smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](C)C1CC2(CC[NH2+]CC2)C1 675070414 537780590 /nfs/dbraw/zinc/78/05/90/537780590.db2.gz XRUYJBMIQJUHQQ-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](C1CC1)C1CC2(CC[NH2+]CC2)C1 675070385 537780840 /nfs/dbraw/zinc/78/08/40/537780840.db2.gz WJEVNBPIHPRTIY-UHFFFAOYSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)[N@@H+](C)C1CC2(CC[NH2+]CC2)C1 675069471 537780855 /nfs/dbraw/zinc/78/08/55/537780855.db2.gz HNNHWYOXAZMOEU-UHFFFAOYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C)C1CC2(CC[NH2+]CC2)C1 675070409 537782254 /nfs/dbraw/zinc/78/22/54/537782254.db2.gz XRAHETNBMYIURJ-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(CC2=C[C@@H]([NH3+])C[NH2+]C2)CCCC1 675076287 537792901 /nfs/dbraw/zinc/79/29/01/537792901.db2.gz AJTTYMUTDYSYIU-LLVKDONJSA-N 2 1 194.322 1.814 10 0 ADAEMP CC1(CC2=C[C@H]([NH3+])C[NH2+]C2)CCCC1 675076289 537794277 /nfs/dbraw/zinc/79/42/77/537794277.db2.gz AJTTYMUTDYSYIU-NSHDSACASA-N 2 1 194.322 1.814 10 0 ADAEMP [NH3+][C@@H]1C=C(C[C@H]2CC=CCC2)C[NH2+]C1 675077393 537800726 /nfs/dbraw/zinc/80/07/26/537800726.db2.gz DGBJDTNAQLMZFT-CMPLNLGQSA-N 2 1 192.306 1.590 10 0 ADAEMP [NH3+][C@H]1C=C(C2CCCCC2)C[NH2+]C1 675077580 537796157 /nfs/dbraw/zinc/79/61/57/537796157.db2.gz OLUQIAAUNUHYPD-NSHDSACASA-N 2 1 180.295 1.424 10 0 ADAEMP CC(C)=CCCC1=C[C@@H]([NH3+])C[NH2+]C1 675077450 537796261 /nfs/dbraw/zinc/79/62/61/537796261.db2.gz FCHZPKUUDGINLO-LLVKDONJSA-N 2 1 180.295 1.590 10 0 ADAEMP CC[C@H](C)[C@@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675077502 537796420 /nfs/dbraw/zinc/79/64/20/537796420.db2.gz FSEMRSBONMSGJU-IQJOONFLSA-N 2 1 182.311 1.526 10 0 ADAEMP CC(C)(C)CCC1=C[C@@H]([NH3+])C[NH2+]C1 675077822 537796548 /nfs/dbraw/zinc/79/65/48/537796548.db2.gz JAQWAFMZBDNDOC-SNVBAGLBSA-N 2 1 182.311 1.670 10 0 ADAEMP CCC(C)(CC)C1=C[C@H]([NH3+])C[NH2+]C1 675077203 537796614 /nfs/dbraw/zinc/79/66/14/537796614.db2.gz APODKVXSDFVVNN-JTQLQIEISA-N 2 1 182.311 1.670 10 0 ADAEMP [NH3+][C@H]1C=C(C[C@@H]2CC=CCC2)C[NH2+]C1 675077395 537796698 /nfs/dbraw/zinc/79/66/98/537796698.db2.gz DGBJDTNAQLMZFT-PWSUYJOCSA-N 2 1 192.306 1.590 10 0 ADAEMP [NH3+][C@@H]1C=C(C2CCCCC2)C[NH2+]C1 675077578 537796719 /nfs/dbraw/zinc/79/67/19/537796719.db2.gz OLUQIAAUNUHYPD-LLVKDONJSA-N 2 1 180.295 1.424 10 0 ADAEMP CC[C@@H](C)CC1=C[C@H]([NH3+])C[NH2+]C1 675078058 537796762 /nfs/dbraw/zinc/79/67/62/537796762.db2.gz LZBXVZARQVDQPG-SCZZXKLOSA-N 2 1 168.284 1.280 10 0 ADAEMP CC[C@H](C)CC1=C[C@@H]([NH3+])C[NH2+]C1 675078061 537796787 /nfs/dbraw/zinc/79/67/87/537796787.db2.gz LZBXVZARQVDQPG-WCBMZHEXSA-N 2 1 168.284 1.280 10 0 ADAEMP CC[C@H](C)[C@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675077501 537796854 /nfs/dbraw/zinc/79/68/54/537796854.db2.gz FSEMRSBONMSGJU-ATZCPNFKSA-N 2 1 182.311 1.526 10 0 ADAEMP [NH3+][C@@H]1C=C(C[C@@H]2CC=CCC2)C[NH2+]C1 675077396 537796949 /nfs/dbraw/zinc/79/69/49/537796949.db2.gz DGBJDTNAQLMZFT-ZYHUDNBSSA-N 2 1 192.306 1.590 10 0 ADAEMP CCC(CC)C1=C[C@@H]([NH3+])C[NH2+]C1 675077945 537797179 /nfs/dbraw/zinc/79/71/79/537797179.db2.gz KJODXZBTZIXZLD-SNVBAGLBSA-N 2 1 168.284 1.280 10 0 ADAEMP [NH3+][C@H]1C=C(CC2=CCCC2)C[NH2+]C1 675077417 537797206 /nfs/dbraw/zinc/79/72/06/537797206.db2.gz DWELAMSLFJCGCE-NSHDSACASA-N 2 1 178.279 1.344 10 0 ADAEMP CC1CCC(C2=C[C@H]([NH3+])C[NH2+]C2)CC1 675077322 537797246 /nfs/dbraw/zinc/79/72/46/537797246.db2.gz CIEUJJCJZUJXHG-CBINBANVSA-N 2 1 194.322 1.670 10 0 ADAEMP CCC(C)(CC)C1=C[C@@H]([NH3+])C[NH2+]C1 675077204 537797535 /nfs/dbraw/zinc/79/75/35/537797535.db2.gz APODKVXSDFVVNN-SNVBAGLBSA-N 2 1 182.311 1.670 10 0 ADAEMP CC[C@H](C)[C@@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675077504 537797758 /nfs/dbraw/zinc/79/77/58/537797758.db2.gz FSEMRSBONMSGJU-NGZCFLSTSA-N 2 1 182.311 1.526 10 0 ADAEMP CC(C)(C)CC1=C[C@H]([NH3+])C[NH2+]C1 675077476 537797852 /nfs/dbraw/zinc/79/78/52/537797852.db2.gz FKBYJYZJYDQGTH-VIFPVBQESA-N 2 1 168.284 1.280 10 0 ADAEMP [NH3+][C@H]1C=C(C[C@H]2CC=CCC2)C[NH2+]C1 675077394 537798076 /nfs/dbraw/zinc/79/80/76/537798076.db2.gz DGBJDTNAQLMZFT-JQWIXIFHSA-N 2 1 192.306 1.590 10 0 ADAEMP CC[C@@H](C)CC1=C[C@@H]([NH3+])C[NH2+]C1 675078055 537798120 /nfs/dbraw/zinc/79/81/20/537798120.db2.gz LZBXVZARQVDQPG-PSASIEDQSA-N 2 1 168.284 1.280 10 0 ADAEMP CC(C)(C)CC1=C[C@@H]([NH3+])C[NH2+]C1 675077475 537798393 /nfs/dbraw/zinc/79/83/93/537798393.db2.gz FKBYJYZJYDQGTH-SECBINFHSA-N 2 1 168.284 1.280 10 0 ADAEMP CC(C)=CCCC1=C[C@H]([NH3+])C[NH2+]C1 675077452 537798699 /nfs/dbraw/zinc/79/86/99/537798699.db2.gz FCHZPKUUDGINLO-NSHDSACASA-N 2 1 180.295 1.590 10 0 ADAEMP CC1CCC(C2=C[C@@H]([NH3+])C[NH2+]C2)CC1 675077325 537798741 /nfs/dbraw/zinc/79/87/41/537798741.db2.gz CIEUJJCJZUJXHG-RTYFJBAXSA-N 2 1 194.322 1.670 10 0 ADAEMP [NH3+][C@H]1C=C(C2CCCC2)C[NH2+]C1 675077957 537798872 /nfs/dbraw/zinc/79/88/72/537798872.db2.gz KUIVGMIQCLHVBY-JTQLQIEISA-N 2 1 166.268 1.034 10 0 ADAEMP [NH3+][C@@H]1C=C(CC2=CCCC2)C[NH2+]C1 675077416 537799034 /nfs/dbraw/zinc/79/90/34/537799034.db2.gz DWELAMSLFJCGCE-LLVKDONJSA-N 2 1 178.279 1.344 10 0 ADAEMP CC[C@H](C)CC1=C[C@H]([NH3+])C[NH2+]C1 675078063 537799200 /nfs/dbraw/zinc/79/92/00/537799200.db2.gz LZBXVZARQVDQPG-WPRPVWTQSA-N 2 1 168.284 1.280 10 0 ADAEMP [NH3+][C@@H]1C=C(C2CCCC2)C[NH2+]C1 675077958 537799679 /nfs/dbraw/zinc/79/96/79/537799679.db2.gz KUIVGMIQCLHVBY-SNVBAGLBSA-N 2 1 166.268 1.034 10 0 ADAEMP [NH3+][C@H]1C=C(C2CCCCCC2)C[NH2+]C1 675077729 537799767 /nfs/dbraw/zinc/79/97/67/537799767.db2.gz HTLBCNBGVLSCAD-LBPRGKRZSA-N 2 1 194.322 1.814 10 0 ADAEMP CC(C)(C)CCC1=C[C@H]([NH3+])C[NH2+]C1 675077821 537800071 /nfs/dbraw/zinc/80/00/71/537800071.db2.gz JAQWAFMZBDNDOC-JTQLQIEISA-N 2 1 182.311 1.670 10 0 ADAEMP [NH3+][C@@H]1C=C(C2CCCCCC2)C[NH2+]C1 675077728 537800288 /nfs/dbraw/zinc/80/02/88/537800288.db2.gz HTLBCNBGVLSCAD-GFCCVEGCSA-N 2 1 194.322 1.814 10 0 ADAEMP CCC(CC)C1=C[C@H]([NH3+])C[NH2+]C1 675077944 537800765 /nfs/dbraw/zinc/80/07/65/537800765.db2.gz KJODXZBTZIXZLD-JTQLQIEISA-N 2 1 168.284 1.280 10 0 ADAEMP [NH3+][C@@H]1C=C(CC2CCCC2)C[NH2+]C1 675078202 537801471 /nfs/dbraw/zinc/80/14/71/537801471.db2.gz NKSNDKIPWHNRCL-LLVKDONJSA-N 2 1 180.295 1.424 10 0 ADAEMP CC(C)C[C@@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675078217 537801818 /nfs/dbraw/zinc/80/18/18/537801818.db2.gz NVHASQZXEIVPAU-MWLCHTKSSA-N 2 1 182.311 1.526 10 0 ADAEMP CC(C)C[C@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675078213 537801847 /nfs/dbraw/zinc/80/18/47/537801847.db2.gz NVHASQZXEIVPAU-GXSJLCMTSA-N 2 1 182.311 1.526 10 0 ADAEMP [NH3+][C@H]1C=C(CC2CCCC2)C[NH2+]C1 675078204 537801876 /nfs/dbraw/zinc/80/18/76/537801876.db2.gz NKSNDKIPWHNRCL-NSHDSACASA-N 2 1 180.295 1.424 10 0 ADAEMP [NH3+][C@@H]1C=C(CCC2CCCC2)C[NH2+]C1 675078438 537801893 /nfs/dbraw/zinc/80/18/93/537801893.db2.gz PQCDAGXIKAFESM-GFCCVEGCSA-N 2 1 194.322 1.814 10 0 ADAEMP [NH3+][C@H]1C=C(CCC2CCCC2)C[NH2+]C1 675078439 537801943 /nfs/dbraw/zinc/80/19/43/537801943.db2.gz PQCDAGXIKAFESM-LBPRGKRZSA-N 2 1 194.322 1.814 10 0 ADAEMP CC(C)C[C@@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675078215 537801990 /nfs/dbraw/zinc/80/19/90/537801990.db2.gz NVHASQZXEIVPAU-KOLCDFICSA-N 2 1 182.311 1.526 10 0 ADAEMP CCC(C)(C)CC1=C[C@@H]([NH3+])C[NH2+]C1 675078208 537802124 /nfs/dbraw/zinc/80/21/24/537802124.db2.gz NKXITHFGGODQJE-SNVBAGLBSA-N 2 1 182.311 1.670 10 0 ADAEMP CCC(C)(C)CC1=C[C@H]([NH3+])C[NH2+]C1 675078206 537802225 /nfs/dbraw/zinc/80/22/25/537802225.db2.gz NKXITHFGGODQJE-JTQLQIEISA-N 2 1 182.311 1.670 10 0 ADAEMP CC(C)C[C@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675078219 537802341 /nfs/dbraw/zinc/80/23/41/537802341.db2.gz NVHASQZXEIVPAU-ONGXEEELSA-N 2 1 182.311 1.526 10 0 ADAEMP CC(C)=C(C)CCC1=C[C@H]([NH3+])C[NH2+]C1 675079444 537803079 /nfs/dbraw/zinc/80/30/79/537803079.db2.gz YWOSKXRGIGDJMO-LBPRGKRZSA-N 2 1 194.322 1.980 10 0 ADAEMP CC(C)=C(C)CCC1=C[C@@H]([NH3+])C[NH2+]C1 675079443 537805811 /nfs/dbraw/zinc/80/58/11/537805811.db2.gz YWOSKXRGIGDJMO-GFCCVEGCSA-N 2 1 194.322 1.980 10 0 ADAEMP CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484164 537813788 /nfs/dbraw/zinc/81/37/88/537813788.db2.gz ZMTRDKWBALXLCY-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC2)C1 37484238 537813901 /nfs/dbraw/zinc/81/39/01/537813901.db2.gz MTMHIKCTBJIZFU-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1ccc([C@@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 685945936 537815035 /nfs/dbraw/zinc/81/50/35/537815035.db2.gz GZXUEZRGARBWOB-RYUDHWBXSA-N 2 1 190.290 1.399 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484282 537815037 /nfs/dbraw/zinc/81/50/37/537815037.db2.gz BXDYRUOBRAILPV-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484284 537815670 /nfs/dbraw/zinc/81/56/70/537815670.db2.gz BXDYRUOBRAILPV-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC2)C1 37484239 537815761 /nfs/dbraw/zinc/81/57/61/537815761.db2.gz MTMHIKCTBJIZFU-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CCC[NH2+]C1CC1)C1CC1 37478548 537815907 /nfs/dbraw/zinc/81/59/07/537815907.db2.gz VZQLQTOACNHZNJ-UHFFFAOYSA-N 2 1 168.284 1.223 10 0 ADAEMP Cc1ccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 685945935 537815962 /nfs/dbraw/zinc/81/59/62/537815962.db2.gz GZXUEZRGARBWOB-NWDGAFQWSA-N 2 1 190.290 1.399 10 0 ADAEMP CC[C@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1 685946372 537816033 /nfs/dbraw/zinc/81/60/33/537816033.db2.gz RLXOZJKCMAMLRV-RYUDHWBXSA-N 2 1 190.290 1.481 10 0 ADAEMP CCC[N@@H+](C)CCC[NH2+]C1CC1 37478564 537816070 /nfs/dbraw/zinc/81/60/70/537816070.db2.gz ULQUEWVLOWRTJB-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(F)c1 685946084 537816133 /nfs/dbraw/zinc/81/61/33/537816133.db2.gz JFHJMWGATGEHDF-GHMZBOCLSA-N 2 1 194.253 1.230 10 0 ADAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1cccc(F)c1 685946086 537816226 /nfs/dbraw/zinc/81/62/26/537816226.db2.gz JFHJMWGATGEHDF-QWRGUYRKSA-N 2 1 194.253 1.230 10 0 ADAEMP CC[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1 685946373 537816308 /nfs/dbraw/zinc/81/63/08/537816308.db2.gz RLXOZJKCMAMLRV-VXGBXAGGSA-N 2 1 190.290 1.481 10 0 ADAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1cccc(F)c1 685946085 537816378 /nfs/dbraw/zinc/81/63/78/537816378.db2.gz JFHJMWGATGEHDF-MNOVXSKESA-N 2 1 194.253 1.230 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C(C)C)C1 37484230 537816422 /nfs/dbraw/zinc/81/64/22/537816422.db2.gz JZXWCHLWWOVGQV-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1 685946370 537816485 /nfs/dbraw/zinc/81/64/85/537816485.db2.gz RLXOZJKCMAMLRV-NEPJUHHUSA-N 2 1 190.290 1.481 10 0 ADAEMP CCC[N@H+](CC)CC[NH2+]C(C)C 37477286 537816524 /nfs/dbraw/zinc/81/65/24/537816524.db2.gz ALMPGFNBIYLWFB-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](CC)CC[NH2+]C(C)C 37477286 537816532 /nfs/dbraw/zinc/81/65/32/537816532.db2.gz ALMPGFNBIYLWFB-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1 685946371 537816799 /nfs/dbraw/zinc/81/67/99/537816799.db2.gz RLXOZJKCMAMLRV-NWDGAFQWSA-N 2 1 190.290 1.481 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 37478484 537816883 /nfs/dbraw/zinc/81/68/83/537816883.db2.gz MZEYWACTKDPXBP-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1ccc([C@H]2C[NH2+]C[C@]2(C)[NH3+])cc1 685945934 537816904 /nfs/dbraw/zinc/81/69/04/537816904.db2.gz GZXUEZRGARBWOB-NEPJUHHUSA-N 2 1 190.290 1.399 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 37478483 537816959 /nfs/dbraw/zinc/81/69/59/537816959.db2.gz MZEYWACTKDPXBP-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1cccc(F)c1 685946087 537816992 /nfs/dbraw/zinc/81/69/92/537816992.db2.gz JFHJMWGATGEHDF-WDEREUQCSA-N 2 1 194.253 1.230 10 0 ADAEMP Cc1ccc([C@H]2C[NH2+]C[C@@]2(C)[NH3+])cc1 685945937 537817405 /nfs/dbraw/zinc/81/74/05/537817405.db2.gz GZXUEZRGARBWOB-VXGBXAGGSA-N 2 1 190.290 1.399 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484285 537817487 /nfs/dbraw/zinc/81/74/87/537817487.db2.gz BXDYRUOBRAILPV-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484162 537817518 /nfs/dbraw/zinc/81/75/18/537817518.db2.gz ZMTRDKWBALXLCY-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[N@@H+](C)CCC[NH2+]C1CC1 37478505 537817850 /nfs/dbraw/zinc/81/78/50/537817850.db2.gz KYHYBGGFLIYZMC-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)C(C)C)C1 37484231 537817922 /nfs/dbraw/zinc/81/79/22/537817922.db2.gz JZXWCHLWWOVGQV-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](C)CCC[NH2+]C1CC1 37478544 537817965 /nfs/dbraw/zinc/81/79/65/537817965.db2.gz NHVUNTHDTNVOFP-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP CCC[N@@H+](CC)CCC[NH2+]C1CC1 37478558 537818081 /nfs/dbraw/zinc/81/80/81/537818081.db2.gz ATQPRCUBJJGXBM-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP Cc1cccc([C@@H]2C[NH2+]C[C@@]2(C)[NH3+])c1 685946747 537818166 /nfs/dbraw/zinc/81/81/66/537818166.db2.gz VPBKWKQRUAMKJO-NWDGAFQWSA-N 2 1 190.290 1.399 10 0 ADAEMP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484165 537818264 /nfs/dbraw/zinc/81/82/64/537818264.db2.gz ZMTRDKWBALXLCY-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484283 537818480 /nfs/dbraw/zinc/81/84/80/537818480.db2.gz BXDYRUOBRAILPV-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccc(F)cc1 685946754 537818572 /nfs/dbraw/zinc/81/85/72/537818572.db2.gz VRHFAOSLGFEOEI-GHMZBOCLSA-N 2 1 194.253 1.230 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(C2=[NH+]CCN2)CC[C@H]1C 685947612 537822396 /nfs/dbraw/zinc/82/23/96/537822396.db2.gz MKLKZKSEEIDEPA-WCABBAIRSA-N 2 1 195.310 1.142 10 0 ADAEMP CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484163 537818628 /nfs/dbraw/zinc/81/86/28/537818628.db2.gz ZMTRDKWBALXLCY-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC1(C)CCC([NH3+])(C2=[NH+]CCN2)CC1 685947429 537818778 /nfs/dbraw/zinc/81/87/78/537818778.db2.gz KINCQSBSKXZJIJ-UHFFFAOYSA-N 2 1 195.310 1.286 10 0 ADAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccc(F)cc1 685946756 537818796 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170.300 1.456 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@H]2C 685953421 537841198 /nfs/dbraw/zinc/84/11/98/537841198.db2.gz GZAYYQATGCWKOG-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC[C@@H]2C 685953420 537841450 /nfs/dbraw/zinc/84/14/50/537841450.db2.gz GZAYYQATGCWKOG-SRVKXCTJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12CCCC[C@H]2C 685953418 537841952 /nfs/dbraw/zinc/84/19/52/537841952.db2.gz GZAYYQATGCWKOG-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[C@@]2(C1)[C@H]([NH3+])CC[N@H+]2C 685954438 537843254 /nfs/dbraw/zinc/84/32/54/537843254.db2.gz MTNAAKHUJQYCGX-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@]2(C1)[C@H]([NH3+])CC[N@H+]2C 685954441 537846556 /nfs/dbraw/zinc/84/65/56/537846556.db2.gz MTNAAKHUJQYCGX-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@]2(C1)[C@@H]([NH3+])CC[N@H+]2C 685954448 537848834 /nfs/dbraw/zinc/84/88/34/537848834.db2.gz MTNAAKHUJQYCGX-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@]2(C1)[C@@H]([NH3+])CC[N@H+]2C 685954444 537849335 /nfs/dbraw/zinc/84/93/35/537849335.db2.gz MTNAAKHUJQYCGX-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@]2(C1)[C@H]([NH3+])CC[N@H+]2C 685955373 537850404 /nfs/dbraw/zinc/85/04/04/537850404.db2.gz YNVRESMXIZPGCA-KXNHARMFSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@]12CCCC(C)(C)C2 685955240 537851172 /nfs/dbraw/zinc/85/11/72/537851172.db2.gz WOFCLPAOZRVVEQ-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCC(C)(C)C2 685955243 537852002 /nfs/dbraw/zinc/85/20/02/537852002.db2.gz WOFCLPAOZRVVEQ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@]12CCCC(C)(C)C2 685955244 537852524 /nfs/dbraw/zinc/85/25/24/537852524.db2.gz WOFCLPAOZRVVEQ-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@]12CCCC(C)(C)C2 685955241 537852881 /nfs/dbraw/zinc/85/28/81/537852881.db2.gz WOFCLPAOZRVVEQ-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@@H](C)CC2(C1)[C@@H]([NH3+])CC[N@H+]2C 685955374 537853176 /nfs/dbraw/zinc/85/31/76/537853176.db2.gz YNVRESMXIZPGCA-MXWKQRLJSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@]2(C1)[C@@H]([NH3+])CC[N@H+]2C 685955375 537853192 /nfs/dbraw/zinc/85/31/92/537853192.db2.gz YNVRESMXIZPGCA-WHOHXGKFSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@@H](C)CC2(C1)[C@H]([NH3+])CC[N@H+]2C 685955372 537853251 /nfs/dbraw/zinc/85/32/51/537853251.db2.gz YNVRESMXIZPGCA-GMTAPVOTSA-N 2 1 196.338 1.844 10 0 ADAEMP CCc1[nH+]ccn1CC(F)(F)C[NH3+] 685956618 537855283 /nfs/dbraw/zinc/85/52/83/537855283.db2.gz HCQMZFRVGNSFLH-UHFFFAOYSA-N 2 1 189.209 1.040 10 0 ADAEMP Cc1cn(CC(F)(F)C[NH3+])c(C)[nH+]1 685956840 537857465 /nfs/dbraw/zinc/85/74/65/537857465.db2.gz LEGFWBUHJDJSFU-UHFFFAOYSA-N 2 1 189.209 1.094 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]CC1CC1 49329691 537860836 /nfs/dbraw/zinc/86/08/36/537860836.db2.gz NBNVPIJBJPZQKZ-UHFFFAOYSA-N 2 1 179.267 1.191 10 0 ADAEMP CC(C)[NH2+]CCCc1[nH+]ccn1C 70639314 537864008 /nfs/dbraw/zinc/86/40/08/537864008.db2.gz GXMGZHHPSUJLMN-UHFFFAOYSA-N 2 1 181.283 1.351 10 0 ADAEMP C[C@H]1CCC[N@H+](C2(C)CC[NH2+]CC2)C1 685961830 537865769 /nfs/dbraw/zinc/86/57/69/537865769.db2.gz WRXAKQFVQDMIFE-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCC[N@H+](C2(C)CC[NH2+]CC2)C1 685961828 537866753 /nfs/dbraw/zinc/86/67/53/537866753.db2.gz WRXAKQFVQDMIFE-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1ccccc1[C@@H]1C[NH2+]C[C@]1(C)[NH3+] 685965531 537875723 /nfs/dbraw/zinc/87/57/23/537875723.db2.gz IIMXVCRWNPIAJE-RYUDHWBXSA-N 2 1 190.290 1.399 10 0 ADAEMP Cc1ccccc1[C@H]1C[NH2+]C[C@@]1(C)[NH3+] 685965532 537876860 /nfs/dbraw/zinc/87/68/60/537876860.db2.gz IIMXVCRWNPIAJE-VXGBXAGGSA-N 2 1 190.290 1.399 10 0 ADAEMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1F 685965948 537877176 /nfs/dbraw/zinc/87/71/76/537877176.db2.gz ZXKZSJOVTZDVEQ-ONGXEEELSA-N 2 1 194.253 1.230 10 0 ADAEMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1F 685965945 537877258 /nfs/dbraw/zinc/87/72/58/537877258.db2.gz ZXKZSJOVTZDVEQ-GXSJLCMTSA-N 2 1 194.253 1.230 10 0 ADAEMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1F 685965947 537877473 /nfs/dbraw/zinc/87/74/73/537877473.db2.gz ZXKZSJOVTZDVEQ-MWLCHTKSSA-N 2 1 194.253 1.230 10 0 ADAEMP Cc1ccccc1[C@@H]1C[NH2+]C[C@@]1(C)[NH3+] 685965530 537877644 /nfs/dbraw/zinc/87/76/44/537877644.db2.gz IIMXVCRWNPIAJE-NWDGAFQWSA-N 2 1 190.290 1.399 10 0 ADAEMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1F 685965946 537877858 /nfs/dbraw/zinc/87/78/58/537877858.db2.gz ZXKZSJOVTZDVEQ-KOLCDFICSA-N 2 1 194.253 1.230 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C3CC3)CC[C@@H]21 80217260 537878065 /nfs/dbraw/zinc/87/80/65/537878065.db2.gz JTMRDSIVPQDEQL-ADEWGFFLSA-N 2 1 194.322 1.598 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C3CC3)CC[C@H]12 80217267 537878559 /nfs/dbraw/zinc/87/85/59/537878559.db2.gz JTMRDSIVPQDEQL-ZMLRMANQSA-N 2 1 194.322 1.598 10 0 ADAEMP Cc1ccccc1[C@H]1C[NH2+]C[C@]1(C)[NH3+] 685965529 537878598 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YUFVYALGKDEKFV-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@H]1C[C@@H]2CCCC[N@H+]2C1 725242002 537892864 /nfs/dbraw/zinc/89/28/64/537892864.db2.gz ZPIPTWNXECEKJQ-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[NH2+][C@@H]1C[C@@H]2CCCC[N@H+]2C1 725242004 537892927 /nfs/dbraw/zinc/89/29/27/537892927.db2.gz ZPIPTWNXECEKJQ-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 725241988 537893162 /nfs/dbraw/zinc/89/31/62/537893162.db2.gz YUFVYALGKDEKFV-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)C[NH2+][C@@H]1C[C@H]2CCCC[N@@H+]2C1 725241762 537893203 /nfs/dbraw/zinc/89/32/03/537893203.db2.gz OZIPBEWQWJEAFP-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 725241762 537893207 /nfs/dbraw/zinc/89/32/07/537893207.db2.gz OZIPBEWQWJEAFP-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+][C@@H]1C[C@H]2CCCC[N@H+]2C1 725241844 537893479 /nfs/dbraw/zinc/89/34/79/537893479.db2.gz SEQVGCMSWCTWPK-GHMZBOCLSA-N 2 1 182.311 1.611 10 0 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537919064 /nfs/dbraw/zinc/91/90/64/537919064.db2.gz PYZHHPLDVKXMJX-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[N@H+]1CC[C@H]2CC[NH2+]C[C@@H]21 725255412 537919376 /nfs/dbraw/zinc/91/93/76/537919376.db2.gz PYZHHPLDVKXMJX-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CC[NH2+]C[C@@H]21 725255478 537922087 /nfs/dbraw/zinc/92/20/87/537922087.db2.gz UBOUSVNQJPFSSO-UWVGGRQHSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2CC[NH2+]C[C@@H]21 725255481 537922245 /nfs/dbraw/zinc/92/22/45/537922245.db2.gz UBOUSVNQJPFSSO-ZJUUUORDSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2CC[NH2+]C[C@H]21 725255477 537922377 /nfs/dbraw/zinc/92/23/77/537922377.db2.gz UBOUSVNQJPFSSO-NXEZZACHSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CC[NH2+]C[C@H]21 725255479 537922982 /nfs/dbraw/zinc/92/29/82/537922982.db2.gz UBOUSVNQJPFSSO-VHSXEESVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[NH2+]C[C@@H]1CCc2[nH+]c[nH]c2C1 725268962 537928392 /nfs/dbraw/zinc/92/83/92/537928392.db2.gz IKQNBXJKAHXCCD-MRVPVSSYSA-N 2 1 179.267 1.124 10 0 ADAEMP CCC[N@H+]1CCCCC[NH2+]CCC1 725262230 537928881 /nfs/dbraw/zinc/92/88/81/537928881.db2.gz HAUPKLKRRBVBHM-UHFFFAOYSA-N 2 1 184.327 1.862 10 0 ADAEMP CC[NH2+]C[C@H]1CCc2[nH+]c[nH]c2C1 725268963 537928996 /nfs/dbraw/zinc/92/89/96/537928996.db2.gz IKQNBXJKAHXCCD-QMMMGPOBSA-N 2 1 179.267 1.124 10 0 ADAEMP CC[N@H+]1CCCCCC[NH2+]CCC1 725262404 537929174 /nfs/dbraw/zinc/92/91/74/537929174.db2.gz QPAUEFVKEAZZCC-UHFFFAOYSA-N 2 1 184.327 1.862 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CCc2[nH+]c[nH]c2C1 725269715 537930123 /nfs/dbraw/zinc/93/01/23/537930123.db2.gz XQMHPPGSBSPHAL-VIFPVBQESA-N 2 1 193.294 1.513 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CCc2[nH+]c[nH]c2C1 725269714 537930249 /nfs/dbraw/zinc/93/02/49/537930249.db2.gz XQMHPPGSBSPHAL-SECBINFHSA-N 2 1 193.294 1.513 10 0 ADAEMP CC[N@H+]1CCCCC[NH2+]CCC1 725262413 537930720 /nfs/dbraw/zinc/93/07/20/537930720.db2.gz NCVPMXIARZKUAE-UHFFFAOYSA-N 2 1 170.300 1.472 10 0 ADAEMP CC(C)[N@@H+](C)C1CCC2(CC1)C[C@@H]2[NH3+] 725270142 537931650 /nfs/dbraw/zinc/93/16/50/537931650.db2.gz HRSKHLUAFRLKHY-CXQJBGSLSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[N@@H+](C)C1CCC2(CC1)C[C@H]2[NH3+] 725270143 537933116 /nfs/dbraw/zinc/93/31/16/537933116.db2.gz HRSKHLUAFRLKHY-MOENNCHZSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[N@@H+](C)CCC1C[C@@H]2CC[C@H](C1)[NH2+]2 86573164 537934655 /nfs/dbraw/zinc/93/46/55/537934655.db2.gz ZEXMZLFKPKBVGA-YOGCLGLASA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C12CCC(C)(C)CC2 107187113 537956889 /nfs/dbraw/zinc/95/68/89/537956889.db2.gz JZMXDNOGGKYVSM-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C12CCC(C)(C)CC2 107187115 537957121 /nfs/dbraw/zinc/95/71/21/537957121.db2.gz JZMXDNOGGKYVSM-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[NH2+]CC1([NH+](C)C)CCCC1 105954713 537957588 /nfs/dbraw/zinc/95/75/88/537957588.db2.gz DPBZDHCPFWYUQO-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C 107170974 537957646 /nfs/dbraw/zinc/95/76/46/537957646.db2.gz GZDJUXVPLCHDEM-YVNMAJEFSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C 107170972 537957848 /nfs/dbraw/zinc/95/78/48/537957848.db2.gz GZDJUXVPLCHDEM-HSOILSAZSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C12CCCCCC2 107170966 537959388 /nfs/dbraw/zinc/95/93/88/537959388.db2.gz DBYDXSWFOKCGRX-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C12CCCCCC2 107170968 537959810 /nfs/dbraw/zinc/95/98/10/537959810.db2.gz DBYDXSWFOKCGRX-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CC[N@@H+]1C 156073372 538011769 /nfs/dbraw/zinc/01/17/69/538011769.db2.gz JSJVBEQUBFFFAB-GMTAPVOTSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC2(C)C)CC[N@H+]1C 156073372 538011781 /nfs/dbraw/zinc/01/17/81/538011781.db2.gz JSJVBEQUBFFFAB-GMTAPVOTSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 156083658 538011838 /nfs/dbraw/zinc/01/18/38/538011838.db2.gz IHSFMLQXQNHMHC-KKOKHZNYSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CC[N@@H+]1C 156073611 538014413 /nfs/dbraw/zinc/01/44/13/538014413.db2.gz JSJVBEQUBFFFAB-OUAUKWLOSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC2(C)C)CC[N@H+]1C 156073611 538014418 /nfs/dbraw/zinc/01/44/18/538014418.db2.gz JSJVBEQUBFFFAB-OUAUKWLOSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[N@@H+](C)Cc1cc(F)cc(C[NH3+])c1 162822295 538076814 /nfs/dbraw/zinc/07/68/14/538076814.db2.gz WULZBSDRQKRLGZ-UHFFFAOYSA-N 2 1 196.269 1.736 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]C1CC(C)C1 166628028 538160859 /nfs/dbraw/zinc/16/08/59/538160859.db2.gz ODYVHMRVJRWAKF-UHFFFAOYSA-N 2 1 193.294 1.580 10 0 ADAEMP C[NH2+]CCC[N@@H+](C(C)C)C1CC1 201324107 538184979 /nfs/dbraw/zinc/18/49/79/538184979.db2.gz FRDSCMAZTNEUFN-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP Cc1nc(N[C@H](C)C[NH3+])c(C)c(C)[nH+]1 211510667 538188061 /nfs/dbraw/zinc/18/80/61/538188061.db2.gz FXVOLWTZEGSPPJ-ZCFIWIBFSA-N 2 1 194.282 1.161 10 0 ADAEMP Cc1nc(NCCC[NH3+])c(C)c(C)[nH+]1 211513511 538189131 /nfs/dbraw/zinc/18/91/31/538189131.db2.gz MELYXBCZXZQBNW-UHFFFAOYSA-N 2 1 194.282 1.163 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C)[C@@H](C)C1 223151133 538197091 /nfs/dbraw/zinc/19/70/91/538197091.db2.gz OSPROMHOHDWJAF-FIQHERPVSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[NH2+][C@H](C)C[N@H+](C)C(C)C 238153306 538251602 /nfs/dbraw/zinc/25/16/02/538251602.db2.gz GWPTVLFNYQUJKU-SNVBAGLBSA-N 2 1 172.316 1.713 10 0 ADAEMP CC(C)[NH2+][C@H](C)C[N@@H+](C)C(C)C 238153306 538251610 /nfs/dbraw/zinc/25/16/10/538251610.db2.gz GWPTVLFNYQUJKU-SNVBAGLBSA-N 2 1 172.316 1.713 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 252100374 538266757 /nfs/dbraw/zinc/26/67/57/538266757.db2.gz IHSFMLQXQNHMHC-RHYQMDGZSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 252100373 538267288 /nfs/dbraw/zinc/26/72/88/538267288.db2.gz IHSFMLQXQNHMHC-KXNHARMFSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C(C)C)C1 252439035 538268152 /nfs/dbraw/zinc/26/81/52/538268152.db2.gz JZXWCHLWWOVGQV-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C(C)C)C1 252439036 538268414 /nfs/dbraw/zinc/26/84/14/538268414.db2.gz JZXWCHLWWOVGQV-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 252100375 538268623 /nfs/dbraw/zinc/26/86/23/538268623.db2.gz IHSFMLQXQNHMHC-WYUUTHIRSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C2CC2)C1 252439300 538269165 /nfs/dbraw/zinc/26/91/65/538269165.db2.gz MTMHIKCTBJIZFU-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)C2CC2)C1 252439301 538269515 /nfs/dbraw/zinc/26/95/15/538269515.db2.gz MTMHIKCTBJIZFU-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)[C@@H](C)C1 252713271 538270388 /nfs/dbraw/zinc/27/03/88/538270388.db2.gz OSPROMHOHDWJAF-NOOOWODRSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C)[C@H](C)C1 252713272 538272533 /nfs/dbraw/zinc/27/25/33/538272533.db2.gz OSPROMHOHDWJAF-WISYIIOYSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CC[NH2+][C@H](C)C1 252964686 538284782 /nfs/dbraw/zinc/28/47/82/538284782.db2.gz WSDCGVVBLQMADT-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CC[NH2+][C@H](C)C1 252964688 538285248 /nfs/dbraw/zinc/28/52/48/538285248.db2.gz WSDCGVVBLQMADT-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC1CCC([NH3+])(C2=[NH+]CCN2)CC1 306254676 538301453 /nfs/dbraw/zinc/30/14/53/538301453.db2.gz ULALOHOKLAEHCB-UHFFFAOYSA-N 2 1 195.310 1.286 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H](C)CC(C)C 379325594 538347352 /nfs/dbraw/zinc/34/73/52/538347352.db2.gz CZXPAOODRHPHKH-NXEZZACHSA-N 2 1 172.316 1.619 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H](C)CC(C)C 379325596 538347901 /nfs/dbraw/zinc/34/79/01/538347901.db2.gz CZXPAOODRHPHKH-VHSXEESVSA-N 2 1 172.316 1.619 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)CC(C)C 379325595 538348581 /nfs/dbraw/zinc/34/85/81/538348581.db2.gz CZXPAOODRHPHKH-UWVGGRQHSA-N 2 1 172.316 1.619 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H](C)CC(C)C 379325597 538348922 /nfs/dbraw/zinc/34/89/22/538348922.db2.gz CZXPAOODRHPHKH-ZJUUUORDSA-N 2 1 172.316 1.619 10 0 ADAEMP C[NH+](C)CCC[NH2+]CC1(F)CC1 379337581 538353715 /nfs/dbraw/zinc/35/37/15/538353715.db2.gz YEGMRZOLGYYPQA-UHFFFAOYSA-N 2 1 174.263 1.030 10 0 ADAEMP C[NH+](C)C1CC[NH+](CCCF)CC1 379401192 538392415 /nfs/dbraw/zinc/39/24/15/538392415.db2.gz KHSBDKPSTZOCRS-UHFFFAOYSA-N 2 1 188.290 1.372 10 0 ADAEMP CC(C)(C)C[NH2+]CCC[NH+]1CCC1 379405538 538398740 /nfs/dbraw/zinc/39/87/40/538398740.db2.gz UGJZRETWZSGWSY-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 379410094 538403210 /nfs/dbraw/zinc/40/32/10/538403210.db2.gz FKWUDPGAEMBVMX-GHMZBOCLSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 379410096 538403337 /nfs/dbraw/zinc/40/33/37/538403337.db2.gz FKWUDPGAEMBVMX-QWRGUYRKSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 379410095 538405006 /nfs/dbraw/zinc/40/50/06/538405006.db2.gz FKWUDPGAEMBVMX-MNOVXSKESA-N 2 1 184.327 1.668 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 379410097 538405251 /nfs/dbraw/zinc/40/52/51/538405251.db2.gz FKWUDPGAEMBVMX-WDEREUQCSA-N 2 1 184.327 1.668 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]CC1(F)CC1 379659206 538426845 /nfs/dbraw/zinc/42/68/45/538426845.db2.gz OFTXSVSZRQAHQY-UHFFFAOYSA-N 2 1 197.257 1.283 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1C 389293270 538440230 /nfs/dbraw/zinc/44/02/30/538440230.db2.gz IWCZARDGJAQTGB-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1C[C@H]1C 389293262 538440378 /nfs/dbraw/zinc/44/03/78/538440378.db2.gz IWCZARDGJAQTGB-IJLUTSLNSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H]1C[C@@H]1C 389293263 538440636 /nfs/dbraw/zinc/44/06/36/538440636.db2.gz IWCZARDGJAQTGB-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](C)Cc1cncc(C[NH3+])c1 669379011 538444902 /nfs/dbraw/zinc/44/49/02/538444902.db2.gz SCANOTHKNALYHR-UHFFFAOYSA-N 2 1 193.294 1.382 10 0 ADAEMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 669378749 538444924 /nfs/dbraw/zinc/44/49/24/538444924.db2.gz LEKJUVRHAXRXBH-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 669378750 538444857 /nfs/dbraw/zinc/44/48/57/538444857.db2.gz LEKJUVRHAXRXBH-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 669378390 538444863 /nfs/dbraw/zinc/44/48/63/538444863.db2.gz CQKFJSNMPVLDJV-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CCCC[NH2+]C1 669378391 538444896 /nfs/dbraw/zinc/44/48/96/538444896.db2.gz CQKFJSNMPVLDJV-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+](Cc1cncc(C[NH3+])c1)C1CC1 669379158 538445064 /nfs/dbraw/zinc/44/50/64/538445064.db2.gz VCSMSFIYWYUXRD-UHFFFAOYSA-N 2 1 191.278 1.135 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 669378953 538445157 /nfs/dbraw/zinc/44/51/57/538445157.db2.gz QGZPQYSOMKDEPK-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 669378954 538445190 /nfs/dbraw/zinc/44/51/90/538445190.db2.gz QGZPQYSOMKDEPK-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CC(C)[N@@H+](C)Cc1cncc(C[NH3+])c1 669379163 538445258 /nfs/dbraw/zinc/44/52/58/538445258.db2.gz VFKPSVAFMHABKL-UHFFFAOYSA-N 2 1 193.294 1.381 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[C@H]([NH3+])CCC[C@H]2C1 669382200 538445594 /nfs/dbraw/zinc/44/55/94/538445594.db2.gz IPVABTIOBZPKAI-SDDRHHMPSA-N 2 1 196.338 1.844 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C3CC3)CC[C@H]21 669382305 538445599 /nfs/dbraw/zinc/44/55/99/538445599.db2.gz JTMRDSIVPQDEQL-YUSALJHKSA-N 2 1 194.322 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@H]2C1 669382202 538445587 /nfs/dbraw/zinc/44/55/87/538445587.db2.gz IPVABTIOBZPKAI-SRVKXCTJSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@@H](C[NH+]2CCCC2)[NH2+]1 669381736 538445683 /nfs/dbraw/zinc/44/56/83/538445683.db2.gz UBOUEGXXBCMWPL-WOPDTQHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H](C[NH+]2CCCC2)[NH2+][C@H](C)C1 669381735 538445827 /nfs/dbraw/zinc/44/58/27/538445827.db2.gz UBOUEGXXBCMWPL-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@H](C[NH+]2CCCC2)[NH2+]1 669381733 538445916 /nfs/dbraw/zinc/44/59/16/538445916.db2.gz UBOUEGXXBCMWPL-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 669382203 538445946 /nfs/dbraw/zinc/44/59/46/538445946.db2.gz IPVABTIOBZPKAI-WOPDTQHZSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@@H](C)[NH2+][C@@H](C[NH+]2CCCC2)C1 669381734 538445953 /nfs/dbraw/zinc/44/59/53/538445953.db2.gz UBOUEGXXBCMWPL-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[C@H](CCC[C@H]2[NH3+])C1 669382198 538445990 /nfs/dbraw/zinc/44/59/90/538445990.db2.gz IPVABTIOBZPKAI-GRYCIOLGSA-N 2 1 196.338 1.844 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C3CC3)CC[C@@H]12 669382304 538446044 /nfs/dbraw/zinc/44/60/44/538446044.db2.gz JTMRDSIVPQDEQL-MVWJERBFSA-N 2 1 194.322 1.598 10 0 ADAEMP CC[N@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@H]2C1 669382858 538446217 /nfs/dbraw/zinc/44/62/17/538446217.db2.gz MVIUWRRFLNBOOB-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@H+]1CC[C@@H]2[C@H]([NH3+])CCC[C@H]2C1 669382860 538446245 /nfs/dbraw/zinc/44/62/45/538446245.db2.gz MVIUWRRFLNBOOB-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@H+]1CC[C@H]2[C@H](CCC[C@H]2[NH3+])C1 669382862 538446392 /nfs/dbraw/zinc/44/63/92/538446392.db2.gz MVIUWRRFLNBOOB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 669382864 538446683 /nfs/dbraw/zinc/44/66/83/538446683.db2.gz MVIUWRRFLNBOOB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 675053413 538447948 /nfs/dbraw/zinc/44/79/48/538447948.db2.gz KASYZDTYNLLDHC-DDHJBXDOSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 675053414 538447929 /nfs/dbraw/zinc/44/79/29/538447929.db2.gz KASYZDTYNLLDHC-USZNOCQGSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCC[C@@H](C[NH3+])C1 675053378 538447979 /nfs/dbraw/zinc/44/79/79/538447979.db2.gz JDCVRUWPIXAONB-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCC[C@H](C[NH3+])C1 675053381 538447994 /nfs/dbraw/zinc/44/79/94/538447994.db2.gz JDCVRUWPIXAONB-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@@H](C[NH3+])C1 675053777 538448035 /nfs/dbraw/zinc/44/80/35/538448035.db2.gz LIBFMQVTSMXFMZ-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[C@H](C[NH3+])C1 675053070 538448067 /nfs/dbraw/zinc/44/80/67/538448067.db2.gz FORKBFDUKLFIBB-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[C@H](C[NH3+])C1 675053068 538448077 /nfs/dbraw/zinc/44/80/77/538448077.db2.gz FORKBFDUKLFIBB-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H]1C[C@H]([NH3+])C1 675053485 538448094 /nfs/dbraw/zinc/44/80/94/538448094.db2.gz KZMLDNHSZIZLTC-CDECOKDKSA-N 2 1 196.338 1.987 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1C[C@H]([NH3+])C1 675052829 538448115 /nfs/dbraw/zinc/44/81/15/538448115.db2.gz AMXATGDFYLFXNI-KYZUINATSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCC[C@H](C[NH3+])C1 675053380 538448145 /nfs/dbraw/zinc/44/81/45/538448145.db2.gz JDCVRUWPIXAONB-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCC[C@@H](C[NH3+])C1 675053379 538448226 /nfs/dbraw/zinc/44/82/26/538448226.db2.gz JDCVRUWPIXAONB-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@H](C[NH3+])C1 675053771 538448242 /nfs/dbraw/zinc/44/82/42/538448242.db2.gz LIBFMQVTSMXFMZ-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@H](C[NH3+])C1 675054288 538448495 /nfs/dbraw/zinc/44/84/95/538448495.db2.gz QZYKQKUQFGMFDX-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@H]1C 675053412 538448254 /nfs/dbraw/zinc/44/82/54/538448254.db2.gz KASYZDTYNLLDHC-BJDJZHNGSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 675053415 538448257 /nfs/dbraw/zinc/44/82/57/538448257.db2.gz KASYZDTYNLLDHC-WRWGMCAJSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[C@@H](C[NH3+])C1 675053066 538448314 /nfs/dbraw/zinc/44/83/14/538448314.db2.gz FORKBFDUKLFIBB-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC[C@H](C[NH3+])C1 675053772 538448343 /nfs/dbraw/zinc/44/83/43/538448343.db2.gz LIBFMQVTSMXFMZ-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[C@@H](C[NH3+])C1 675053060 538448347 /nfs/dbraw/zinc/44/83/47/538448347.db2.gz FORKBFDUKLFIBB-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1C[C@H]([NH3+])C1 675053784 538448371 /nfs/dbraw/zinc/44/83/71/538448371.db2.gz LKFUUEAWZDVOMZ-MGCOHNPYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC[C@@H](C[NH3+])C1 675053768 538448374 /nfs/dbraw/zinc/44/83/74/538448374.db2.gz LIBFMQVTSMXFMZ-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC[C@H](C[NH3+])C1 675054280 538448800 /nfs/dbraw/zinc/44/88/00/538448800.db2.gz QZYKQKUQFGMFDX-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC[C@@H](C[NH3+])C1 675054286 538449023 /nfs/dbraw/zinc/44/90/23/538449023.db2.gz QZYKQKUQFGMFDX-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@@H](C[NH3+])C1 675054284 538448988 /nfs/dbraw/zinc/44/89/88/538448988.db2.gz QZYKQKUQFGMFDX-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CCC2(CC1)C[NH2+]C[C@H]2[NH3+] 675062972 538450236 /nfs/dbraw/zinc/45/02/36/538450236.db2.gz VPDWKVIZMDDUSV-HWOCKDDLSA-N 2 1 168.284 1.113 10 0 ADAEMP CCCC1(CCC)C[NH2+]C[C@@H]1[NH3+] 675062831 538450251 /nfs/dbraw/zinc/45/02/51/538450251.db2.gz QOVMEMXDJSADRF-VIFPVBQESA-N 2 1 170.300 1.504 10 0 ADAEMP CCC1CCC2(CC1)C[NH2+]C[C@@H]2[NH3+] 675063057 538450337 /nfs/dbraw/zinc/45/03/37/538450337.db2.gz XVBKSBQKWPDSQS-YVNMAJEFSA-N 2 1 182.311 1.504 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@]2(C[NH2+]C[C@H]2[NH3+])C1 675062908 538450345 /nfs/dbraw/zinc/45/03/45/538450345.db2.gz UPGLTJQMGAHTGA-LMLFDSFASA-N 2 1 182.311 1.359 10 0 ADAEMP [NH3+][C@@H]1C[NH2+]CC12CCC(F)(F)CC2 675063064 538450377 /nfs/dbraw/zinc/45/03/77/538450377.db2.gz YFVRGGUWMODHLO-SSDOTTSWSA-N 2 1 190.237 1.113 10 0 ADAEMP CCCC1(CCC)C[NH2+]C[C@H]1[NH3+] 675062830 538450429 /nfs/dbraw/zinc/45/04/29/538450429.db2.gz QOVMEMXDJSADRF-SECBINFHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC1(C)CCC2(CC1)C[NH2+]C[C@@H]2[NH3+] 675062734 538450595 /nfs/dbraw/zinc/45/05/95/538450595.db2.gz NFZSOPUJCNIDCG-VIFPVBQESA-N 2 1 182.311 1.504 10 0 ADAEMP CCC1CCC2(CC1)C[NH2+]C[C@H]2[NH3+] 675063055 538450716 /nfs/dbraw/zinc/45/07/16/538450716.db2.gz XVBKSBQKWPDSQS-HSOILSAZSA-N 2 1 182.311 1.504 10 0 ADAEMP CC1CCC2(CC1)C[NH2+]C[C@@H]2[NH3+] 675062973 538450765 /nfs/dbraw/zinc/45/07/65/538450765.db2.gz VPDWKVIZMDDUSV-KYHHOPLUSA-N 2 1 168.284 1.113 10 0 ADAEMP C[C@@H]1C[C@@H](C)CC2(C[NH2+]C[C@H]2[NH3+])C1 675062910 538450768 /nfs/dbraw/zinc/45/07/68/538450768.db2.gz UPGLTJQMGAHTGA-OPRDCNLKSA-N 2 1 182.311 1.359 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@]2(C[NH2+]C[C@@H]2[NH3+])C1 675062911 538450779 /nfs/dbraw/zinc/45/07/79/538450779.db2.gz UPGLTJQMGAHTGA-VLEAKVRGSA-N 2 1 182.311 1.359 10 0 ADAEMP CC1(C)CCC2(CC1)C[NH2+]C[C@H]2[NH3+] 675062733 538450787 /nfs/dbraw/zinc/45/07/87/538450787.db2.gz NFZSOPUJCNIDCG-SECBINFHSA-N 2 1 182.311 1.504 10 0 ADAEMP C[C@@H]1C[C@@H](C)CC2(C[NH2+]C[C@@H]2[NH3+])C1 675062903 538450789 /nfs/dbraw/zinc/45/07/89/538450789.db2.gz UPGLTJQMGAHTGA-BBBLOLIVSA-N 2 1 182.311 1.359 10 0 ADAEMP [NH3+][C@H]1C[NH2+]CC12CCC(F)(F)CC2 675063066 538450792 /nfs/dbraw/zinc/45/07/92/538450792.db2.gz YFVRGGUWMODHLO-ZETCQYMHSA-N 2 1 190.237 1.113 10 0 ADAEMP CCC[NH2+]CC[N@H+]1C[C@H]2CCC[C@H]2C1 126148734 541305182 /nfs/dbraw/zinc/30/51/82/541305182.db2.gz YMLWNUUOFGSHOW-TXEJJXNPSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[NH2+]CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126148734 541305188 /nfs/dbraw/zinc/30/51/88/541305188.db2.gz YMLWNUUOFGSHOW-TXEJJXNPSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[NH2+]CC[NH+]1C[C@H]2CCC[C@@H]2C1 126148925 541305211 /nfs/dbraw/zinc/30/52/11/541305211.db2.gz YMLWNUUOFGSHOW-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[NH2+]CC[NH+]1C[C@@H]2CCC[C@H]2C1 126149160 541305221 /nfs/dbraw/zinc/30/52/21/541305221.db2.gz YMLWNUUOFGSHOW-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 216037814 541316769 /nfs/dbraw/zinc/31/67/69/541316769.db2.gz FQDJGWXKUQAZCK-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C 216252489 541317209 /nfs/dbraw/zinc/31/72/09/541317209.db2.gz SKONJNPVIMQPCM-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 379372149 541338247 /nfs/dbraw/zinc/33/82/47/541338247.db2.gz UZNGETBXDNWEEA-GXSJLCMTSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 379372157 541338284 /nfs/dbraw/zinc/33/82/84/541338284.db2.gz UZNGETBXDNWEEA-ONGXEEELSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 379372151 541338555 /nfs/dbraw/zinc/33/85/55/541338555.db2.gz UZNGETBXDNWEEA-MWLCHTKSSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 379372150 541338826 /nfs/dbraw/zinc/33/88/26/541338826.db2.gz UZNGETBXDNWEEA-KOLCDFICSA-N 2 1 184.327 1.748 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCC(C)CC2 606271794 541347406 /nfs/dbraw/zinc/34/74/06/541347406.db2.gz YKUSDLDWITXTBC-MOENNCHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C 606271654 541347446 /nfs/dbraw/zinc/34/74/46/541347446.db2.gz HGNPNBFLWLXCIB-CXQJBGSLSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C 606271656 541347467 /nfs/dbraw/zinc/34/74/67/541347467.db2.gz HGNPNBFLWLXCIB-MOENNCHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCCC2 606257676 541347644 /nfs/dbraw/zinc/34/76/44/541347644.db2.gz ZHECKWGFTYLHGE-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCC(C)CC2 606271793 541347764 /nfs/dbraw/zinc/34/77/64/541347764.db2.gz YKUSDLDWITXTBC-CXQJBGSLSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@@H+]1CC[C@]2(CCCC[NH2+]2)C1 204533230 757030901 /nfs/dbraw/zinc/03/09/01/757030901.db2.gz MWHNUEVKKWUXHZ-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CCCC[NH2+]2)C1 204533230 757030906 /nfs/dbraw/zinc/03/09/06/757030906.db2.gz MWHNUEVKKWUXHZ-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@]2(CCCC[NH2+]2)C1 204533246 757031107 /nfs/dbraw/zinc/03/11/07/757031107.db2.gz MWHNUEVKKWUXHZ-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CCCC[NH2+]2)C1 204533246 757031111 /nfs/dbraw/zinc/03/11/11/757031111.db2.gz MWHNUEVKKWUXHZ-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@@H](CC)CCc1[nH+]ccn1C 70642164 571716456 /nfs/dbraw/zinc/71/64/56/571716456.db2.gz FFFCFFWHXJUEKV-JTQLQIEISA-N 2 1 195.310 1.741 10 0 ADAEMP C[N@@H+](CCCF)C[C@H]1C[C@@H]([NH3+])C1 716797639 674026242 /nfs/dbraw/zinc/02/62/42/674026242.db2.gz DPTVJFJDOJIDKQ-DTORHVGOSA-N 2 1 174.263 1.015 10 0 ADAEMP C[N@@H+](CCCF)C[C@@H]1CC[C@H]([NH3+])C1 716806428 674026293 /nfs/dbraw/zinc/02/62/93/674026293.db2.gz QNLGENWUQDBTPF-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+](C)CCCF 716747830 674026309 /nfs/dbraw/zinc/02/63/09/674026309.db2.gz MYRQCETZPZGBPO-JTQLQIEISA-N 2 1 190.306 1.651 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCCF 716747830 674026310 /nfs/dbraw/zinc/02/63/10/674026310.db2.gz MYRQCETZPZGBPO-JTQLQIEISA-N 2 1 190.306 1.651 10 0 ADAEMP CCC[NH+]1CCC([NH+]2CCC2)CC1 306717255 757071777 /nfs/dbraw/zinc/07/17/77/757071777.db2.gz UXNVZHHSKRJVRL-UHFFFAOYSA-N 2 1 182.311 1.567 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCF 716771610 674026345 /nfs/dbraw/zinc/02/63/45/674026345.db2.gz CFSZPDPHNIGVDO-ZJUUUORDSA-N 2 1 188.290 1.133 10 0 ADAEMP 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1 184.327 1.846 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@](C)([NH3+])C1 405808809 757222182 /nfs/dbraw/zinc/22/21/82/757222182.db2.gz SGZKVETXRMBIPS-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](CCC2CC2)C1 405844894 757222250 /nfs/dbraw/zinc/22/22/50/757222250.db2.gz ZHLKDHGJBQKWCI-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@@](C)([NH3+])C1 405827653 757223391 /nfs/dbraw/zinc/22/33/91/757223391.db2.gz RNAPONPLQMEFFY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@H]2CC=CCC2)C1 405808242 757224124 /nfs/dbraw/zinc/22/41/24/757224124.db2.gz XHRNGNFBIFGZKH-NWDGAFQWSA-N 2 1 194.322 1.766 10 0 ADAEMP CC(C)(C)CC[N@H+]1CC[C@](C)([NH3+])C1 405787236 757224974 /nfs/dbraw/zinc/22/49/74/757224974.db2.gz JOCSUHCPQZPUHQ-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)C1CCCC1 82801219 572115586 /nfs/dbraw/zinc/11/55/86/572115586.db2.gz XTYRRGAZFICOSQ-ZJUUUORDSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](C[C@H]2CC=CCC2)C1 405808245 757225308 /nfs/dbraw/zinc/22/53/08/757225308.db2.gz XHRNGNFBIFGZKH-RYUDHWBXSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2CC=CCC2)C1 405808238 757225463 /nfs/dbraw/zinc/22/54/63/757225463.db2.gz XHRNGNFBIFGZKH-NEPJUHHUSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801457 572115593 /nfs/dbraw/zinc/11/55/93/572115593.db2.gz GWHRBSCWODVZIZ-GUBZILKMSA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)CCC[N@H+]1CC[C@@](C)([NH3+])C1 405784007 757226356 /nfs/dbraw/zinc/22/63/56/757226356.db2.gz INHMPDBBOILJKG-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801251 572115604 /nfs/dbraw/zinc/11/56/04/572115604.db2.gz NLNSREVBGLVXJS-NXEZZACHSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](CCC2CCCC2)C1 405766227 757228604 /nfs/dbraw/zinc/22/86/04/757228604.db2.gz XZPJPEKVMVQTJA-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@](C)([NH3+])C1 405808811 757228711 /nfs/dbraw/zinc/22/87/11/757228711.db2.gz SGZKVETXRMBIPS-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@](C)([NH3+])C1 405809120 757228791 /nfs/dbraw/zinc/22/87/91/757228791.db2.gz SGZKVETXRMBIPS-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCCC[N@H+]1CC[C@@](C)([NH3+])C1 405803242 757229109 /nfs/dbraw/zinc/22/91/09/757229109.db2.gz QJKUCVPJYQJAPE-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@](C)([NH3+])C1 405827648 757229890 /nfs/dbraw/zinc/22/98/90/757229890.db2.gz RNAPONPLQMEFFY-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)CCC[N@H+]1CC[C@](C)([NH3+])C1 405784365 757230073 /nfs/dbraw/zinc/23/00/73/757230073.db2.gz INHMPDBBOILJKG-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC1(C)C[N@H+](CCCC2CC2)C[C@H]1[NH3+] 405966341 757230426 /nfs/dbraw/zinc/23/04/26/757230426.db2.gz RUFVEJMUKNPQPO-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[N@@H+](CCCC2CC2)C[C@H]1[NH3+] 405966341 757230442 /nfs/dbraw/zinc/23/04/42/757230442.db2.gz RUFVEJMUKNPQPO-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](CCC2CC2)C1 405844892 757230966 /nfs/dbraw/zinc/23/09/66/757230966.db2.gz ZHLKDHGJBQKWCI-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP CCC(CC)C[N@H+]1CC[C@](C)([NH3+])C1 405825015 757231173 /nfs/dbraw/zinc/23/11/73/757231173.db2.gz YYRFGSDZZJBHKD-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[C@](CC)(C[NH3+])[NH2+]C 68988352 572012567 /nfs/dbraw/zinc/01/25/67/572012567.db2.gz NOQCMLCSTHNCFT-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CC[C@](C)([NH3+])C1 405827655 757231828 /nfs/dbraw/zinc/23/18/28/757231828.db2.gz RNAPONPLQMEFFY-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC1(C)C[N@H+](CCCC2CC2)C[C@@H]1[NH3+] 405966345 757232012 /nfs/dbraw/zinc/23/20/12/757232012.db2.gz RUFVEJMUKNPQPO-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[N@@H+](CCCC2CC2)C[C@@H]1[NH3+] 405966345 757232044 /nfs/dbraw/zinc/23/20/44/757232044.db2.gz RUFVEJMUKNPQPO-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CC[C@@](C)([NH3+])C1 405827646 757232418 /nfs/dbraw/zinc/23/24/18/757232418.db2.gz RNAPONPLQMEFFY-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](CC)CC1CC1 68947271 572012640 /nfs/dbraw/zinc/01/26/40/572012640.db2.gz GEVMLOLQNHITQJ-JTQLQIEISA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2CC=CCC2)C1 405808249 757233368 /nfs/dbraw/zinc/23/33/68/757233368.db2.gz XHRNGNFBIFGZKH-VXGBXAGGSA-N 2 1 194.322 1.766 10 0 ADAEMP CCCCCC[N@H+]1CC[C@](C)([NH3+])C1 405803246 757233506 /nfs/dbraw/zinc/23/35/06/757233506.db2.gz QJKUCVPJYQJAPE-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](CCC2CCCC2)C1 405766229 757233860 /nfs/dbraw/zinc/23/38/60/757233860.db2.gz XZPJPEKVMVQTJA-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](CC2CCCCC2)C1 405768461 757234904 /nfs/dbraw/zinc/23/49/04/757234904.db2.gz YXBPJFCGLMANPF-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[N@H+]1CC[C@H](C)[NH2+]C[C@H]1C 250204296 572016132 /nfs/dbraw/zinc/01/61/32/572016132.db2.gz BTLWLSSPGYMINO-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])[C@@H](C)CC(C)C 300886331 572016459 /nfs/dbraw/zinc/01/64/59/572016459.db2.gz JKXFMTAAOASDDQ-IUCAKERBSA-N 2 1 158.289 1.215 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[NH3+] 300373524 572143751 /nfs/dbraw/zinc/14/37/51/572143751.db2.gz AOCILMLAJDMTEI-YIZRAAEISA-N 2 1 156.273 1.112 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C(C)C 300385096 572149307 /nfs/dbraw/zinc/14/93/07/572149307.db2.gz NBQMPMZGYBNFGC-ZJUUUORDSA-N 2 1 170.300 1.373 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@@H](C)CC(C)C 300888930 572023420 /nfs/dbraw/zinc/02/34/20/572023420.db2.gz JQVNGGFLMXLDQD-VHSXEESVSA-N 2 1 172.316 1.605 10 0 ADAEMP CCC[N@@H+](CCCC[NH3+])CC1CC1 35452199 572023434 /nfs/dbraw/zinc/02/34/34/572023434.db2.gz YERLNUVPORDGCQ-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP CCCC[C@@H]([NH3+])C[NH+]1CCCCC1 37480872 572154204 /nfs/dbraw/zinc/15/42/04/572154204.db2.gz BUQIRWLZQZKPTN-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCSC1 35725199 572034992 /nfs/dbraw/zinc/03/49/92/572034992.db2.gz MQULXIRVRUZTMB-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]CC1CC1 300388970 572154232 /nfs/dbraw/zinc/15/42/32/572154232.db2.gz RMFTVODAGKKQOL-MNOVXSKESA-N 2 1 182.311 1.374 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH3+])C1 36169012 572039478 /nfs/dbraw/zinc/03/94/78/572039478.db2.gz AFYKSCUSDLLWNJ-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H]1CCC[N@@H+](CCC(N)=[NH2+])C1 36169789 572041169 /nfs/dbraw/zinc/04/11/69/572041169.db2.gz ROIHVKCPAVJHNZ-VIFPVBQESA-N 2 1 183.299 1.434 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560375 572047685 /nfs/dbraw/zinc/04/76/85/572047685.db2.gz XRDUHXBOVFBBAV-VHSXEESVSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560385 572048441 /nfs/dbraw/zinc/04/84/41/572048441.db2.gz CEISZUHGDAMUEB-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560447 572048456 /nfs/dbraw/zinc/04/84/56/572048456.db2.gz FXOCHWYPCPNZCY-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 82560372 572048476 /nfs/dbraw/zinc/04/84/76/572048476.db2.gz AOQUFHWWOSNJLP-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560439 572048493 /nfs/dbraw/zinc/04/84/93/572048493.db2.gz CPJCWWBNYBDBPQ-NHCYSSNCSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccco1 82560521 572048512 /nfs/dbraw/zinc/04/85/12/572048512.db2.gz RIYZVEPIDQJPRS-VHSXEESVSA-N 2 1 194.278 1.225 10 0 ADAEMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 642822976 757263690 /nfs/dbraw/zinc/26/36/90/757263690.db2.gz SKIZBDTZVZSMQR-DTORHVGOSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560368 572048519 /nfs/dbraw/zinc/04/85/19/572048519.db2.gz XSWXNDAYOPIEQU-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP CCOCC[N@@H+](CC)CC[C@H](C)[NH3+] 82537047 572053146 /nfs/dbraw/zinc/05/31/46/572053146.db2.gz WBAYJKXFBBKDAV-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@@H+](CCC[NH2+]C(C)(C)C)C1CC1 37482933 572156710 /nfs/dbraw/zinc/15/67/10/572156710.db2.gz RTXYKIBHNYUOKO-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)C(C)C 36678255 572058062 /nfs/dbraw/zinc/05/80/62/572058062.db2.gz UGLQREJNCOPBRS-MRVPVSSYSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@H](C)C1 36677977 572058417 /nfs/dbraw/zinc/05/84/17/572058417.db2.gz XNAZLZUETNNZFN-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1CCC[NH3+] 82596795 572058844 /nfs/dbraw/zinc/05/88/44/572058844.db2.gz KUGBKRXQAKMLRR-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CCCC[C@@H]1C 36677933 572058849 /nfs/dbraw/zinc/05/88/49/572058849.db2.gz LSBRHUYWXAKBFT-VHSXEESVSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)C(C)C 36678254 572058857 /nfs/dbraw/zinc/05/88/57/572058857.db2.gz UGLQREJNCOPBRS-QMMMGPOBSA-N 2 1 171.288 1.431 10 0 ADAEMP Cc1ccc2c(c1)C[C@]([NH3+])(C[NH3+])CC2 34180044 572062411 /nfs/dbraw/zinc/06/24/11/572062411.db2.gz FECPQDXTBCXMNG-LBPRGKRZSA-N 2 1 190.290 1.140 10 0 ADAEMP CC[N@H+]1CC[NH2+]CCC12CCC2 642852672 757271267 /nfs/dbraw/zinc/27/12/67/757271267.db2.gz SSEFEEXWAUQKPE-UHFFFAOYSA-N 2 1 168.284 1.224 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@H]2C=CCC2)C1 711658503 572062447 /nfs/dbraw/zinc/06/24/47/572062447.db2.gz YZSRSDZRGHLDIR-NWDGAFQWSA-N 2 1 194.322 1.494 10 0 ADAEMP CCN(CCC[NH3+])c1ccc(C)c[nH+]1 36731733 572062458 /nfs/dbraw/zinc/06/24/58/572062458.db2.gz SWNXHCAPIQCUKU-UHFFFAOYSA-N 2 1 193.294 1.565 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@@H+](C)CCC 37480951 572156736 /nfs/dbraw/zinc/15/67/36/572156736.db2.gz PPHGHVNTONFRTE-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)Cc1cccnc1 36771064 572067295 /nfs/dbraw/zinc/06/72/95/572067295.db2.gz STNAGWIFOXIWCA-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP CC[C@H](C[N@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648502 572067298 /nfs/dbraw/zinc/06/72/98/572067298.db2.gz YCBIDYIOTVMTER-GARJFASQSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1cccnc1 36771064 572067299 /nfs/dbraw/zinc/06/72/99/572067299.db2.gz STNAGWIFOXIWCA-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP CC[C@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648502 572067300 /nfs/dbraw/zinc/06/73/00/572067300.db2.gz YCBIDYIOTVMTER-GARJFASQSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)CC[C@@H](C)[NH3+] 36785261 572067305 /nfs/dbraw/zinc/06/73/05/572067305.db2.gz JGYWLZGEULZNDN-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC1CC[NH2+]CC1 82648651 572067793 /nfs/dbraw/zinc/06/77/93/572067793.db2.gz BOOYPYGKRHZMHP-ZYHUDNBSSA-N 2 1 196.338 1.574 10 0 ADAEMP CCC(CC)[N@@H+](C)CC[C@@H](C)[NH3+] 36789036 572067824 /nfs/dbraw/zinc/06/78/24/572067824.db2.gz XMNIAVPOZGJDEE-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+](C)Cc1ccccn1 36777111 572067865 /nfs/dbraw/zinc/06/78/65/572067865.db2.gz JFBQRUKVTIFAIW-SNVBAGLBSA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccccn1 36777111 572067868 /nfs/dbraw/zinc/06/78/68/572067868.db2.gz JFBQRUKVTIFAIW-SNVBAGLBSA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)Cc1ccncc1 36775834 572067876 /nfs/dbraw/zinc/06/78/76/572067876.db2.gz KXEUXRMOAATFFO-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1ccncc1 36775834 572067879 /nfs/dbraw/zinc/06/78/79/572067879.db2.gz KXEUXRMOAATFFO-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)[C@@H](C)C1CC1 36785545 572067886 /nfs/dbraw/zinc/06/78/86/572067886.db2.gz TUVIQVTWYQUNAT-WCBMZHEXSA-N 2 1 197.326 1.821 10 0 ADAEMP CCC(CC)[N@H+](C)C[C@@H](N)CC 36872100 572069328 /nfs/dbraw/zinc/06/93/28/572069328.db2.gz DYRDTHPILDBXNM-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP CCC(CC)N(C)C[C@@H]([NH3+])CC 36872100 572069330 /nfs/dbraw/zinc/06/93/30/572069330.db2.gz DYRDTHPILDBXNM-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+](C)C[C@@H]1C[C@H]1C 82648283 572069334 /nfs/dbraw/zinc/06/93/34/572069334.db2.gz DCVGJHUDCSLXSK-BBBLOLIVSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+](C)C[C@@H]1C[C@H]1C 82648283 572069336 /nfs/dbraw/zinc/06/93/36/572069336.db2.gz DCVGJHUDCSLXSK-BBBLOLIVSA-N 2 1 170.300 1.182 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 36790517 572069341 /nfs/dbraw/zinc/06/93/41/572069341.db2.gz MORSOXQBUNXWOY-ZJUUUORDSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1CC 82647062 572069368 /nfs/dbraw/zinc/06/93/68/572069368.db2.gz SKKQJUPIRCOORK-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1CC 82647062 572069374 /nfs/dbraw/zinc/06/93/74/572069374.db2.gz SKKQJUPIRCOORK-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CCCC(N)=[NH2+] 36790829 572069375 /nfs/dbraw/zinc/06/93/75/572069375.db2.gz LICARDBJEODWGX-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648408 572069378 /nfs/dbraw/zinc/06/93/78/572069378.db2.gz NRHDALLRFXKLNQ-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)C[C@H]1C[C@@H]1C 82650348 572072948 /nfs/dbraw/zinc/07/29/48/572072948.db2.gz NMYJEMSJIZKQJZ-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 642871727 757283680 /nfs/dbraw/zinc/28/36/80/757283680.db2.gz VIAZUTGTKYOARM-RNFRBKRXSA-N 2 1 196.216 1.075 10 0 ADAEMP CC[N@@H+](C)CCCCCC[NH3+] 37079005 572080443 /nfs/dbraw/zinc/08/04/43/572080443.db2.gz FBDUZJOYBNMUHM-UHFFFAOYSA-N 2 1 158.289 1.457 10 0 ADAEMP CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 642871728 757285865 /nfs/dbraw/zinc/28/58/65/757285865.db2.gz VIAZUTGTKYOARM-RQJHMYQMSA-N 2 1 196.216 1.075 10 0 ADAEMP CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484547 572164822 /nfs/dbraw/zinc/16/48/22/572164822.db2.gz ZWTOVTZICNQIND-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH3+])[C@@H](C(F)(F)F)C1 642871725 757288024 /nfs/dbraw/zinc/28/80/24/757288024.db2.gz VIAZUTGTKYOARM-BQBZGAKWSA-N 2 1 196.216 1.075 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)CC 37078997 572083437 /nfs/dbraw/zinc/08/34/37/572083437.db2.gz GLQSEZYVLUJTCP-DTWKUNHWSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)CC 37078997 572083440 /nfs/dbraw/zinc/08/34/40/572083440.db2.gz GLQSEZYVLUJTCP-DTWKUNHWSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 642871726 757290213 /nfs/dbraw/zinc/29/02/13/757290213.db2.gz VIAZUTGTKYOARM-NKWVEPMBSA-N 2 1 196.216 1.075 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](CC)CC[NH3+] 37094522 572083978 /nfs/dbraw/zinc/08/39/78/572083978.db2.gz QXJWYELRRJWFHS-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CCCc1[nH+]ccn1CCC[C@@H](C)[NH3+] 69963604 572164848 /nfs/dbraw/zinc/16/48/48/572164848.db2.gz NAOPDFPAKYMUFA-SNVBAGLBSA-N 2 1 195.310 1.963 10 0 ADAEMP CC[N@@H+](CCCC(N)=[NH2+])C1CC1 37080113 572085263 /nfs/dbraw/zinc/08/52/63/572085263.db2.gz UGMJWQKMJYXZQE-UHFFFAOYSA-N 2 1 169.272 1.187 10 0 ADAEMP CC1(C)CC[NH2+][C@H](C[NH+]2CCCC2)C1 34491494 572085279 /nfs/dbraw/zinc/08/52/79/572085279.db2.gz SQXJEKDZJTWUNC-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1CCCC(N)=[NH2+] 37083453 572086168 /nfs/dbraw/zinc/08/61/68/572086168.db2.gz JKLSKLCAVMKWLI-JTQLQIEISA-N 2 1 197.326 1.967 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+](C)C1CC1 37081280 572087749 /nfs/dbraw/zinc/08/77/49/572087749.db2.gz LDSXKIUYJAJRCS-WCBMZHEXSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)C1CC1 37081280 572087750 /nfs/dbraw/zinc/08/77/50/572087750.db2.gz LDSXKIUYJAJRCS-WCBMZHEXSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)C1CCCC1 37092852 572088210 /nfs/dbraw/zinc/08/82/10/572088210.db2.gz NKFXLYMXJYVAGX-SECBINFHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1CCCC(N)=[NH2+] 37083452 572088224 /nfs/dbraw/zinc/08/82/24/572088224.db2.gz JKLSKLCAVMKWLI-SNVBAGLBSA-N 2 1 197.326 1.967 10 0 ADAEMP CCC[N@@H+](CCCC[NH3+])C(C)C 37095667 572088661 /nfs/dbraw/zinc/08/86/61/572088661.db2.gz FPNRPDKXKAUPCC-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP C[N@@H+](CC1CC1)CC1CC([NH3+])C1 84984771 572088721 /nfs/dbraw/zinc/08/87/21/572088721.db2.gz RXEHANBMRQBTCI-UHFFFAOYSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[N@@H+]1C[C@@H](C)C[C@@H]([NH2+]CC)C1 249947297 572197205 /nfs/dbraw/zinc/19/72/05/572197205.db2.gz HUBFZPKBIGVODM-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1C[C@@H](C)C[C@@H]([NH2+]CC)C1 249947297 572197207 /nfs/dbraw/zinc/19/72/07/572197207.db2.gz HUBFZPKBIGVODM-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)CC(C)C 37108654 572092612 /nfs/dbraw/zinc/09/26/12/572092612.db2.gz ARHPOAGMFFKYSZ-VIFPVBQESA-N 2 1 185.315 1.679 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 686979942 757311916 /nfs/dbraw/zinc/31/19/16/757311916.db2.gz KTQNKLPJOLIMQH-JTQLQIEISA-N 2 1 184.327 1.763 10 0 ADAEMP CC(C)C[N@@H+](C)CCCC(N)=[NH2+] 37108661 572092649 /nfs/dbraw/zinc/09/26/49/572092649.db2.gz YJUGIWVUFGFZET-UHFFFAOYSA-N 2 1 171.288 1.290 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 686979943 757315956 /nfs/dbraw/zinc/31/59/56/757315956.db2.gz KTQNKLPJOLIMQH-SNVBAGLBSA-N 2 1 184.327 1.763 10 0 ADAEMP CC(C)c1[nH+]ccn1CCCC[NH3+] 20030348 572208629 /nfs/dbraw/zinc/20/86/29/572208629.db2.gz USYBPKPVKXREEE-UHFFFAOYSA-N 2 1 181.283 1.745 10 0 ADAEMP CC1(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 687297971 757316237 /nfs/dbraw/zinc/31/62/37/757316237.db2.gz OZHCVCYVZHMWFA-CMPLNLGQSA-N 2 1 194.322 1.328 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@@H](C)[NH3+] 37108383 572100483 /nfs/dbraw/zinc/10/04/83/572100483.db2.gz PYHZEOGERLMPLW-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H](C)C[NH2+]C 82763223 572100549 /nfs/dbraw/zinc/10/05/49/572100549.db2.gz IZUZBGRASFYEHP-JTQLQIEISA-N 2 1 195.310 1.691 10 0 ADAEMP CC[NH2+]C[C@@H](C)Cc1[nH+]ccn1CC 82763518 572101362 /nfs/dbraw/zinc/10/13/62/572101362.db2.gz NADBNGONTACEHC-JTQLQIEISA-N 2 1 195.310 1.691 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CCC(N)=[NH2+] 37173363 572103308 /nfs/dbraw/zinc/10/33/08/572103308.db2.gz JZFIDIXUFROWCG-QMMMGPOBSA-N 2 1 171.288 1.290 10 0 ADAEMP C[C@@H](C[NH2+]C1(C[NH3+])CC1)C1CC1 235136766 572103434 /nfs/dbraw/zinc/10/34/34/572103434.db2.gz IQMIPFUVNCIFPA-QMMMGPOBSA-N 2 1 168.284 1.113 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CCCC[NH3+] 37172420 572103447 /nfs/dbraw/zinc/10/34/47/572103447.db2.gz XKOQLSKXZDSSMC-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 37173355 572103458 /nfs/dbraw/zinc/10/34/58/572103458.db2.gz IYNMPAAYCCSNFJ-DTWKUNHWSA-N 2 1 185.315 1.536 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CCC(N)=[NH2+] 37173362 572103970 /nfs/dbraw/zinc/10/39/70/572103970.db2.gz JZFIDIXUFROWCG-MRVPVSSYSA-N 2 1 171.288 1.290 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCC(C)(C)[NH3+] 82772965 572108243 /nfs/dbraw/zinc/10/82/43/572108243.db2.gz LVKIUZSKQMMOED-SECBINFHSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 300388908 572156097 /nfs/dbraw/zinc/15/60/97/572156097.db2.gz REARLXKIZVVIKZ-VWYCJHECSA-N 2 1 182.311 1.517 10 0 ADAEMP CC(C)C[NH2+]Cc1c[nH+]ccc1N 69845836 572149996 /nfs/dbraw/zinc/14/99/96/572149996.db2.gz JPDSTWPKDNHEHJ-UHFFFAOYSA-N 2 1 179.267 1.409 10 0 ADAEMP CC[C@H](C)[C@H]([NH2+]C)c1c[nH+]ccc1N 69845729 572150021 /nfs/dbraw/zinc/15/00/21/572150021.db2.gz OUXCUJJODBWVGE-KWQFWETISA-N 2 1 193.294 1.970 10 0 ADAEMP CC(C)[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479164 572154264 /nfs/dbraw/zinc/15/42/64/572154264.db2.gz ZCJJHFGHRGGKCY-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CCC[C@@H]([NH2+]CC[NH3+])[C@@H]1C 82858735 572156060 /nfs/dbraw/zinc/15/60/60/572156060.db2.gz PEMHJYKYFXFDKF-IVZWLZJFSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)[NH2+]CCCc1[nH]cc[nH+]1 37483042 572156063 /nfs/dbraw/zinc/15/60/63/572156063.db2.gz NEFQPTJNWXJBOK-UHFFFAOYSA-N 2 1 167.256 1.340 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@@H+](C)CC 37480917 572156785 /nfs/dbraw/zinc/15/67/85/572156785.db2.gz ZSGRWGGANMLLHT-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1C[C@H](C)C2(CC2)[C@@H](C)C1 251764689 572628358 /nfs/dbraw/zinc/62/83/58/572628358.db2.gz UNBUABYFLWVYMI-DCAQKATOSA-N 2 1 196.338 1.702 10 0 ADAEMP CCCC[C@@H]([NH3+])C[NH+]1CCCC1 37480776 572156806 /nfs/dbraw/zinc/15/68/06/572156806.db2.gz VANBWVXUGASTOG-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1[NH2+]CC[C@@H]1C 300389560 572156817 /nfs/dbraw/zinc/15/68/17/572156817.db2.gz SDGKFAYTGKWQJD-ZRUFSTJUSA-N 2 1 182.311 1.373 10 0 ADAEMP CCC[N@@H+](C)C[C@@](C)([NH3+])C1CC1 37479217 572156835 /nfs/dbraw/zinc/15/68/35/572156835.db2.gz VXPDDDSPHQLQFB-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C[C@@](C)([NH3+])C1CC1)C1CC1 37479215 572156857 /nfs/dbraw/zinc/15/68/57/572156857.db2.gz JRLDMLIXKKWBSW-GFCCVEGCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C1CC1 69941502 572161696 /nfs/dbraw/zinc/16/16/96/572161696.db2.gz UHQMRNLEFSJLLO-LLVKDONJSA-N 2 1 191.278 1.204 10 0 ADAEMP CCC[NH2+][C@@H](C)Cc1cc[nH+]c(N)c1 69942283 572161735 /nfs/dbraw/zinc/16/17/35/572161735.db2.gz HELAJISHNMRHSN-VIFPVBQESA-N 2 1 193.294 1.594 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484250 572161784 /nfs/dbraw/zinc/16/17/84/572161784.db2.gz HCHLWOIZVUZLTL-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP CCCc1[nH+]ccn1CCC(N)=[NH2+] 69964219 572162774 /nfs/dbraw/zinc/16/27/74/572162774.db2.gz PTLHXLFJYLHFJP-UHFFFAOYSA-N 2 1 180.255 1.162 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H]([NH3+])C1CC1 69963676 572162789 /nfs/dbraw/zinc/16/27/89/572162789.db2.gz VJYDKGQHRRZFDG-SNVBAGLBSA-N 2 1 193.294 1.573 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H]([NH3+])CC 69963571 572164101 /nfs/dbraw/zinc/16/41/01/572164101.db2.gz BHLNSVQPYRJITP-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCC(C)C)C1 37484209 572164136 /nfs/dbraw/zinc/16/41/36/572164136.db2.gz SRUFXORJRQWHRO-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CCCc1[nH+]ccn1CCCC[NH3+] 69963324 572164150 /nfs/dbraw/zinc/16/41/50/572164150.db2.gz MKYQEPAXGNEMFS-UHFFFAOYSA-N 2 1 181.283 1.575 10 0 ADAEMP CC[C@@H]1C[C@@H]1NC[C@H]1CCCC[NH2+]1 300393252 572164161 /nfs/dbraw/zinc/16/41/61/572164161.db2.gz XLIZBBRIIIOIIU-MXWKQRLJSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300393252 572164165 /nfs/dbraw/zinc/16/41/65/572164165.db2.gz XLIZBBRIIIOIIU-MXWKQRLJSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[C@@H]1C[C@@H]1NC[C@@H]1CCCC[NH2+]1 300393253 572164171 /nfs/dbraw/zinc/16/41/71/572164171.db2.gz XLIZBBRIIIOIIU-VWYCJHECSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 300393253 572164173 /nfs/dbraw/zinc/16/41/73/572164173.db2.gz XLIZBBRIIIOIIU-VWYCJHECSA-N 2 1 182.311 1.517 10 0 ADAEMP C[NH2+]CCC[N@H+]1CCCCC[C@@H]1C 69944780 572164241 /nfs/dbraw/zinc/16/42/41/572164241.db2.gz KMJVQWSBVOUMFB-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C[NH3+])C(C)C 69964796 572164262 /nfs/dbraw/zinc/16/42/62/572164262.db2.gz OCZCKKQJPBVGCC-JTQLQIEISA-N 2 1 195.310 1.991 10 0 ADAEMP CCC[NH2+]CCn1cc[nH+]c1CCC 69963698 572164304 /nfs/dbraw/zinc/16/43/04/572164304.db2.gz PNXKALSIFSHSMI-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCCC[C@@H]1C 70045474 572165373 /nfs/dbraw/zinc/16/53/73/572165373.db2.gz QMNNIIACZKGONH-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 300393594 572166276 /nfs/dbraw/zinc/16/62/76/572166276.db2.gz YBMKZZUIXHEOOM-UTLUCORTSA-N 2 1 168.284 1.127 10 0 ADAEMP CCC[NH2+][C@@](CC)(C[NH3+])C1CC1 83057359 572192466 /nfs/dbraw/zinc/19/24/66/572192466.db2.gz WDDUPXZLPPWKKY-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C)NC[C@H]1C 249885899 572195400 /nfs/dbraw/zinc/19/54/00/572195400.db2.gz QAYKOQNQFBOSOM-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CCC1CC1)C[C@H]1C[C@@H]([NH3+])C1 693577927 757389885 /nfs/dbraw/zinc/38/98/85/757389885.db2.gz 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1 184.327 1.857 10 0 ADAEMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 693586037 757398066 /nfs/dbraw/zinc/39/80/66/757398066.db2.gz PYMBMDLLJSHDOG-AOOOYVTPSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CC(C)(C)C1 693595600 757398525 /nfs/dbraw/zinc/39/85/25/757398525.db2.gz IVQAAFAESHAIJL-AOOOYVTPSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 693592257 757398580 /nfs/dbraw/zinc/39/85/80/757398580.db2.gz PGLVJQVHNNEWKD-MXWKQRLJSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 693592805 757398730 /nfs/dbraw/zinc/39/87/30/757398730.db2.gz RIPKAPVGFPDLKW-GARJFASQSA-N 2 1 184.327 1.700 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CC3)C2)C1 693617925 757398844 /nfs/dbraw/zinc/39/88/44/757398844.db2.gz UXKDMTCKRPAFDE-JLLWLGSASA-N 2 1 194.322 1.456 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 693592911 757398929 /nfs/dbraw/zinc/39/89/29/757398929.db2.gz TZWXNJDMZHZGHF-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 693586361 757399006 /nfs/dbraw/zinc/39/90/06/757399006.db2.gz TUIGTGCMTKZFHG-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@H]1C[C@@H]([NH3+])C1 693585531 757399211 /nfs/dbraw/zinc/39/92/11/757399211.db2.gz LNVBVMAHGXTRST-PHIMTYICSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 83392706 572208167 /nfs/dbraw/zinc/20/81/67/572208167.db2.gz TZKSTOMVEVQQHX-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 693584937 757399295 /nfs/dbraw/zinc/39/92/95/757399295.db2.gz FMAMIZURLIWEHX-WISYIIOYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H]1[C@@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 693584940 757399329 /nfs/dbraw/zinc/39/93/29/757399329.db2.gz FMAMIZURLIWEHX-YFKTTZPYSA-N 2 1 196.338 1.844 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](C3CC3)C2)C1 693617928 757399469 /nfs/dbraw/zinc/39/94/69/757399469.db2.gz UXKDMTCKRPAFDE-ZMLRMANQSA-N 2 1 194.322 1.456 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 693591700 757399500 /nfs/dbraw/zinc/39/95/00/757399500.db2.gz KDPFBXOWPOOMLJ-PHIMTYICSA-N 2 1 184.327 1.702 10 0 ADAEMP CCCC[N@@H+](CC)C[C@H]1C[C@@H]([NH3+])C1 693590525 757399541 /nfs/dbraw/zinc/39/95/41/757399541.db2.gz BMOMHWRLDHIQJN-PHIMTYICSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H]1[C@@H]([NH2+]C)CC[N@H+]1C(C)C 711953323 572208668 /nfs/dbraw/zinc/20/86/68/572208668.db2.gz SMUDYSAGVUZZBZ-WDEREUQCSA-N 2 1 184.327 1.857 10 0 ADAEMP CCC1CCC(C[NH3+])([NH2+]C)CC1 50269936 572874958 /nfs/dbraw/zinc/87/49/58/572874958.db2.gz PBEYEFJJIBUHRF-UHFFFAOYSA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83392704 572208756 /nfs/dbraw/zinc/20/87/56/572208756.db2.gz TZKSTOMVEVQQHX-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP CCCCCC[N@H+]1CC2CC1(C[NH3+])C2 694563482 757403280 /nfs/dbraw/zinc/40/32/80/757403280.db2.gz GYCGFCPGRHYTLR-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCCC3(CC3)C2)C1 695072475 757403450 /nfs/dbraw/zinc/40/34/50/757403450.db2.gz FSTNGHSPOQVYHZ-PHIMTYICSA-N 2 1 194.322 1.600 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 234415544 572209135 /nfs/dbraw/zinc/20/91/35/572209135.db2.gz QLROXUBNCHRCCQ-BXXZLRJFSA-N 2 1 182.311 1.492 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 234415544 572209136 /nfs/dbraw/zinc/20/91/36/572209136.db2.gz QLROXUBNCHRCCQ-BXXZLRJFSA-N 2 1 182.311 1.492 10 0 ADAEMP [NH3+]CC12CC(C[N@H+]1CCCC1CC1)C2 694603030 757404077 /nfs/dbraw/zinc/40/40/77/757404077.db2.gz GXTLIRCMWKJSDQ-UHFFFAOYSA-N 2 1 194.322 1.600 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@H](C)CC[NH3+] 41042544 572209949 /nfs/dbraw/zinc/20/99/49/572209949.db2.gz QZBZLIHYMZVVIL-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725345 572210885 /nfs/dbraw/zinc/21/08/85/572210885.db2.gz MDPOFZBVUHQLKW-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)[C@@H](C)CC[NH3+] 41042560 572210913 /nfs/dbraw/zinc/21/09/13/572210913.db2.gz FDQYMHHAPNVQAI-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@H+]1CCC2(CC2)C1 400018657 572210951 /nfs/dbraw/zinc/21/09/51/572210951.db2.gz BGLYEINCTJLFHE-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)[C@@H](C)CC[NH3+] 41042595 572211307 /nfs/dbraw/zinc/21/13/07/572211307.db2.gz DUJRYFQSCZZDCW-ZJUUUORDSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)Cc1ccoc1 86312204 572914002 /nfs/dbraw/zinc/91/40/02/572914002.db2.gz VPUOXCINYNXDST-VHSXEESVSA-N 2 1 196.294 1.695 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CC[C@H](C)C1 43908424 572236624 /nfs/dbraw/zinc/23/66/24/572236624.db2.gz GRZDRGKEIMUMLJ-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584299 572236642 /nfs/dbraw/zinc/23/66/42/572236642.db2.gz NCCIPLSJUJNUQV-QWRGUYRKSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584299 572236644 /nfs/dbraw/zinc/23/66/44/572236644.db2.gz NCCIPLSJUJNUQV-QWRGUYRKSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+]([C@H](C)CC)C1 70584296 572236653 /nfs/dbraw/zinc/23/66/53/572236653.db2.gz XIQMBOCSRMYYBD-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+]([C@H](C)CC)C1 70584296 572236654 /nfs/dbraw/zinc/23/66/54/572236654.db2.gz XIQMBOCSRMYYBD-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@@H+]1CCC[C@@H]([NH2+]CC)C1 70584762 572237040 /nfs/dbraw/zinc/23/70/40/572237040.db2.gz MWVTYYVGKHZINM-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]([NH2+]CC)C1 70584762 572237042 /nfs/dbraw/zinc/23/70/42/572237042.db2.gz MWVTYYVGKHZINM-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 697038372 757430120 /nfs/dbraw/zinc/43/01/20/757430120.db2.gz CGSBSWKGGUXQTH-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 697038263 757422241 /nfs/dbraw/zinc/42/22/41/757422241.db2.gz BFYSGMMVTPFNGR-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585106 572237074 /nfs/dbraw/zinc/23/70/74/572237074.db2.gz AGMYBEWXOXMXPW-CABZTGNLSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 697039708 757422462 /nfs/dbraw/zinc/42/24/62/757422462.db2.gz GPUPMSXUZKRZJH-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585106 572237076 /nfs/dbraw/zinc/23/70/76/572237076.db2.gz AGMYBEWXOXMXPW-CABZTGNLSA-N 2 1 194.322 1.611 10 0 ADAEMP CCCC[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86409875 572933806 /nfs/dbraw/zinc/93/38/06/572933806.db2.gz ZXSOYGBWHSHTNG-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@H]1CC 37913211 572237132 /nfs/dbraw/zinc/23/71/32/572237132.db2.gz QVRODYCPSDNOLN-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 37911241 572237153 /nfs/dbraw/zinc/23/71/53/572237153.db2.gz JXSSSLHLSVAIFA-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+](CCCF)[C@@H]1CCC[C@@H]1C[NH3+] 88026410 572933811 /nfs/dbraw/zinc/93/38/11/572933811.db2.gz YRUTVIBEEIIAIP-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 70585105 572237530 /nfs/dbraw/zinc/23/75/30/572237530.db2.gz RGDRIOPFHLRZJX-JQWIXIFHSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 70585105 572237532 /nfs/dbraw/zinc/23/75/32/572237532.db2.gz RGDRIOPFHLRZJX-JQWIXIFHSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC1 37911210 572237544 /nfs/dbraw/zinc/23/75/44/572237544.db2.gz STEMSVTZFKOAMZ-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC1 37911210 572237546 /nfs/dbraw/zinc/23/75/46/572237546.db2.gz STEMSVTZFKOAMZ-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H](C)CC[NH3+] 37913268 572237551 /nfs/dbraw/zinc/23/75/51/572237551.db2.gz LLQAANFBYISBCY-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CCC1 697043419 757425594 /nfs/dbraw/zinc/42/55/94/757425594.db2.gz UWVVMEXRGLUKKN-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CCC1 697043421 757425663 /nfs/dbraw/zinc/42/56/63/757425663.db2.gz UWVVMEXRGLUKKN-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CCCC[NH2+]C1 696996792 757425888 /nfs/dbraw/zinc/42/58/88/757425888.db2.gz FGZLGWNAFIIAPQ-LLVKDONJSA-N 2 1 193.294 1.581 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 697039706 757426170 /nfs/dbraw/zinc/42/61/70/757426170.db2.gz GPUPMSXUZKRZJH-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 697038373 757426843 /nfs/dbraw/zinc/42/68/43/757426843.db2.gz CGSBSWKGGUXQTH-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@@H]1CCCC[NH2+]C1 697038005 757427218 /nfs/dbraw/zinc/42/72/18/757427218.db2.gz QRCSKEKCWGEWBV-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 697039709 757428527 /nfs/dbraw/zinc/42/85/27/757428527.db2.gz GPUPMSXUZKRZJH-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1[NH2+]C 86871217 572333240 /nfs/dbraw/zinc/33/32/40/572333240.db2.gz IYYIAEYUXILMRT-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@H]1CCCC[NH2+]C1 697038008 757429433 /nfs/dbraw/zinc/42/94/33/757429433.db2.gz QRCSKEKCWGEWBV-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP Cc1[nH+]cn(CCC(C)(C)C[NH3+])c1C 83637588 572361485 /nfs/dbraw/zinc/36/14/85/572361485.db2.gz QBDXFNNAQJSWTR-UHFFFAOYSA-N 2 1 195.310 1.875 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 697039707 757430904 /nfs/dbraw/zinc/43/09/04/757430904.db2.gz GPUPMSXUZKRZJH-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 697038261 757431285 /nfs/dbraw/zinc/43/12/85/757431285.db2.gz BFYSGMMVTPFNGR-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CCCC[NH2+]C1 696996794 757431332 /nfs/dbraw/zinc/43/13/32/757431332.db2.gz FGZLGWNAFIIAPQ-NSHDSACASA-N 2 1 193.294 1.581 10 0 ADAEMP CC[C@@H]([NH3+])C[NH2+]Cc1cscc1C 87310228 572414584 /nfs/dbraw/zinc/41/45/84/572414584.db2.gz KUUQPOSPOQTILM-SNVBAGLBSA-N 2 1 198.335 1.883 10 0 ADAEMP Cc1cscc1C[NH2+]C[C@H](C)[NH3+] 87310340 572414620 /nfs/dbraw/zinc/41/46/20/572414620.db2.gz JATLGMHJLFTBHK-QMMMGPOBSA-N 2 1 184.308 1.493 10 0 ADAEMP CCC[N@@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86431484 572938476 /nfs/dbraw/zinc/93/84/76/572938476.db2.gz KWFVGSJYGQLLPO-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+](C)CCNC1=[NH+]CCCC1 86455452 572941364 /nfs/dbraw/zinc/94/13/64/572941364.db2.gz CUEPWRVWGRPKAT-UHFFFAOYSA-N 2 1 183.299 1.110 10 0 ADAEMP CC[N@@H+](C)CCNC1=[NH+]CCCC1 86455452 572941367 /nfs/dbraw/zinc/94/13/67/572941367.db2.gz CUEPWRVWGRPKAT-UHFFFAOYSA-N 2 1 183.299 1.110 10 0 ADAEMP C[C@@H](CC[NH2+]C1CSC1)[NH+](C)C 697836018 757438946 /nfs/dbraw/zinc/43/89/46/757438946.db2.gz HFAFPXYDEAPHIO-QMMMGPOBSA-N 2 1 188.340 1.032 10 0 ADAEMP C[C@H](CC[NH2+]C1CSC1)[NH+](C)C 697836015 757439430 /nfs/dbraw/zinc/43/94/30/757439430.db2.gz HFAFPXYDEAPHIO-MRVPVSSYSA-N 2 1 188.340 1.032 10 0 ADAEMP C[C@H](C[N@@H+](C)CCC1CC1)C(N)=[NH2+] 83926864 572461020 /nfs/dbraw/zinc/46/10/20/572461020.db2.gz IDLUAAVXYNHAPC-MRVPVSSYSA-N 2 1 183.299 1.290 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@@H+](CCC2CC2)C1 83935409 572461030 /nfs/dbraw/zinc/46/10/30/572461030.db2.gz NOPFYZNMHXMTHL-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C12CCCC2 250561712 572481397 /nfs/dbraw/zinc/48/13/97/572481397.db2.gz COPOVHLCEUXFQG-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](C2CCCC2)C1 250573022 572481428 /nfs/dbraw/zinc/48/14/28/572481428.db2.gz FCQHBAXDLNTRRG-GHMZBOCLSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1c1ccncc1 250569041 572483309 /nfs/dbraw/zinc/48/33/09/572483309.db2.gz DQFJDBFLBBLPLL-KOLCDFICSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H](C[NH3+])c1ccco1 250561897 572483346 /nfs/dbraw/zinc/48/33/46/572483346.db2.gz CQZNZZGUUQXBOF-UWVGGRQHSA-N 2 1 194.278 1.416 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])C2CCCC2)C1 250587626 572485659 /nfs/dbraw/zinc/48/56/59/572485659.db2.gz GXGALFKKIMXEIY-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H]([NH2+]C)C1 86618776 572965755 /nfs/dbraw/zinc/96/57/55/572965755.db2.gz ZFXPGEDIMGEKMJ-GARJFASQSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccs1 250608477 572490247 /nfs/dbraw/zinc/49/02/47/572490247.db2.gz LZKZQCFVWIFTFS-BDAKNGLRSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccs1 250608477 572490257 /nfs/dbraw/zinc/49/02/57/572490257.db2.gz LZKZQCFVWIFTFS-BDAKNGLRSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC(F)(F)F)C1 250598603 572493699 /nfs/dbraw/zinc/49/36/99/572493699.db2.gz JKBAFKWPMWPWPE-BQBZGAKWSA-N 2 1 196.216 1.218 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](CC(F)(F)F)C1 250598603 572493701 /nfs/dbraw/zinc/49/37/01/572493701.db2.gz JKBAFKWPMWPWPE-BQBZGAKWSA-N 2 1 196.216 1.218 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C[C@H](C)C[NH3+])C1 250603813 572493728 /nfs/dbraw/zinc/49/37/28/572493728.db2.gz UOZFDJCJGGVBEQ-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C[C@H]1CCC[NH2+]C1 250627901 572497243 /nfs/dbraw/zinc/49/72/43/572497243.db2.gz QOKUFAMZDQQDBY-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@H]2C[C@H]2C1 699159473 757459890 /nfs/dbraw/zinc/45/98/90/757459890.db2.gz HLIDJZZGZXEVLN-QWRGUYRKSA-N 2 1 194.322 1.470 10 0 ADAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C1 699187538 757460007 /nfs/dbraw/zinc/46/00/07/757460007.db2.gz KAFPFHLXFDQCLC-FIQHERPVSA-N 2 1 194.322 1.456 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])[C@@H](c2ccco2)C1 250636892 572504027 /nfs/dbraw/zinc/50/40/27/572504027.db2.gz SGQRYXRQYATTCJ-IUCAKERBSA-N 2 1 180.251 1.026 10 0 ADAEMP C[NH2+]CCCN(C)c1cc(C)cc[nH+]1 87471873 572507179 /nfs/dbraw/zinc/50/71/79/572507179.db2.gz GGCPEQMTAWLNLA-UHFFFAOYSA-N 2 1 193.294 1.436 10 0 ADAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 699187544 757462250 /nfs/dbraw/zinc/46/22/50/757462250.db2.gz KAFPFHLXFDQCLC-IRCOFANPSA-N 2 1 194.322 1.456 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](CC)C1 307781245 572507193 /nfs/dbraw/zinc/50/71/93/572507193.db2.gz ZHOOOXHLRCOPRB-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])[C@H]1CC1CCCCC1 250642518 572507197 /nfs/dbraw/zinc/50/71/97/572507197.db2.gz UFCYQSHVMZFRIJ-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC[N@@H+](C[C@H]2C[C@@H]2C[NH3+])C1 715118617 573047214 /nfs/dbraw/zinc/04/72/14/573047214.db2.gz GGWZTQMRHKALPD-GHMZBOCLSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H]1CC1CCCCC1 250642518 572507201 /nfs/dbraw/zinc/50/72/01/572507201.db2.gz UFCYQSHVMZFRIJ-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP C(C[NH2+]C1CC1)C[N@H+]1CC[C@@H]2C[C@@H]2C1 699159439 757462790 /nfs/dbraw/zinc/46/27/90/757462790.db2.gz HLIDJZZGZXEVLN-GHMZBOCLSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[N@@H+](C)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 699297842 757464276 /nfs/dbraw/zinc/46/42/76/757464276.db2.gz BKODRJOAWBQZQP-FGWVZKOKSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[N@@H+](C)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 699303520 757465119 /nfs/dbraw/zinc/46/51/19/757465119.db2.gz CXXHAGWWZBWWJL-YOGCLGLASA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+](CC1C[C@@H]2CC[C@H](C1)[NH2+]2)C1CC1 699298865 757465143 /nfs/dbraw/zinc/46/51/43/757465143.db2.gz DORBXLOQRMXHTE-FGWVZKOKSA-N 2 1 194.322 1.611 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@H]2CCC[NH2+]2)CC1 250650415 572518722 /nfs/dbraw/zinc/51/87/22/572518722.db2.gz WNSGUKCDKTUEFY-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@@H+](C)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 699305567 757466795 /nfs/dbraw/zinc/46/67/95/757466795.db2.gz OOMDDECCZZODHG-YOGCLGLASA-N 2 1 196.338 1.857 10 0 ADAEMP CCC[C@H]([NH3+])c1cn2cc[nH+]c2n1C 74268777 572518856 /nfs/dbraw/zinc/51/88/56/572518856.db2.gz SDOONWGSLVVXSW-QMMMGPOBSA-N 2 1 192.266 1.473 10 0 ADAEMP C[N@H+]1CCC[C@@]12CCC[C@@H](C[NH3+])C2 250665236 572522615 /nfs/dbraw/zinc/52/26/15/572522615.db2.gz ZPDKOTAKCXOAGV-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311685 572528740 /nfs/dbraw/zinc/52/87/40/572528740.db2.gz WCCKLDOUJQLYKV-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[N@@H+](CC(C)C)C[C@@H](C)C(N)=[NH2+] 308508261 573170736 /nfs/dbraw/zinc/17/07/36/573170736.db2.gz QOTKHOIBBCQHBR-SNVBAGLBSA-N 2 1 199.342 1.926 10 0 ADAEMP C[N@@H+](C[C@]12C[C@@H]([NH3+])C[C@H]1C2)C1CC1 713409537 572611856 /nfs/dbraw/zinc/61/18/56/572611856.db2.gz QTOBGIHHFVFJKO-QXEWZRGKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[C@@H](C)[NH3+])C[C@@H]1C 86009397 573229279 /nfs/dbraw/zinc/22/92/79/573229279.db2.gz CMFCUIPGLOKOON-KXUCPTDWSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1ccsc1 85054804 572635339 /nfs/dbraw/zinc/63/53/39/572635339.db2.gz NLDMOVBZTARHCW-NSCUHMNNSA-N 2 1 196.319 1.695 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])C[C@@H]1CCCCO1 85054886 572635347 /nfs/dbraw/zinc/63/53/47/572635347.db2.gz BEOMJKOOCZWJMA-UFFNRZRYSA-N 2 1 198.310 1.002 10 0 ADAEMP Cc1ccc(C[N@@H+](C)C/C=C/C[NH3+])o1 85054801 572635384 /nfs/dbraw/zinc/63/53/84/572635384.db2.gz HYOSVXUGGHQARP-ONEGZZNKSA-N 2 1 194.278 1.535 10 0 ADAEMP C[C@H](CC1CC1)[N@H+]1CCCNCC1 70104335 572639336 /nfs/dbraw/zinc/63/93/36/572639336.db2.gz IVYDJZHQODOFGB-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@H+]1CC=C(C[C@@H](C)[NH3+])CC1 258242645 573236172 /nfs/dbraw/zinc/23/61/72/573236172.db2.gz XFLALLPEIKLRRD-SNVBAGLBSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)c1[nH+]ccn1C/C=C/C[NH3+] 85055274 572641260 /nfs/dbraw/zinc/64/12/60/572641260.db2.gz NJCUTCIOWAOJEF-ONEGZZNKSA-N 2 1 179.267 1.521 10 0 ADAEMP CC(C)C[N@@H+](C/C=C/C[NH3+])C(C)C 85054931 572641289 /nfs/dbraw/zinc/64/12/89/572641289.db2.gz LTOPKTUWQNYDDF-AATRIKPKSA-N 2 1 184.327 1.868 10 0 ADAEMP C[C@@H]1CC[C@@H]2[C@H](C1)[C@H](C[NH3+])CC[N@H+]2C 251930245 572659611 /nfs/dbraw/zinc/65/96/11/572659611.db2.gz VGEVWXBDRNHIHI-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@H]1C[N@H+](C[C@H](C)[NH3+])CCC12CC2 251922085 572660438 /nfs/dbraw/zinc/66/04/38/572660438.db2.gz YOBDEPBGFVNKBP-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1C[N@@H+](C[C@H](C)[NH3+])CCC12CC2 251922085 572660440 /nfs/dbraw/zinc/66/04/40/572660440.db2.gz YOBDEPBGFVNKBP-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[C@@H]2[C@@H](C[C@@H](C[NH3+])C[N@H+]2C)C1 251942444 572660464 /nfs/dbraw/zinc/66/04/64/572660464.db2.gz WCMYOLPOKDLTNZ-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](C[NH3+])CC[N@H+]2C 251930244 572660472 /nfs/dbraw/zinc/66/04/72/572660472.db2.gz VGEVWXBDRNHIHI-WISYIIOYSA-N 2 1 196.338 1.702 10 0 ADAEMP C[NH2+][C@@H](c1ccc(C)cc1)C(C)(C)[NH3+] 259391963 573251514 /nfs/dbraw/zinc/25/15/14/573251514.db2.gz LKRNIONWKHPFRK-NSHDSACASA-N 2 1 192.306 1.993 10 0 ADAEMP CC[C@H](C)[C@@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 251936107 572660558 /nfs/dbraw/zinc/66/05/58/572660558.db2.gz RXEQELZGERVOJZ-IVZWLZJFSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@@H](C[NH3+])c1[nH+]cc(C)n1C 74335055 572662479 /nfs/dbraw/zinc/66/24/79/572662479.db2.gz FCMKUXDDBIUKPP-QMMMGPOBSA-N 2 1 167.256 1.181 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C)[NH2+]CC2(CC2)C1 251922562 572662524 /nfs/dbraw/zinc/66/25/24/572662524.db2.gz QHOLCTVCUYVXCN-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C1C[NH2+][C@H]2C[N@H+](CC3CC3)C[C@H]2C1 299894013 572673942 /nfs/dbraw/zinc/67/39/42/572673942.db2.gz RLPGSHYWRQUEOW-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP CC1CC(C[N@H+]2C[C@@H](C)[C@H](C[NH3+])C2)C1 885189582 757514652 /nfs/dbraw/zinc/51/46/52/757514652.db2.gz PVNKGLGXESJGDA-RUJICJSRSA-N 2 1 196.338 1.559 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@]12CCC[N@H+]2C 238332110 573280780 /nfs/dbraw/zinc/28/07/80/573280780.db2.gz NTGIHCUGCBFXHP-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]([NH3+])Cn1c[nH+]c2c1CCCC2 74304587 573311721 /nfs/dbraw/zinc/31/17/21/573311721.db2.gz QFETYYYLJNVDGG-MRVPVSSYSA-N 2 1 179.267 1.109 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C(C)C 50270982 573345862 /nfs/dbraw/zinc/34/58/62/573345862.db2.gz UXGWEQFUBUJKJF-IUCAKERBSA-N 2 1 158.289 1.358 10 0 ADAEMP CC1CC(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)C1 885425100 757521947 /nfs/dbraw/zinc/52/19/47/757521947.db2.gz QDGRHSAOLYRNSW-YIYTYNFBSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)CC[C@@](C[NH3+])([NH2+]CC2CC2)C1 87772615 572706478 /nfs/dbraw/zinc/70/64/78/572706478.db2.gz GDTYIUBRLINOGT-GFCCVEGCSA-N 2 1 196.338 1.894 10 0 ADAEMP CCCC[C@@H]1[C@H]([NH3+])CCC[N@H+]1C 83428428 573499668 /nfs/dbraw/zinc/49/96/68/573499668.db2.gz XQFUBGCPIQRXAD-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CC[C@@H](C)C2)C[C@H]1N 70644948 572718388 /nfs/dbraw/zinc/71/83/88/572718388.db2.gz WEVMCYOJFBORLO-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CCN([C@H]2CC[C@@H](C)C2)C[C@H]1[NH3+] 70644948 572718391 /nfs/dbraw/zinc/71/83/91/572718391.db2.gz WEVMCYOJFBORLO-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CSCCC[N@H+]1CCC[NH3+] 885533567 757536330 /nfs/dbraw/zinc/53/63/30/757536330.db2.gz AFSUJWAGENBWFL-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CCC(CC)[N@H+]1C[C@H]2[C@H](C[NH3+])[C@H]2C1 250382611 572720799 /nfs/dbraw/zinc/72/07/99/572720799.db2.gz FHDXNGQMMIQEFQ-RTCCRHLQSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1CSCCC[N@H+]1CCC[NH3+] 885533566 757544860 /nfs/dbraw/zinc/54/48/60/757544860.db2.gz AFSUJWAGENBWFL-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236179575 572722421 /nfs/dbraw/zinc/72/24/21/572722421.db2.gz LBZSHVRIIWPMLB-JTQLQIEISA-N 2 1 194.322 1.457 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@]23CC[NH2+]C3)C1 885740468 757551909 /nfs/dbraw/zinc/55/19/09/757551909.db2.gz IENDXVZUQWXHAT-GFCCVEGCSA-N 2 1 194.322 1.614 10 0 ADAEMP CC1CC(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)C1 885835854 757551092 /nfs/dbraw/zinc/55/10/92/757551092.db2.gz QVARUYBACUSZPJ-ILDUYXDCSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1CC(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)C1 885835854 757551151 /nfs/dbraw/zinc/55/11/51/757551151.db2.gz QVARUYBACUSZPJ-ILDUYXDCSA-N 2 1 196.338 1.702 10 0 ADAEMP C[NH2+][C@@](C)(C[NH3+])CC1CCCC1 689862421 573873784 /nfs/dbraw/zinc/87/37/84/573873784.db2.gz GRSKTYQVXXOIPS-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]1C[C@H](C)C[NH3+] 259578290 573894924 /nfs/dbraw/zinc/89/49/24/573894924.db2.gz YJLXIPDGIHGYPF-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC1CC(C[N@H+]2CC3CC2(C[NH3+])C3)C1 885735452 757557740 /nfs/dbraw/zinc/55/77/40/757557740.db2.gz FCTAEMKNJCQCEH-UHFFFAOYSA-N 2 1 194.322 1.456 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@@]23CC[NH2+]C3)C1 885740469 757559720 /nfs/dbraw/zinc/55/97/20/757559720.db2.gz IENDXVZUQWXHAT-LBPRGKRZSA-N 2 1 194.322 1.614 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)CC[NH2+]C 87947573 572758598 /nfs/dbraw/zinc/75/85/98/572758598.db2.gz JXRGHSMELRYENL-JTQLQIEISA-N 2 1 195.310 1.691 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 87947215 572759366 /nfs/dbraw/zinc/75/93/66/572759366.db2.gz FALPGVIHTQUZTD-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC1CC(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1 885835855 757560709 /nfs/dbraw/zinc/56/07/09/757560709.db2.gz QVARUYBACUSZPJ-VQXHTEKXSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1CC(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)C1 885835855 757560731 /nfs/dbraw/zinc/56/07/31/757560731.db2.gz QVARUYBACUSZPJ-VQXHTEKXSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CC1(C)CC1 308123310 572767841 /nfs/dbraw/zinc/76/78/41/572767841.db2.gz SJSFVJPKCVNIQK-VIFPVBQESA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1c1[nH+]ccn1C 87955109 572767844 /nfs/dbraw/zinc/76/78/44/572767844.db2.gz LTPIMGJTQHQRAB-NXEZZACHSA-N 2 1 193.294 1.523 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+]CC[C@H]1C 259586619 573936430 /nfs/dbraw/zinc/93/64/30/573936430.db2.gz ZRWKLISJDWXHOR-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@@H]1C=CCC1 238554225 572793847 /nfs/dbraw/zinc/79/38/47/572793847.db2.gz NWVKNBCVQWGLRR-VXGBXAGGSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@@H]1C=CCC1 238554225 572793850 /nfs/dbraw/zinc/79/38/50/572793850.db2.gz NWVKNBCVQWGLRR-VXGBXAGGSA-N 2 1 194.322 1.766 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)CCC[NH2+]1 49662999 572793858 /nfs/dbraw/zinc/79/38/58/572793858.db2.gz NHMCPYYSUMOREQ-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)C[C@H](C)C[NH2+]1 49663010 572793920 /nfs/dbraw/zinc/79/39/20/572793920.db2.gz NHBDWXMCXNLWOX-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC(C)C)CC[NH2+]1 49661520 572793953 /nfs/dbraw/zinc/79/39/53/572793953.db2.gz HWVUZQNJZRMBCV-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1CC[N@H+]1C(C)(C)CCC[NH3+] 307937327 572798107 /nfs/dbraw/zinc/79/81/07/572798107.db2.gz REJDVAKBHNWDIL-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)CC(C)(C)C)CC1 259030699 573969198 /nfs/dbraw/zinc/96/91/98/573969198.db2.gz ZKDQQAPIMBEEEG-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)(C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893654 572828734 /nfs/dbraw/zinc/82/87/34/572828734.db2.gz NLEZIINOQJIQDH-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893654 572828736 /nfs/dbraw/zinc/82/87/36/572828736.db2.gz NLEZIINOQJIQDH-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C1CCC([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 299892987 572830387 /nfs/dbraw/zinc/83/03/87/572830387.db2.gz GISBHZUSKJNUHQ-CMPLNLGQSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[C@@H](C[NH+]2CC3CC(C3)C2)[NH2+]C1 214779510 572830440 /nfs/dbraw/zinc/83/04/40/572830440.db2.gz PMOZAXAUWQOXCW-MCIGGMRASA-N 2 1 194.322 1.470 10 0 ADAEMP CC[N@@H+](C)CC[C@H](C)[C@@H]1CCC[NH2+]C1 87973624 572831006 /nfs/dbraw/zinc/83/10/06/572831006.db2.gz GWBXJHXIZKUBSD-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[N@H+]1Cc2cn(C)c(C[NH3+])c2C1 75396722 572839657 /nfs/dbraw/zinc/83/96/57/572839657.db2.gz YWXAJWQFBLQXIR-UHFFFAOYSA-N 2 1 193.294 1.209 10 0 ADAEMP CC[N@@H+]1Cc2cn(C)c([C@@H](C)[NH3+])c2C1 75396735 572839672 /nfs/dbraw/zinc/83/96/72/572839672.db2.gz CHYQSYJIJBEENM-MRVPVSSYSA-N 2 1 193.294 1.380 10 0 ADAEMP CC[N@H+]1Cc2cn(C)c([C@@H](C)[NH3+])c2C1 75396735 572839674 /nfs/dbraw/zinc/83/96/74/572839674.db2.gz CHYQSYJIJBEENM-MRVPVSSYSA-N 2 1 193.294 1.380 10 0 ADAEMP CCc1c[nH+]cn1[C@@H](C)CCC[NH3+] 308158113 572878932 /nfs/dbraw/zinc/87/89/32/572878932.db2.gz VFHOPLQYZHSIPM-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[NH+]1CC=CC1 308157306 572878945 /nfs/dbraw/zinc/87/89/45/572878945.db2.gz PLUBEJUAABNVJO-JTQLQIEISA-N 2 1 168.284 1.102 10 0 ADAEMP Cc1cccc(C[N@H+](C)CCC[NH3+])n1 86136176 572879835 /nfs/dbraw/zinc/87/98/35/572879835.db2.gz DYNNFOJJKIXCNC-UHFFFAOYSA-N 2 1 193.294 1.171 10 0 ADAEMP Cc1cccc(C[N@@H+](C)CCC[NH3+])n1 86136176 572879838 /nfs/dbraw/zinc/87/98/38/572879838.db2.gz DYNNFOJJKIXCNC-UHFFFAOYSA-N 2 1 193.294 1.171 10 0 ADAEMP CCc1c[nH+]cn1C[C@H](C)[NH2+]C 307971469 572879901 /nfs/dbraw/zinc/87/99/01/572879901.db2.gz YBCWVCQYDGQTSB-QMMMGPOBSA-N 2 1 167.256 1.053 10 0 ADAEMP CCc1c[nH+]cn1CCCC[NH3+] 307971032 572879951 /nfs/dbraw/zinc/87/99/51/572879951.db2.gz XSIASISHFYKTGI-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86311604 572914017 /nfs/dbraw/zinc/91/40/17/572914017.db2.gz AKUJWJWQKDSARM-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](CC1CC1)C1CC1 86312723 572914032 /nfs/dbraw/zinc/91/40/32/572914032.db2.gz DHFSLVCVCFJDOJ-NXEZZACHSA-N 2 1 196.338 1.844 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@@H](C)C[NH3+] 86313137 572914064 /nfs/dbraw/zinc/91/40/64/572914064.db2.gz HFVPPFXUWFGIIY-DTWKUNHWSA-N 2 1 181.283 1.601 10 0 ADAEMP C[C@@H]([C@H](C)C[NH2+]C1CC1)[N@@H+](C)C1CC1 86311499 572914081 /nfs/dbraw/zinc/91/40/81/572914081.db2.gz JJZGTCPXLMQNSY-ZJUUUORDSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)C[NH3+] 86312649 572914092 /nfs/dbraw/zinc/91/40/92/572914092.db2.gz DZUXVKWGPCFMFC-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)[C@@H](C)[C@H](C)C[NH3+] 86311779 572914109 /nfs/dbraw/zinc/91/41/09/572914109.db2.gz LCGWWLKWRHFXDP-UTLUCORTSA-N 2 1 184.327 1.700 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@H](C)C[NH2+]C 86313123 572914129 /nfs/dbraw/zinc/91/41/29/572914129.db2.gz IUZFOXZOIYDPPC-NXEZZACHSA-N 2 1 195.310 1.862 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)[C@@H](C)C[NH3+] 86311605 572914148 /nfs/dbraw/zinc/91/41/48/572914148.db2.gz AKUJWJWQKDSARM-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH2+]C 86311518 572914155 /nfs/dbraw/zinc/91/41/55/572914155.db2.gz XUXFZKNQYFGFAC-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C1CC1 86311481 572914166 /nfs/dbraw/zinc/91/41/66/572914166.db2.gz KXKFMLZRRCGWSR-RKDXNWHRSA-N 2 1 170.300 1.325 10 0 ADAEMP Cc1ccc(C[NH2+]C(C)(C)C[NH3+])s1 308207303 572927032 /nfs/dbraw/zinc/92/70/32/572927032.db2.gz ZWKHSSKEDKKXBQ-UHFFFAOYSA-N 2 1 198.335 1.883 10 0 ADAEMP CCCC[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86409879 572933859 /nfs/dbraw/zinc/93/38/59/572933859.db2.gz DIZJIHGDICJQIJ-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[NH2+]C[C@@H]([NH3+])[C@@H](C)OC(C)(C)C 308203857 572933904 /nfs/dbraw/zinc/93/39/04/572933904.db2.gz XEYIZIKVFYRQPQ-RKDXNWHRSA-N 2 1 188.315 1.127 10 0 ADAEMP CCC(C)(C)[N@@H+](C)CCOCC[NH3+] 86435809 572937096 /nfs/dbraw/zinc/93/70/96/572937096.db2.gz XCOCDRVYRPTHHG-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[C@H]1C[N@@H+](CCCF)CCC[NH2+]1 88027523 572937145 /nfs/dbraw/zinc/93/71/45/572937145.db2.gz OHXGRWQRXYMZFL-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP CCOCCC[NH2+][C@@](C)(CC)C[NH3+] 308196388 572938495 /nfs/dbraw/zinc/93/84/95/572938495.db2.gz RGTCKEJZDIZSFB-JTQLQIEISA-N 2 1 188.315 1.130 10 0 ADAEMP CC(C)(C)[NH2+][C@H](C[NH3+])C(C)(C)C 238112023 572938536 /nfs/dbraw/zinc/93/85/36/572938536.db2.gz YVOOPKMKRAVPLW-MRVPVSSYSA-N 2 1 172.316 1.748 10 0 ADAEMP CC(C)(C)[NH2+][C@@H](C[NH3+])C(C)(C)C 238110139 572938618 /nfs/dbraw/zinc/93/86/18/572938618.db2.gz YVOOPKMKRAVPLW-QMMMGPOBSA-N 2 1 172.316 1.748 10 0 ADAEMP C[NH2+]C[C@@H]1CCCc2[nH+]c(C)[nH]c21 76089321 572943827 /nfs/dbraw/zinc/94/38/27/572943827.db2.gz WPKIOWXZASOXDV-QMMMGPOBSA-N 2 1 179.267 1.357 10 0 ADAEMP CC[C@@H](C)CN(C)CC1([NH3+])CCC1 88051736 572946297 /nfs/dbraw/zinc/94/62/97/572946297.db2.gz BQOCOVSYFRNRDT-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCC[C@@H]1[NH3+])C1CC1 86531236 572949931 /nfs/dbraw/zinc/94/99/31/572949931.db2.gz YYKDBWGVXYOOTL-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](CC[C@H]1CCC[C@@H]1[NH3+])CC1CC1 86531608 572950323 /nfs/dbraw/zinc/95/03/23/572950323.db2.gz QGLTVRSFJQGNIB-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1CC[N@@H+](C)C1CC1 86531252 572950379 /nfs/dbraw/zinc/95/03/79/572950379.db2.gz KGDQHSGLUQKOMK-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)Cc1[nH+]ccn1C 86754281 572979263 /nfs/dbraw/zinc/97/92/63/572979263.db2.gz OKDPRBZWKKJLLA-VHSXEESVSA-N 2 1 195.310 1.597 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)C[C@H](C)[NH3+] 86754266 572979308 /nfs/dbraw/zinc/97/93/08/572979308.db2.gz NPMUXDMWCGMAJI-UWVGGRQHSA-N 2 1 195.310 1.819 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1C=C[C@H]([NH3+])C1 252645519 572979685 /nfs/dbraw/zinc/97/96/85/572979685.db2.gz QPFOMUYVXDXFPO-FOGDFJRCSA-N 2 1 194.322 1.620 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1n1c[nH+]c(C)c1C 87923921 573001286 /nfs/dbraw/zinc/00/12/86/573001286.db2.gz YZPDSHWABMIALT-WDEREUQCSA-N 2 1 193.294 1.670 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@H+]1CCCC1(C)C 87923092 573001396 /nfs/dbraw/zinc/00/13/96/573001396.db2.gz YZDIPCIRGNYTGO-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921321 573001456 /nfs/dbraw/zinc/00/14/56/573001456.db2.gz DVARIXFYBYZBQT-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87921549 573002784 /nfs/dbraw/zinc/00/27/84/573002784.db2.gz AKMNIGANJSWNIB-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC12CC(C[N@H+]1C[C@H]1CCC[NH2+]C1)C2 1118505634 757687077 /nfs/dbraw/zinc/68/70/77/757687077.db2.gz FOEVCLGYNRSTGE-UNXYVOJBSA-N 2 1 194.322 1.470 10 0 ADAEMP c1coc(CC[NH2+]C[C@H]2CCC[NH2+]2)c1 42594228 573006029 /nfs/dbraw/zinc/00/60/29/573006029.db2.gz VKIMMXSJMLNJDJ-SNVBAGLBSA-N 2 1 194.278 1.164 10 0 ADAEMP CC12CC(C[N@H+]1C[C@@H]1CCC[NH2+]C1)C2 1118505635 757692313 /nfs/dbraw/zinc/69/23/13/757692313.db2.gz FOEVCLGYNRSTGE-VOMCLLRMSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC[N@H+]1CCC[NH2+]CC[C@H]1C 259308677 573011291 /nfs/dbraw/zinc/01/12/91/573011291.db2.gz HUJXHHLDZPOMTP-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@H]1C[NH2+]C(C)(C)C1 258221764 573011308 /nfs/dbraw/zinc/01/13/08/573011308.db2.gz OWMZKISSIUSYJT-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH+](C)CCC1=CC[N@@H+](C)CC1 258221933 573011346 /nfs/dbraw/zinc/01/13/46/573011346.db2.gz VVJVFYWBRTXDER-UHFFFAOYSA-N 2 1 168.284 1.200 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@]12CC[N@H+]1CCC[C@@H]12 123439386 573013129 /nfs/dbraw/zinc/01/31/29/573013129.db2.gz NIHKPBOAGLOUTC-UTUOFQBUSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[NH2+]CCc1[nH]cc[nH+]1 714617547 573017395 /nfs/dbraw/zinc/01/73/95/573017395.db2.gz ACLPPDFXTYODMZ-KOLCDFICSA-N 2 1 193.294 1.588 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@]2(C)CCC[NH2+]2)C1 258225884 573017431 /nfs/dbraw/zinc/01/74/31/573017431.db2.gz PFGSMMDMPCFIGA-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1 82390054 573017449 /nfs/dbraw/zinc/01/74/49/573017449.db2.gz HKJAEABTLBWFHP-LBPRGKRZSA-N 2 1 192.306 1.904 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]Cc1ccccc1 82390066 573017745 /nfs/dbraw/zinc/01/77/45/573017745.db2.gz RFJIMTUIPSHUSL-GFCCVEGCSA-N 2 1 192.306 1.904 10 0 ADAEMP Fc1cccc(C[NH2+]CC2C[NH2+]C2)c1 259033978 573019080 /nfs/dbraw/zinc/01/90/80/573019080.db2.gz ZYOCRGYEQPGWBF-UHFFFAOYSA-N 2 1 194.253 1.135 10 0 ADAEMP C[C@H]1C[C@H](Cc2[nH+]ccn2C)CC[NH2+]1 235683382 573020768 /nfs/dbraw/zinc/02/07/68/573020768.db2.gz BQPKZPABXMTUOT-VHSXEESVSA-N 2 1 193.294 1.351 10 0 ADAEMP CC[C@](C)(C[NH2+]C1CC1)C[NH+]1CCC1 308483992 573023062 /nfs/dbraw/zinc/02/30/62/573023062.db2.gz IFGKZLOZWURZAL-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438406 573023153 /nfs/dbraw/zinc/02/31/53/573023153.db2.gz XFNPKFKICDZHEC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 85438745 573023388 /nfs/dbraw/zinc/02/33/88/573023388.db2.gz BVOFWVZUCPNKMC-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H]([NH3+])C1(N(C)C)CCCC1 82400758 573026061 /nfs/dbraw/zinc/02/60/61/573026061.db2.gz NWKYHQWLSFVADC-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[NH+](CC)CC[C@H]([NH3+])c1ccc[nH]1 308477619 573026062 /nfs/dbraw/zinc/02/60/62/573026062.db2.gz LPXWRHSVBXSCBC-JTQLQIEISA-N 2 1 195.310 1.746 10 0 ADAEMP CCC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 85438747 573026145 /nfs/dbraw/zinc/02/61/45/573026145.db2.gz BVOFWVZUCPNKMC-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP NC[C@@H]1CCC[C@H]2CCCC[N@@H+]12 258526594 573026314 /nfs/dbraw/zinc/02/63/14/573026314.db2.gz MXKBZXGPTOTGNC-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@H]2CCCC[N@H+]12 258526594 573026321 /nfs/dbraw/zinc/02/63/21/573026321.db2.gz MXKBZXGPTOTGNC-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@H]2CCCC[N@@H+]12 258526594 573026325 /nfs/dbraw/zinc/02/63/25/573026325.db2.gz MXKBZXGPTOTGNC-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CC[C@H](CC)C1 252846400 573032358 /nfs/dbraw/zinc/03/23/58/573032358.db2.gz FMZLNFINROLJOP-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CC[C@H](CC)C1 252846400 573032363 /nfs/dbraw/zinc/03/23/63/573032363.db2.gz FMZLNFINROLJOP-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1C[NH2+]CC[C@@H]1C 85442008 573032415 /nfs/dbraw/zinc/03/24/15/573032415.db2.gz HWMKQVNNGRLPHJ-WCBMZHEXSA-N 2 1 179.267 1.362 10 0 ADAEMP CC1(C)C[NH2+][C@H](C[C@@H]2CCCC[NH2+]2)O1 258472553 573039198 /nfs/dbraw/zinc/03/91/98/573039198.db2.gz KXXJWTBUIZWFQS-UWVGGRQHSA-N 2 1 198.310 1.243 10 0 ADAEMP CO[C@@H](C)C[N@@H+](C)CCC(C)(C)[NH3+] 308237570 573041922 /nfs/dbraw/zinc/04/19/22/573041922.db2.gz WSKVVPODOHAEMN-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H]1CC[NH2+][C@H](C)C[N@H+]1CCCF 88027538 573042020 /nfs/dbraw/zinc/04/20/20/573042020.db2.gz ZQEQIXFDAVUTSE-ZJUUUORDSA-N 2 1 188.290 1.418 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1CC1([NH3+])CC1 257937542 573052110 /nfs/dbraw/zinc/05/21/10/573052110.db2.gz HOTKCUVYBFAEGA-SNVBAGLBSA-N 2 1 182.311 1.741 10 0 ADAEMP [NH3+]C1CCC([N@H+]2CC[C@H](F)C2)CC1 114037124 573054917 /nfs/dbraw/zinc/05/49/17/573054917.db2.gz XAGOJJLKHUDMBW-IDKOKCKLSA-N 2 1 186.274 1.300 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC[NH3+])C1(C)C 259320579 573061355 /nfs/dbraw/zinc/06/13/55/573061355.db2.gz IIHXPGNQOUZASQ-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])CC(F)F 308242690 573061555 /nfs/dbraw/zinc/06/15/55/573061555.db2.gz ZNYTWXFFGOUQIY-CSMHCCOUSA-N 2 1 192.253 1.357 10 0 ADAEMP C[NH2+]CCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49717025 573061630 /nfs/dbraw/zinc/06/16/30/573061630.db2.gz RLLAQMSLQNAAOR-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)C1CC1 128552298 573070592 /nfs/dbraw/zinc/07/05/92/573070592.db2.gz YFQSSWJUIZRKDA-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](C)CC1 82489524 573070632 /nfs/dbraw/zinc/07/06/32/573070632.db2.gz MXOFATUDUADRMD-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@H](C)CC1 82489524 573070638 /nfs/dbraw/zinc/07/06/38/573070638.db2.gz MXOFATUDUADRMD-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)CCC 128555716 573070668 /nfs/dbraw/zinc/07/06/68/573070668.db2.gz NTVOXTLOHVURFV-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](CC)C1CC1 128551570 573070819 /nfs/dbraw/zinc/07/08/19/573070819.db2.gz YUGZEIPOHOCGDH-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H](C)CC[NH3+])CC1 82488905 573073896 /nfs/dbraw/zinc/07/38/96/573073896.db2.gz QOEYHBXLGLFJCQ-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+]C1([NH3+])C2CC3CC(C2)CC1C3 238269832 573076759 /nfs/dbraw/zinc/07/67/59/573076759.db2.gz XBLHSWBJCFZJND-UHFFFAOYSA-N 2 1 194.322 1.707 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]Cc1ccncc1 308491600 573080064 /nfs/dbraw/zinc/08/00/64/573080064.db2.gz QZBWRKAYXQMIJA-LLVKDONJSA-N 2 1 193.294 1.299 10 0 ADAEMP C[NH2+][C@H](c1ccc(C)o1)C1(C[NH3+])CC1 259330577 573105655 /nfs/dbraw/zinc/10/56/55/573105655.db2.gz JYYBKEDXLGTTQD-SNVBAGLBSA-N 2 1 194.278 1.587 10 0 ADAEMP CC[C@@H](C[NH3+])[C@H]([NH3+])c1ccccn1 259328345 573105705 /nfs/dbraw/zinc/10/57/05/573105705.db2.gz IYUBTAQXXXVMLL-WPRPVWTQSA-N 2 1 179.267 1.066 10 0 ADAEMP CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238284761 573105955 /nfs/dbraw/zinc/10/59/55/573105955.db2.gz OZFBTYWYRNXTQO-CHWFTXMASA-N 2 1 182.311 1.739 10 0 ADAEMP CC[N@H+]1CCC[C@H]1CNC1=[NH+]CCC1 88225491 573106849 /nfs/dbraw/zinc/10/68/49/573106849.db2.gz BYXZLXBMQNMKCL-JTQLQIEISA-N 2 1 195.310 1.253 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(CC[NH+]2CCCC2)O1 258479823 573121855 /nfs/dbraw/zinc/12/18/55/573121855.db2.gz LHKHPKYUZPFBIV-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP C[NH+](C)[C@H]1C[NH2+]CC[C@H]1C1CCCC1 238299680 573139377 /nfs/dbraw/zinc/13/93/77/573139377.db2.gz WFKCHQQCKPIJSS-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@@H]([NH3+])c1ccc[nH]1 259346120 573146772 /nfs/dbraw/zinc/14/67/72/573146772.db2.gz JPWRHZILZCALFU-WCBMZHEXSA-N 2 1 181.283 1.260 10 0 ADAEMP C[C@H]1CC([C@H]([NH3+])C[NH+](C)C)C[C@H](C)C1 85797977 573146799 /nfs/dbraw/zinc/14/67/99/573146799.db2.gz CJYPPIIHYIZKMW-CKYFFXLPSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 308504068 573148168 /nfs/dbraw/zinc/14/81/68/573148168.db2.gz CNGRGJFDQJGNQB-IJLUTSLNSA-N 2 1 198.354 1.948 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])C1CCCC1 85798411 573148207 /nfs/dbraw/zinc/14/82/07/573148207.db2.gz VHLDQVRJXUVPQW-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1CCC([C@H]([NH3+])C[NH+](C)C)CC1 85798519 573148367 /nfs/dbraw/zinc/14/83/67/573148367.db2.gz FYPHIYJWKGEIGE-VQXHTEKXSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666713 573152650 /nfs/dbraw/zinc/15/26/50/573152650.db2.gz CTZICUQLGYKXBH-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH+]cc(CC[NH2+]CC(C)C)n1C 308505907 573153793 /nfs/dbraw/zinc/15/37/93/573153793.db2.gz YXMPKWUHSTZUQF-UHFFFAOYSA-N 2 1 195.310 1.517 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 82666763 573153801 /nfs/dbraw/zinc/15/38/01/573153801.db2.gz ZOTAIFXDSGSWKO-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1C[C@@]1(C)[NH2+]CCO1 258542811 573157265 /nfs/dbraw/zinc/15/72/65/573157265.db2.gz OFTDLGPAMZOOJN-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[C@@]1(C)[NH2+]CCO1 258542811 573157273 /nfs/dbraw/zinc/15/72/73/573157273.db2.gz OFTDLGPAMZOOJN-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H](C)C[NH3+])C1 259348833 573160101 /nfs/dbraw/zinc/16/01/01/573160101.db2.gz FDSWAJBXJVFEGJ-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@H]1NCC(C)(C)O1 258564520 573166484 /nfs/dbraw/zinc/16/64/84/573166484.db2.gz PAKZXSBUUHPSNW-UWVGGRQHSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@H]1[NH2+]CC(C)(C)O1 258564520 573166494 /nfs/dbraw/zinc/16/64/94/573166494.db2.gz PAKZXSBUUHPSNW-UWVGGRQHSA-N 2 1 198.310 1.195 10 0 ADAEMP CCC[N@@H+](CC(C)C)C[C@H](C)C(N)=[NH2+] 308508260 573170937 /nfs/dbraw/zinc/17/09/37/573170937.db2.gz QOTKHOIBBCQHBR-JTQLQIEISA-N 2 1 199.342 1.926 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC[NH3+])C1(C)C 259357170 573182954 /nfs/dbraw/zinc/18/29/54/573182954.db2.gz KCOSURZQXFELNL-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])[C@@H](C)C(C)C 308294564 573182975 /nfs/dbraw/zinc/18/29/75/573182975.db2.gz RLYPJYGEJBFRHQ-DCAQKATOSA-N 2 1 186.343 1.994 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[NH2+]CC[C@@H]1C 259360018 573183002 /nfs/dbraw/zinc/18/30/02/573183002.db2.gz KFNRJNOBHXIARD-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@]1(C)CC[NH2+]C1 258572497 573192592 /nfs/dbraw/zinc/19/25/92/573192592.db2.gz RSUGQFIGDFCIPM-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 132038901 573192716 /nfs/dbraw/zinc/19/27/16/573192716.db2.gz RUQKEVRVAHOPTR-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 74310643 573192747 /nfs/dbraw/zinc/19/27/47/573192747.db2.gz QTWREBBREVANBX-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@]1(C)CC[NH2+]C1 258572504 573192772 /nfs/dbraw/zinc/19/27/72/573192772.db2.gz RSUGQFIGDFCIPM-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C2(C)CCCC2)C1 82785589 573192902 /nfs/dbraw/zinc/19/29/02/573192902.db2.gz ODSMUUURUZXKIU-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[N@H+](C2(C)CCCC2)CC[C@@H]1[NH3+] 82785576 573192981 /nfs/dbraw/zinc/19/29/81/573192981.db2.gz SWFJFZUOLVGXDQ-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCC[N@@H+]1CC=C(C[NH3+])CC1 259366745 573194071 /nfs/dbraw/zinc/19/40/71/573194071.db2.gz ZTUUKQYYWWPRGO-UHFFFAOYSA-N 2 1 168.284 1.377 10 0 ADAEMP C[N@@H+]1CCC[C@@H]2CCC(C)(C)[NH2+][C@@H]21 238302072 573194169 /nfs/dbraw/zinc/19/41/69/573194169.db2.gz NOXCQSOJQKDCMJ-NXEZZACHSA-N 2 1 182.311 1.816 10 0 ADAEMP C[N@H+]1CCC[C@@H]2CCC(C)(C)[NH2+][C@@H]21 238302072 573194175 /nfs/dbraw/zinc/19/41/75/573194175.db2.gz NOXCQSOJQKDCMJ-NXEZZACHSA-N 2 1 182.311 1.816 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+]2CCCC[C@@H]2[C@@H]1F 257966313 573198866 /nfs/dbraw/zinc/19/88/66/573198866.db2.gz XYHVRZJVJWZRFN-UTLUCORTSA-N 2 1 186.274 1.300 10 0 ADAEMP C[C@]1([NH3+])CC[N@H+]2CCCC[C@@H]2[C@@H]1F 257966313 573198871 /nfs/dbraw/zinc/19/88/71/573198871.db2.gz XYHVRZJVJWZRFN-UTLUCORTSA-N 2 1 186.274 1.300 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])CC1(C)C 259365914 573198935 /nfs/dbraw/zinc/19/89/35/573198935.db2.gz KNNKUAOVRHXJKR-NXEZZACHSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])CC1(C)C 259365916 573198971 /nfs/dbraw/zinc/19/89/71/573198971.db2.gz KNNKUAOVRHXJKR-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+]2CCCC[C@H]2[C@@H]1F 257966308 573199332 /nfs/dbraw/zinc/19/93/32/573199332.db2.gz XYHVRZJVJWZRFN-GUBZILKMSA-N 2 1 186.274 1.300 10 0 ADAEMP C[C@]1([NH3+])CC[N@H+]2CCCC[C@H]2[C@@H]1F 257966308 573199337 /nfs/dbraw/zinc/19/93/37/573199337.db2.gz XYHVRZJVJWZRFN-GUBZILKMSA-N 2 1 186.274 1.300 10 0 ADAEMP C1C[NH2+][C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 257746885 573202327 /nfs/dbraw/zinc/20/23/27/573202327.db2.gz YZKYHFOTARPRHN-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3[C@H]2C1 257746925 573202729 /nfs/dbraw/zinc/20/27/29/573202729.db2.gz ZDFREVRXBYZMMR-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3[C@H]2C1 257746925 573202734 /nfs/dbraw/zinc/20/27/34/573202734.db2.gz ZDFREVRXBYZMMR-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)C[C@H](C)[NH3+] 82803590 573202819 /nfs/dbraw/zinc/20/28/19/573202819.db2.gz GFIRVSZXPIXKDN-JGVFFNPUSA-N 2 1 167.256 1.490 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CCCC1(C)C 82802368 573204783 /nfs/dbraw/zinc/20/47/83/573204783.db2.gz FGIGMZYYARYYMT-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]2C[NH2+]CC3(CC3)C2)C1 238311991 573204807 /nfs/dbraw/zinc/20/48/07/573204807.db2.gz SRGZOFPGEHMSTO-MNOVXSKESA-N 2 1 194.322 1.328 10 0 ADAEMP CC(C)[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82802691 573204926 /nfs/dbraw/zinc/20/49/26/573204926.db2.gz MQGOGWOXMQIBSF-RKDXNWHRSA-N 2 1 158.289 1.452 10 0 ADAEMP CC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801151 573204955 /nfs/dbraw/zinc/20/49/55/573204955.db2.gz WXPZEFLBYLYMJG-HTQZYQBOSA-N 2 1 144.262 1.064 10 0 ADAEMP Cc1[nH+]cn([C@H](C)C[C@@H](C)[NH3+])c1C 82803861 573205135 /nfs/dbraw/zinc/20/51/35/573205135.db2.gz KOSLCFNTLNRYBJ-HTQZYQBOSA-N 2 1 181.283 1.798 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@H](C[NH3+])CC1(C)C 259376673 573208209 /nfs/dbraw/zinc/20/82/09/573208209.db2.gz LAUCCYHBLSKGMH-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238313167 573208254 /nfs/dbraw/zinc/20/82/54/573208254.db2.gz PMDGHGBMCAXGOL-FIQHERPVSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[C@@H]1CCC[N@@H+](C)C1 259379224 573218046 /nfs/dbraw/zinc/21/80/46/573218046.db2.gz NCNZSBIFEYMDAS-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[C@@H]1CC[N@H+](C)[C@H]1C[NH3+] 258588680 573218229 /nfs/dbraw/zinc/21/82/29/573218229.db2.gz SXJRKQVGGWSTIK-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C)[C@H]1C[NH3+] 258588680 573218233 /nfs/dbraw/zinc/21/82/33/573218233.db2.gz SXJRKQVGGWSTIK-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](C[NH2+]C)C(C)C 259036746 573218279 /nfs/dbraw/zinc/21/82/79/573218279.db2.gz QXMKOPFDRYUNGC-LLVKDONJSA-N 2 1 186.343 1.820 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C1CCC1 258588674 573218387 /nfs/dbraw/zinc/21/83/87/573218387.db2.gz SXJNLJMKSGPFSN-VIFPVBQESA-N 2 1 156.273 1.112 10 0 ADAEMP CC[NH2+]C1(C[NH3+])C[C@@H](C)C[C@H](C)C1 82830918 573218411 /nfs/dbraw/zinc/21/84/11/573218411.db2.gz QMDINLDSQFOFRI-UWVGGRQHSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C1CCC1 258588671 573218534 /nfs/dbraw/zinc/21/85/34/573218534.db2.gz SXJNLJMKSGPFSN-SECBINFHSA-N 2 1 156.273 1.112 10 0 ADAEMP CC(C)C[C@H]1CC[N@H+](C)[C@@H]1C[NH3+] 258588677 573218873 /nfs/dbraw/zinc/21/88/73/573218873.db2.gz SXJRKQVGGWSTIK-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C)[C@@H]1C[NH3+] 258588677 573218879 /nfs/dbraw/zinc/21/88/79/573218879.db2.gz SXJRKQVGGWSTIK-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CC[C@H](CCC[NH3+])[C@H](F)C1 257973252 573218929 /nfs/dbraw/zinc/21/89/29/573218929.db2.gz YWOFUPKIRGZMDD-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[N@H+]1CC[C@H](C2CC[NH2+]CC2)C1 259379369 573220838 /nfs/dbraw/zinc/22/08/38/573220838.db2.gz VZBNUWBSOLKMBK-NSHDSACASA-N 2 1 182.311 1.328 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@@H+](C)C1(C)C 259384247 573220940 /nfs/dbraw/zinc/22/09/40/573220940.db2.gz LKFGSTUKXRFBFH-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]C1(C[NH3+])C[C@H](C)C[C@@H](C)C1 82830919 573220982 /nfs/dbraw/zinc/22/09/82/573220982.db2.gz QMDINLDSQFOFRI-NXEZZACHSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1C[NH2+][C@@H](CC[NH+]2CCCCC2)O1 258592786 573221036 /nfs/dbraw/zinc/22/10/36/573221036.db2.gz QKFYABAERNQMPP-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]C(C)(C)C 258595282 573221046 /nfs/dbraw/zinc/22/10/46/573221046.db2.gz UJIQCZQPCMJGGC-ZETCQYMHSA-N 2 1 144.262 1.112 10 0 ADAEMP C[C@H]1CO[C@](C)(CC[NH+]2CCCC2)[NH2+]1 258592723 573223874 /nfs/dbraw/zinc/22/38/74/573223874.db2.gz QJHWTFCMDWSRLL-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1C[N@H+](CC2(N)CCCC2)C[C@@H]1C 86015515 573223961 /nfs/dbraw/zinc/22/39/61/573223961.db2.gz BDKZTEHCHAPNRG-PHIMTYICSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@@H](C)[C@H](C)C1 82837968 573224048 /nfs/dbraw/zinc/22/40/48/573224048.db2.gz UEFDBBIYIYSUOQ-GMTAPVOTSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)[C@@H](N)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015313 573224082 /nfs/dbraw/zinc/22/40/82/573224082.db2.gz SXJBJZLSICVHDK-AXFHLTTASA-N 2 1 184.327 1.558 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@H](C)[C@H](C)C1 82837965 573224105 /nfs/dbraw/zinc/22/41/05/573224105.db2.gz UEFDBBIYIYSUOQ-HBNTYKKESA-N 2 1 184.327 1.750 10 0 ADAEMP CC[N@@H+](C)CC[C@H]1CCC[NH+](C)C1 259038528 573224257 /nfs/dbraw/zinc/22/42/57/573224257.db2.gz ITEUEBUEMZQFOY-LLVKDONJSA-N 2 1 184.327 1.670 10 0 ADAEMP CC[NH+](C)CC[C@H]1CCC[N@H+](C)C1 259038528 573224262 /nfs/dbraw/zinc/22/42/62/573224262.db2.gz ITEUEBUEMZQFOY-LLVKDONJSA-N 2 1 184.327 1.670 10 0 ADAEMP CC[NH+](C)CC[C@H]1CCC[N@@H+](C)C1 259038528 573224268 /nfs/dbraw/zinc/22/42/68/573224268.db2.gz ITEUEBUEMZQFOY-LLVKDONJSA-N 2 1 184.327 1.670 10 0 ADAEMP CCC[N@H+]1CC[C@H](CC[NH3+])C1(C)C 259384078 573224675 /nfs/dbraw/zinc/22/46/75/573224675.db2.gz LIXMPJKZSYJEIQ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1C[C@](C[NH3+])([NH2+]C2CC2)CC[C@H]1C 82837980 573224701 /nfs/dbraw/zinc/22/47/01/573224701.db2.gz RJJPMOUHYHIDDB-JFGNBEQYSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](CC[NH+]2CCCCC2)O1 258592780 573224708 /nfs/dbraw/zinc/22/47/08/573224708.db2.gz QKFYABAERNQMPP-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1C[N@H+](CC(C)(C)C[NH3+])C[C@@H]1C 86012274 573226732 /nfs/dbraw/zinc/22/67/32/573226732.db2.gz AZZZQFIVYGSEBU-AOOOYVTPSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@@H]2[NH2+][C@@H](C)CO2)C1 258599982 573226751 /nfs/dbraw/zinc/22/67/51/573226751.db2.gz QPEVYHNCUUPAJO-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2[NH2+][C@@H](C)CO2)C1 258599982 573226758 /nfs/dbraw/zinc/22/67/58/573226758.db2.gz QPEVYHNCUUPAJO-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP CCCC[N@H+](CC(N)=[NH2+])[C@@H](C)CC 42681791 573226877 /nfs/dbraw/zinc/22/68/77/573226877.db2.gz USANQPTXZVWSHB-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP CCCC[N@@H+](CC(N)=[NH2+])[C@@H](C)CC 42681791 573226882 /nfs/dbraw/zinc/22/68/82/573226882.db2.gz USANQPTXZVWSHB-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012440 573226914 /nfs/dbraw/zinc/22/69/14/573226914.db2.gz XOHMQIDNISMPMM-AEJSXWLSSA-N 2 1 170.300 1.182 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@H]2CCC[N@@H+](C)C2)O1 258600247 573227002 /nfs/dbraw/zinc/22/70/02/573227002.db2.gz QRXNSISWCJHXDV-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1C 86010209 573227036 /nfs/dbraw/zinc/22/70/36/573227036.db2.gz GKWAZAWATCNBOY-HRDYMLBCSA-N 2 1 183.299 1.146 10 0 ADAEMP C[NH2+]C/C=C/[C@H]1CCC[N@@H+](C)C1 259038249 573227063 /nfs/dbraw/zinc/22/70/63/573227063.db2.gz ABMKEQKJOUPCNG-GFAPAMAISA-N 2 1 168.284 1.104 10 0 ADAEMP C[NH2+]C[C@H](C[N@@H+](C)C1CCC1)C(C)C 259040061 573227092 /nfs/dbraw/zinc/22/70/92/573227092.db2.gz RDLGTCIKAUERNL-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC1(C)CC[N@H+](C2CC2)CC[NH2+]1 259385235 573227819 /nfs/dbraw/zinc/22/78/19/573227819.db2.gz WMELOIPCXXKAOL-UHFFFAOYSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@H](C)[C@@H](C)C1 82837961 573227989 /nfs/dbraw/zinc/22/79/89/573227989.db2.gz GLDYULBMSFYNGC-LPEHRKFASA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009479 573228032 /nfs/dbraw/zinc/22/80/32/573228032.db2.gz JFHWBZPCTQODTI-KXUCPTDWSA-N 2 1 170.300 1.182 10 0 ADAEMP C[C@@H]([C@@H]1CCC[N@@H+](C)C1)[NH+](C)C 259037925 573228041 /nfs/dbraw/zinc/22/80/41/573228041.db2.gz AQDGTXIJBXRNPW-VHSXEESVSA-N 2 1 170.300 1.278 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCC[N@@H+](C)C2)O1 258600253 573228118 /nfs/dbraw/zinc/22/81/18/573228118.db2.gz QRXNSISWCJHXDV-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@@H+](C)CC[C@@H]1CCC[NH+](C)C1 259038529 573229858 /nfs/dbraw/zinc/22/98/58/573229858.db2.gz ITEUEBUEMZQFOY-NSHDSACASA-N 2 1 184.327 1.670 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@H]2[NH2+][C@@H](C)CO2)C1 258599980 573229492 /nfs/dbraw/zinc/22/94/92/573229492.db2.gz QPEVYHNCUUPAJO-DCAQKATOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H]2[NH2+][C@@H](C)CO2)C1 258599980 573229494 /nfs/dbraw/zinc/22/94/94/573229494.db2.gz QPEVYHNCUUPAJO-DCAQKATOSA-N 2 1 198.310 1.053 10 0 ADAEMP CCC(CC)C[N@@H+](C)C[C@H](C)C[NH3+] 129103055 573229513 /nfs/dbraw/zinc/22/95/13/573229513.db2.gz BCHZGOFGJXSHOU-SNVBAGLBSA-N 2 1 186.343 1.949 10 0 ADAEMP CNC(C)(C)C[NH+]1C[C@H](C)[C@@H](C)C1 86015217 573229610 /nfs/dbraw/zinc/22/96/10/573229610.db2.gz RWUVRZVEOUGTJA-UWVGGRQHSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]CC2)C[C@@H]1C 86012626 573229696 /nfs/dbraw/zinc/22/96/96/573229696.db2.gz GUTOQDFTARRMJQ-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H](C)CC[NH3+])C[C@@H]1C 86008517 573229746 /nfs/dbraw/zinc/22/97/46/573229746.db2.gz HPAWWRAPYFNOPN-AEJSXWLSSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1C[C@@H](C)[C@@H](C)C1 86010220 573229788 /nfs/dbraw/zinc/22/97/88/573229788.db2.gz KSRJYMUYJXUBRA-YIZRAAEISA-N 2 1 183.299 1.289 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010220 573229793 /nfs/dbraw/zinc/22/97/93/573229793.db2.gz KSRJYMUYJXUBRA-YIZRAAEISA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1C 86010139 573229808 /nfs/dbraw/zinc/22/98/08/573229808.db2.gz RPFXOBNTCLIKNU-AOOOYVTPSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])c1cnc([C@@H]2CC[N@@H+](C)C2)o1 258241964 573234531 /nfs/dbraw/zinc/23/45/31/573234531.db2.gz WIYYLJAHHYZIFY-JGVFFNPUSA-N 2 1 195.266 1.113 10 0 ADAEMP C[C@@H]([NH3+])c1cnc([C@H]2CC[N@@H+](C)C2)o1 258241965 573234569 /nfs/dbraw/zinc/23/45/69/573234569.db2.gz WIYYLJAHHYZIFY-SFYZADRCSA-N 2 1 195.266 1.113 10 0 ADAEMP C[C@H]([NH3+])c1cnc([C@H]2CC[N@@H+](C)C2)o1 258241969 573234619 /nfs/dbraw/zinc/23/46/19/573234619.db2.gz WIYYLJAHHYZIFY-YUMQZZPRSA-N 2 1 195.266 1.113 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015660 573234622 /nfs/dbraw/zinc/23/46/22/573234622.db2.gz KSJSAISZEJEDNR-WYUUTHIRSA-N 2 1 196.338 1.430 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1C[C@@H]2CC[C@H]1C2 238323609 573234997 /nfs/dbraw/zinc/23/49/97/573234997.db2.gz DRBIKJHFEYSJJQ-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1C[C@@H]2CC[C@H]1C2 238323609 573235001 /nfs/dbraw/zinc/23/50/01/573235001.db2.gz DRBIKJHFEYSJJQ-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP [NH3+]C[C@]1([NH2+]CC2CC2)CCC[C@H]2C[C@H]21 308527416 573235102 /nfs/dbraw/zinc/23/51/02/573235102.db2.gz JHTZNUFESQCMNQ-QJPTWQEYSA-N 2 1 194.322 1.504 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)O1 258243239 573235147 /nfs/dbraw/zinc/23/51/47/573235147.db2.gz AHHCNMXEIHHHHE-HBNTYKKESA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)O1 258243239 573235151 /nfs/dbraw/zinc/23/51/51/573235151.db2.gz AHHCNMXEIHHHHE-HBNTYKKESA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)O1 258243246 573235415 /nfs/dbraw/zinc/23/54/15/573235415.db2.gz AHHCNMXEIHHHHE-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C)O1 258243246 573235419 /nfs/dbraw/zinc/23/54/19/573235419.db2.gz AHHCNMXEIHHHHE-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1C[C@H]2CCCC[C@H]1C[NH2+]C2 238323249 573235645 /nfs/dbraw/zinc/23/56/45/573235645.db2.gz SZEFBCDPUDHTMO-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[N@@H+](CCOC)C(C)(C)C[NH3+] 50091163 573235816 /nfs/dbraw/zinc/23/58/16/573235816.db2.gz PRRPHKSFXGVLHP-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@H+]1CC[C@H](SC(C)(C)C[NH3+])C1 259041910 573238764 /nfs/dbraw/zinc/23/87/64/573238764.db2.gz KSPFTXPEFYRYJO-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP [NH3+]C[C@]1([NH2+]CC2CC2)CCC[C@@H]2C[C@@H]21 308527414 573238823 /nfs/dbraw/zinc/23/88/23/573238823.db2.gz JHTZNUFESQCMNQ-GRYCIOLGSA-N 2 1 194.322 1.504 10 0 ADAEMP C[C@@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)[C@@H]1C 82860102 573238881 /nfs/dbraw/zinc/23/88/81/573238881.db2.gz MVKMGIHWANYETR-FOGDFJRCSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[NH+]1CCCCC1 238314380 573240575 /nfs/dbraw/zinc/24/05/75/573240575.db2.gz RIACAIHGYAXKPV-SNVBAGLBSA-N 2 1 170.300 1.674 10 0 ADAEMP C[C@@H]1CC[C@](C[NH3+])([NH2+]C2CC2)[C@H](C)C1 82860100 573240732 /nfs/dbraw/zinc/24/07/32/573240732.db2.gz ZWSZYJQZVMQQDP-CKYFFXLPSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[C@]1(C[NH3+])[NH2+]C1CC1 82860094 573240742 /nfs/dbraw/zinc/24/07/42/573240742.db2.gz SOXPGHXKUYMROF-JFGNBEQYSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@@H](C)C[C@H]1C 82860050 573240764 /nfs/dbraw/zinc/24/07/64/573240764.db2.gz FHNIRSJYOOAGEK-BBBLOLIVSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@H](C)[C@H]1C 82860055 573240792 /nfs/dbraw/zinc/24/07/92/573240792.db2.gz GLQXZEKURZFLGO-AEJSXWLSSA-N 2 1 170.300 1.359 10 0 ADAEMP C[N@H+]1CC[C@@H](CC2CC([NH3+])C2)C1 259044060 573241013 /nfs/dbraw/zinc/24/10/13/573241013.db2.gz DAUPSSDKJZTSOK-IDKOKCKLSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC(CC)C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 129157264 573241382 /nfs/dbraw/zinc/24/13/82/573241382.db2.gz MWIAXXQXFZRMLF-SECBINFHSA-N 2 1 199.342 1.926 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@@H](C)C[C@@H]1C 82860064 573241510 /nfs/dbraw/zinc/24/15/10/573241510.db2.gz JCMQALLHLQSCQV-VWYCJHECSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CC2CCC1CC2 308521321 573242078 /nfs/dbraw/zinc/24/20/78/573242078.db2.gz SRWKWLCAXBCMLW-XKGSQUFQSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[N@@H+](C)CC1(C[NH2+]C)CCC1 259045117 573242114 /nfs/dbraw/zinc/24/21/14/573242114.db2.gz RSBZHMFNAOTNDI-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CC1(C)CCC1 308320956 573243508 /nfs/dbraw/zinc/24/35/08/573243508.db2.gz BBHFCRAPVLBLTH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1C[C@H]1C1CC1 716639786 573243685 /nfs/dbraw/zinc/24/36/85/573243685.db2.gz OUOHGFXLOATSBQ-KXGXSXBTSA-N 2 1 194.322 1.597 10 0 ADAEMP CC(C)(C)[C@]1(C[NH3+])CCCC[NH2+]1 258609603 573246063 /nfs/dbraw/zinc/24/60/63/573246063.db2.gz ILHXUEGOUBWAFZ-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)C1CC([NH2+]C[C@H]2CC[NH2+]2)C1 714659700 573245546 /nfs/dbraw/zinc/24/55/46/573245546.db2.gz MAXXQOXZUIEPEW-HSOILSAZSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@H]1C[C@H]1C1CC1 716639799 573245929 /nfs/dbraw/zinc/24/59/29/573245929.db2.gz OUOHGFXLOATSBQ-YJQGPUDQSA-N 2 1 194.322 1.597 10 0 ADAEMP C[C@H]([NH3+])CCC[C@@H]1CC[N@@H+](C)C1 259049938 573246614 /nfs/dbraw/zinc/24/66/14/573246614.db2.gz DRDLQMSBOGTJIG-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1C[C@@]1(C[NH3+])[C@H]1CCC[N@@H+](C)C1 259051720 573246951 /nfs/dbraw/zinc/24/69/51/573246951.db2.gz VGVXDVXXRGAQOD-VWYCJHECSA-N 2 1 182.311 1.313 10 0 ADAEMP COC(C)(C)[C@@H]([NH3+])c1c[nH+]ccc1N 86073003 573249314 /nfs/dbraw/zinc/24/93/14/573249314.db2.gz DQKDJWLAINNZIV-VIFPVBQESA-N 2 1 195.266 1.089 10 0 ADAEMP C[C@@H]1C[C@]1(C[NH3+])[C@H]1CCC[N@@H+](C)C1 259051718 573249656 /nfs/dbraw/zinc/24/96/56/573249656.db2.gz VGVXDVXXRGAQOD-OUAUKWLOSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@@H]1CO[C@@](C)(C[C@H]2CC[N@@H+](C)C2)[NH2+]1 258247913 573249748 /nfs/dbraw/zinc/24/97/48/573249748.db2.gz ALBUTNQTTHJOMH-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1C[C@@]1(C[NH3+])[C@@H]1CCC[N@@H+](C)C1 259051715 573250912 /nfs/dbraw/zinc/25/09/12/573250912.db2.gz VGVXDVXXRGAQOD-MXWKQRLJSA-N 2 1 182.311 1.313 10 0 ADAEMP Cc1ccsc1[C@@H]([NH3+])C1C[NH2+]C1 259392166 573253787 /nfs/dbraw/zinc/25/37/87/573253787.db2.gz NROKJJTVWOLDNN-QMMMGPOBSA-N 2 1 182.292 1.276 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](/C=C\CC[NH3+])C1 258250906 573253879 /nfs/dbraw/zinc/25/38/79/573253879.db2.gz QQESJQDGNCCOLM-MZBZXASESA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)C[NH2+]1 716644913 573255390 /nfs/dbraw/zinc/25/53/90/573255390.db2.gz LKZAKAURGRZCOA-NUGNTBJXSA-N 2 1 194.322 1.515 10 0 ADAEMP CC(C)Cc1c[nH]c(CC[C@@H](C)[NH3+])[nH+]1 259055140 573255401 /nfs/dbraw/zinc/25/54/01/573255401.db2.gz JEACDXJYHGUTDS-SECBINFHSA-N 2 1 195.310 1.888 10 0 ADAEMP CC[C@H]1NCC[C@H]2CCCC[N@@H+]12 238317705 573255497 /nfs/dbraw/zinc/25/54/97/573255497.db2.gz GBUZYSJAMHHKGI-ZJUUUORDSA-N 2 1 168.284 1.570 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC2CC2)C1 308529746 573255579 /nfs/dbraw/zinc/25/55/79/573255579.db2.gz JWJOJMHLTPJQPX-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@H]([NH3+])CC2CC2)C1 308529740 573255736 /nfs/dbraw/zinc/25/57/36/573255736.db2.gz JWJOJMHLTPJQPX-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)CCC1CC1 393578608 573256959 /nfs/dbraw/zinc/25/69/59/573256959.db2.gz CKROVQDSWGVEOU-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749389 573257070 /nfs/dbraw/zinc/25/70/70/573257070.db2.gz OZFBTYWYRNXTQO-UBJLHIIHSA-N 2 1 182.311 1.739 10 0 ADAEMP C[N@H+]1CC[C@H]([C@]2(C)[NH2+]CC(C)(C)O2)C1 258260295 573257263 /nfs/dbraw/zinc/25/72/63/573257263.db2.gz AVFDFJFKAMFLTK-GXSJLCMTSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@H]([NH3+])CSC)C1 257980461 573258085 /nfs/dbraw/zinc/25/80/85/573258085.db2.gz CMFUOQDYZFHPPY-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258613977 573259857 /nfs/dbraw/zinc/25/98/57/573259857.db2.gz QYLJIVAIQNKAIF-VWYCJHECSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258613977 573259859 /nfs/dbraw/zinc/25/98/59/573259859.db2.gz QYLJIVAIQNKAIF-VWYCJHECSA-N 2 1 198.310 1.051 10 0 ADAEMP [NH3+]CC[N@@H+]1CC[C@@H]2CCCC[C@H]21 116322724 573259999 /nfs/dbraw/zinc/25/99/99/573259999.db2.gz HFJDWLWQQGWUJI-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1CC[C@@H]2CCCC[C@H]21 116322724 573260006 /nfs/dbraw/zinc/26/00/06/573260006.db2.gz HFJDWLWQQGWUJI-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@@H+]1CC[C@H]2CCCC[C@H]21 116322733 573261064 /nfs/dbraw/zinc/26/10/64/573261064.db2.gz HFJDWLWQQGWUJI-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1CC[C@H]2CCCC[C@H]21 116322733 573261069 /nfs/dbraw/zinc/26/10/69/573261069.db2.gz HFJDWLWQQGWUJI-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]21 116322736 573261122 /nfs/dbraw/zinc/26/11/22/573261122.db2.gz HFJDWLWQQGWUJI-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1CC[C@H]2CCCC[C@@H]21 116322736 573261128 /nfs/dbraw/zinc/26/11/28/573261128.db2.gz HFJDWLWQQGWUJI-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP C[NH2+]CCCc1[nH]cc(CC(C)C)[nH+]1 259053004 573261141 /nfs/dbraw/zinc/26/11/41/573261141.db2.gz IXBLCTRZVLEZKW-UHFFFAOYSA-N 2 1 195.310 1.760 10 0 ADAEMP Cc1cnc([C@@H](C)[NH2+]CCC[NH3+])s1 125998519 573261189 /nfs/dbraw/zinc/26/11/89/573261189.db2.gz JWSZSDQQLQYXNC-MRVPVSSYSA-N 2 1 199.323 1.451 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@]2(C)[NH2+]CC(C)(C)O2)C1 258260304 573261258 /nfs/dbraw/zinc/26/12/58/573261258.db2.gz AVFDFJFKAMFLTK-KOLCDFICSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 716650923 573261321 /nfs/dbraw/zinc/26/13/21/573261321.db2.gz LYONTJDTAWTKEG-GCHJQGSQSA-N 2 1 194.322 1.312 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258613947 573261448 /nfs/dbraw/zinc/26/14/48/573261448.db2.gz QYLJIVAIQNKAIF-MXWKQRLJSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H]2[NH2+]C[C@@H](C)O2)C1 258613947 573261451 /nfs/dbraw/zinc/26/14/51/573261451.db2.gz QYLJIVAIQNKAIF-MXWKQRLJSA-N 2 1 198.310 1.051 10 0 ADAEMP Cc1[nH+]ccn1Cc1cc(N)cc[nH+]1 86134722 573269250 /nfs/dbraw/zinc/26/92/50/573269250.db2.gz CANFCEKMFNIVGV-UHFFFAOYSA-N 2 1 188.234 1.217 10 0 ADAEMP COCC(C)(C)[N@@H+](C)C(C)(C)C[NH3+] 308339321 573270234 /nfs/dbraw/zinc/27/02/34/573270234.db2.gz PWUKBEWJHSKZTB-UHFFFAOYSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](Cn1cc[nH+]c1C)[NH2+]C 50180216 573270313 /nfs/dbraw/zinc/27/03/13/573270313.db2.gz MLQLPTJEWQTVBX-SECBINFHSA-N 2 1 167.256 1.190 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)Cc1cc(N)cc[nH+]1 86134467 573270379 /nfs/dbraw/zinc/27/03/79/573270379.db2.gz XFFAIYBNBDXYIC-SECBINFHSA-N 2 1 193.294 1.894 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1C[C@@H](CC)[NH2+]C 50179406 573270711 /nfs/dbraw/zinc/27/07/11/573270711.db2.gz CENWXPVNNPRHHH-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+]1CC=C(C[NH2+]C2CCC2)C1 258273938 573270718 /nfs/dbraw/zinc/27/07/18/573270718.db2.gz ZFDHNFISXLKNBX-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC[N@H+]1CC=C(C[NH2+]C2CCC2)C1 258273938 573270722 /nfs/dbraw/zinc/27/07/22/573270722.db2.gz ZFDHNFISXLKNBX-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C[C@@]1(C)NCCO1 258272341 573270778 /nfs/dbraw/zinc/27/07/78/573270778.db2.gz BFKTUVSKLCKFLN-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]1C[C@@]1(C)[NH2+]CCO1 258272341 573270782 /nfs/dbraw/zinc/27/07/82/573270782.db2.gz BFKTUVSKLCKFLN-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C[C@@]1(C)[NH2+]CCO1 258272341 573270786 /nfs/dbraw/zinc/27/07/86/573270786.db2.gz BFKTUVSKLCKFLN-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC[C@@H]([NH3+])Cn1cc[nH+]c1C(C)C 50180399 573270794 /nfs/dbraw/zinc/27/07/94/573270794.db2.gz KLUIWWCVIVNRLA-SECBINFHSA-N 2 1 181.283 1.744 10 0 ADAEMP CC[C@@H](C[N@H+]1CCC[C@@H]1C)[NH2+]C 50179399 573270838 /nfs/dbraw/zinc/27/08/38/573270838.db2.gz VTKISHNWHLWLSR-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CN1CCC[C@@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258272467 573270932 /nfs/dbraw/zinc/27/09/32/573270932.db2.gz BHHLDXLRBALVJE-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@H](CC2([NH3+])CC2)C1 257989422 573270936 /nfs/dbraw/zinc/27/09/36/573270936.db2.gz LKQUVKWIGYEAKO-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258272467 573270937 /nfs/dbraw/zinc/27/09/37/573270937.db2.gz BHHLDXLRBALVJE-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258272467 573270949 /nfs/dbraw/zinc/27/09/49/573270949.db2.gz BHHLDXLRBALVJE-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@H]([NH3+])Cn1cc[nH+]c1C(C)C 50180398 573270959 /nfs/dbraw/zinc/27/09/59/573270959.db2.gz KLUIWWCVIVNRLA-VIFPVBQESA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@@H]1CCC[N@H+]1Cc1cc(N)cc[nH+]1 86134353 573272852 /nfs/dbraw/zinc/27/28/52/573272852.db2.gz XLPCPFXVVOUVLT-SECBINFHSA-N 2 1 191.278 1.648 10 0 ADAEMP CCn1cc(C[NH2+]C2CCC2)nc1N 258273769 573272952 /nfs/dbraw/zinc/27/29/52/573272952.db2.gz SSKISKKQQDPOGA-UHFFFAOYSA-N 2 1 194.282 1.127 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])CC 50180630 573273114 /nfs/dbraw/zinc/27/31/14/573273114.db2.gz NCBGMFXTMDJTEI-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP C[N@H+](CCCC[NH3+])Cc1cscn1 42860495 573273118 /nfs/dbraw/zinc/27/31/18/573273118.db2.gz JSHPMOMIQDLQHA-UHFFFAOYSA-N 2 1 199.323 1.314 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1cscn1 42860495 573273126 /nfs/dbraw/zinc/27/31/26/573273126.db2.gz JSHPMOMIQDLQHA-UHFFFAOYSA-N 2 1 199.323 1.314 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCCC[N@@H+]2C)O1 258618116 573277261 /nfs/dbraw/zinc/27/72/61/573277261.db2.gz RCEFUZVYPZSVEJ-VWYCJHECSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCCC[N@H+]2C)O1 258618116 573277266 /nfs/dbraw/zinc/27/72/66/573277266.db2.gz RCEFUZVYPZSVEJ-VWYCJHECSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CCc2ccsc2[C@@H]1CC[NH3+] 74240950 573279248 /nfs/dbraw/zinc/27/92/48/573279248.db2.gz ORGJSDXKPLURHW-VIFPVBQESA-N 2 1 196.319 1.626 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 238332732 573281026 /nfs/dbraw/zinc/28/10/26/573281026.db2.gz UTVBRRSXCIWGTN-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923127 573281222 /nfs/dbraw/zinc/28/12/22/573281222.db2.gz NXGFNNMPKKQAKY-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923127 573281227 /nfs/dbraw/zinc/28/12/27/573281227.db2.gz NXGFNNMPKKQAKY-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@@H+]1CCC(C)(C)C[C@@H]1C[NH3+] 238332651 573281793 /nfs/dbraw/zinc/28/17/93/573281793.db2.gz LKEZJQVLBRBRAP-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]1C[NH3+] 238332651 573281796 /nfs/dbraw/zinc/28/17/96/573281796.db2.gz LKEZJQVLBRBRAP-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+](CC(C)C)[C@@H](C)C(N)=[NH2+] 393580839 573281886 /nfs/dbraw/zinc/28/18/86/573281886.db2.gz GEVYVCPGYUQWAB-VIFPVBQESA-N 2 1 185.315 1.679 10 0 ADAEMP CCC[C@@H](C1CC1)[N@H+]1CC[C@@H](C[NH3+])C1 308539544 573281887 /nfs/dbraw/zinc/28/18/87/573281887.db2.gz MHACJYSNIKILQL-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@@H+](CC(C)C)[C@@H](C)C(N)=[NH2+] 393580839 573281892 /nfs/dbraw/zinc/28/18/92/573281892.db2.gz GEVYVCPGYUQWAB-VIFPVBQESA-N 2 1 185.315 1.679 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](CC2CC2)C1 238332937 573281894 /nfs/dbraw/zinc/28/18/94/573281894.db2.gz ZVNRMMIZZCLYPS-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C1CCC(N[C@@H]2CCCC[NH2+]2)=[NH+]C1 257783217 573281924 /nfs/dbraw/zinc/28/19/24/573281924.db2.gz RQJBXLMVEVCYMA-SECBINFHSA-N 2 1 181.283 1.258 10 0 ADAEMP CCC(C)(C)OCC[NH2+][C@@H](C)C[NH3+] 308540211 573281990 /nfs/dbraw/zinc/28/19/90/573281990.db2.gz IXAAYTMPDWRLBY-VIFPVBQESA-N 2 1 188.315 1.128 10 0 ADAEMP C[C@@H]1CO[C@@](C)([C@H]2CCC[N@H+](C)C2)[NH2+]1 258619043 573283695 /nfs/dbraw/zinc/28/36/95/573283695.db2.gz REOKYFYEMUYEDJ-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1CO[C@@](C)([C@H]2CCC[N@@H+](C)C2)[NH2+]1 258619043 573283702 /nfs/dbraw/zinc/28/37/02/573283702.db2.gz REOKYFYEMUYEDJ-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1CO[C@@](C)([C@@H]2CCC[N@H+](C)C2)[NH2+]1 258618991 573283803 /nfs/dbraw/zinc/28/38/03/573283803.db2.gz REOKYFYEMUYEDJ-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1CO[C@@](C)([C@@H]2CCC[N@@H+](C)C2)[NH2+]1 258618991 573283807 /nfs/dbraw/zinc/28/38/07/573283807.db2.gz REOKYFYEMUYEDJ-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@@H+](CCC1CC1)CCC1([NH3+])CCC1 308537573 573283889 /nfs/dbraw/zinc/28/38/89/573283889.db2.gz TVTZONSFSXREOW-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[NH2+]C[C@]1([C@H]2CC[N@@H+](C)C2)C[C@@H]1C 259067710 573283919 /nfs/dbraw/zinc/28/39/19/573283919.db2.gz XQWKTYJLTSIWQB-GARJFASQSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1CO[C@](C)([C@@H]2CCC[N@H+](C)C2)[NH2+]1 258618958 573283943 /nfs/dbraw/zinc/28/39/43/573283943.db2.gz REOKYFYEMUYEDJ-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1CO[C@](C)([C@@H]2CCC[N@@H+](C)C2)[NH2+]1 258618958 573283947 /nfs/dbraw/zinc/28/39/47/573283947.db2.gz REOKYFYEMUYEDJ-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP CCC[C@@H](C1CC1)[N@H+]1CC[C@H](C[NH3+])C1 308539546 573284009 /nfs/dbraw/zinc/28/40/09/573284009.db2.gz MHACJYSNIKILQL-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CO[C@](C)([C@H]2CCC[N@@H+](C)C2)[NH2+]1 258619018 573284365 /nfs/dbraw/zinc/28/43/65/573284365.db2.gz REOKYFYEMUYEDJ-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923254 573284382 /nfs/dbraw/zinc/28/43/82/573284382.db2.gz LJDLUVRXUXJDHF-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923254 573284391 /nfs/dbraw/zinc/28/43/91/573284391.db2.gz LJDLUVRXUXJDHF-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[C@@H]1CC[N@@H+](C)C1 259402264 573284491 /nfs/dbraw/zinc/28/44/91/573284491.db2.gz OEQCHMVBYIPCDV-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[C@H]1CC[N@@H+](C)C1 259402259 573284551 /nfs/dbraw/zinc/28/45/51/573284551.db2.gz OEQCHMVBYIPCDV-MNOVXSKESA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)CCCC[NH2+]CC1([NH3+])CC1 147585193 573284620 /nfs/dbraw/zinc/28/46/20/573284620.db2.gz KNQFVRZREYOLOC-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC(C)(C)C[NH3+])C1 259403225 573284796 /nfs/dbraw/zinc/28/47/96/573284796.db2.gz IKSUTVBSTGVFDN-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C1CCC(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923198 573285020 /nfs/dbraw/zinc/28/50/20/573285020.db2.gz UHCULJHJHXVERW-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H](C)[N@@H+]1CC=C(C[NH3+])CC1 259067395 573285131 /nfs/dbraw/zinc/28/51/31/573285131.db2.gz BNFZWTBNLGARFD-SECBINFHSA-N 2 1 168.284 1.376 10 0 ADAEMP C1CCC(N[C@H]2CCCC[NH2+]2)=[NH+]C1 257783220 573285299 /nfs/dbraw/zinc/28/52/99/573285299.db2.gz RQJBXLMVEVCYMA-VIFPVBQESA-N 2 1 181.283 1.258 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H]2C[NH2+][C@H](C)C2)C1 258278081 573285444 /nfs/dbraw/zinc/28/54/44/573285444.db2.gz SJYLNCLBSNBZBU-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+]CCCn1c[nH+]c2c1CCCCC2 74247529 573286288 /nfs/dbraw/zinc/28/62/88/573286288.db2.gz UXVWUHVJXGEJIZ-UHFFFAOYSA-N 2 1 193.294 1.501 10 0 ADAEMP C[NH2+]C[C@]1([C@@H]2CC[N@@H+](C)C2)C[C@H]1C 259067712 573286301 /nfs/dbraw/zinc/28/63/01/573286301.db2.gz XQWKTYJLTSIWQB-GMTAPVOTSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](C)C2)C[NH2+]1 258279969 573288041 /nfs/dbraw/zinc/28/80/41/573288041.db2.gz SLOXNHDZVMHIHZ-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+]C[C@]1(c2ccc(F)cc2)CCC[NH2+]1 258280839 573288230 /nfs/dbraw/zinc/28/82/30/573288230.db2.gz RLZIHBCYGRMDJK-NSHDSACASA-N 2 1 194.253 1.363 10 0 ADAEMP CC[N@H+]1CCC[C@H]1CC1([NH3+])CCC1 257994783 573288412 /nfs/dbraw/zinc/28/84/12/573288412.db2.gz LVRJJHDZYWHYTF-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1(C)C 259405015 573290757 /nfs/dbraw/zinc/29/07/57/573290757.db2.gz MMYPJSBLCKBSDV-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+]1CC2CC(C2)[C@@H]1C[NH3+] 258619990 573290807 /nfs/dbraw/zinc/29/08/07/573290807.db2.gz WOUBTXIQHQZPBM-RTBKNWGFSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)[N@H+]1CC2CC(C2)[C@@H]1C[NH3+] 258619990 573290811 /nfs/dbraw/zinc/29/08/11/573290811.db2.gz WOUBTXIQHQZPBM-RTBKNWGFSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@]12CCC[N@@H+](C)CC2 86192128 573290904 /nfs/dbraw/zinc/29/09/04/573290904.db2.gz BMEKBLHUKWQEEI-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP Cc1cccc(NC[C@@H](N)C[NH3+])c1C 259070533 573293985 /nfs/dbraw/zinc/29/39/85/573293985.db2.gz XJFIJCPCXGFLEB-JTQLQIEISA-N 2 1 193.294 1.001 10 0 ADAEMP CC[C@@H]1C[NH2+]CC[C@H]1c1c[nH+]cn1C 86194073 573294276 /nfs/dbraw/zinc/29/42/76/573294276.db2.gz USFNZXBNQTVRQY-NXEZZACHSA-N 2 1 193.294 1.523 10 0 ADAEMP C[NH2+]C/C=C\[C@@H]1CCC[N@@H+](C)C1 257996801 573296582 /nfs/dbraw/zinc/29/65/82/573296582.db2.gz ABMKEQKJOUPCNG-TZGMSPROSA-N 2 1 168.284 1.104 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@]2(C)CCC[NH2+]2)C1 257998723 573297782 /nfs/dbraw/zinc/29/77/82/573297782.db2.gz AGBZYLQRGFNMQS-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP c1cc2c([C@H]3CC[NH2+]C3)[nH+]ccc2[nH]1 74278819 573297791 /nfs/dbraw/zinc/29/77/91/573297791.db2.gz BNBHYYZCNDWXJG-QMMMGPOBSA-N 2 1 187.246 1.640 10 0 ADAEMP [NH3+]CC1([C@H]([NH3+])c2ccccn2)CCC1 259407295 573297934 /nfs/dbraw/zinc/29/79/34/573297934.db2.gz MBSVHMXEABBBTM-SNVBAGLBSA-N 2 1 191.278 1.210 10 0 ADAEMP CCc1c[nH]c(CC[C@@H](C)[NH3+])[nH+]1 259079033 573305773 /nfs/dbraw/zinc/30/57/73/573305773.db2.gz LLJZAMFHHGHQHR-SSDOTTSWSA-N 2 1 167.256 1.252 10 0 ADAEMP C[NH2+]C/C=C\[C@@H]1CC[N@H+](C(C)C)C1 258286192 573305905 /nfs/dbraw/zinc/30/59/05/573305905.db2.gz SYKBJDLZOUGMLH-DOGVGXBMSA-N 2 1 182.311 1.492 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@]1(C)C[C@@H]1C 714669439 573305908 /nfs/dbraw/zinc/30/59/08/573305908.db2.gz UBAGZNLTKAJLSA-IVZWLZJFSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)[N@H+]1CCC=C(CC[NH+](C)C)C1 258286241 573306138 /nfs/dbraw/zinc/30/61/38/573306138.db2.gz ZVARFCIENJWZCG-UHFFFAOYSA-N 2 1 196.338 1.979 10 0 ADAEMP C[NH2+][C@@H]1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C 238340681 573308061 /nfs/dbraw/zinc/30/80/61/573308061.db2.gz JDYBABICYWXREW-XFWSIPNHSA-N 2 1 170.300 1.181 10 0 ADAEMP C[C@H](C[NH2+][C@]1(C[NH3+])CC[C@@H]1C)C1CC1 308544404 573308102 /nfs/dbraw/zinc/30/81/02/573308102.db2.gz PCMNTZMEJNLTHB-SCVCMEIPSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[N@H+]1CCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258255350 573308135 /nfs/dbraw/zinc/30/81/35/573308135.db2.gz QWENZZNXGMDBJU-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[NH2+]Cc1ccco1 258624339 573308179 /nfs/dbraw/zinc/30/81/79/573308179.db2.gz JWCGILBGKKABBF-JTQLQIEISA-N 2 1 196.294 1.615 10 0 ADAEMP CCC[N@H+]1CC(C)(C)NCC[C@@H]1C 82943003 573308290 /nfs/dbraw/zinc/30/82/90/573308290.db2.gz LAINCFUBFILTBK-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@@H]([NH3+])c1cccnc1 259411574 573308406 /nfs/dbraw/zinc/30/84/06/573308406.db2.gz MFLBNZGDTRPQTB-GXSJLCMTSA-N 2 1 193.294 1.327 10 0 ADAEMP CC[C@]1(C)CN(CC2CC2)CCC[NH2+]1 82942098 573308454 /nfs/dbraw/zinc/30/84/54/573308454.db2.gz BFCHGCMBBOLDEO-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1C[C@](C)(C2CC2)NCC[C@@H]1C 82943179 573308483 /nfs/dbraw/zinc/30/84/83/573308483.db2.gz BYLGNXMSFZOBHG-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCN1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C 82943179 573308486 /nfs/dbraw/zinc/30/84/86/573308486.db2.gz BYLGNXMSFZOBHG-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C)NCC[C@H]1C 82942454 573308522 /nfs/dbraw/zinc/30/85/22/573308522.db2.gz FQHZAHBWNSGJFZ-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@H+]1CCC[NH2+]C2(CCCC2)C1 82941666 573309816 /nfs/dbraw/zinc/30/98/16/573309816.db2.gz AGZJFDMKFRQQMY-UHFFFAOYSA-N 2 1 168.284 1.224 10 0 ADAEMP C[C@@H]1CCNC(C)(C)C[N@H+]1C 82943024 573310390 /nfs/dbraw/zinc/31/03/90/573310390.db2.gz QBEPUMVDNLDTGP-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@@]1(C)CN(CC2CC2)CCC[NH2+]1 82942100 573309885 /nfs/dbraw/zinc/30/98/85/573309885.db2.gz BFCHGCMBBOLDEO-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C1C[NH2+][C@@H](C2CC2)CN(CC2CC2)C1 82942031 573310047 /nfs/dbraw/zinc/31/00/47/573310047.db2.gz NBWTZFXRDXYMJR-GFCCVEGCSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC)[C@H](C)CCN1 82943337 573310097 /nfs/dbraw/zinc/31/00/97/573310097.db2.gz YKKCHLBTZBSILA-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]1CN(CC)[C@H](C)CC[NH2+]1 82943337 573310100 /nfs/dbraw/zinc/31/01/00/573310100.db2.gz YKKCHLBTZBSILA-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H]1CCNC(C)(C)C[N@H+]1C 82943026 573310151 /nfs/dbraw/zinc/31/01/51/573310151.db2.gz QBEPUMVDNLDTGP-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@H]1CC[NH2+]C(C)(C)CN1C 82943026 573310154 /nfs/dbraw/zinc/31/01/54/573310154.db2.gz QBEPUMVDNLDTGP-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C2CC2)NCC[C@@H]1C 82943513 573310197 /nfs/dbraw/zinc/31/01/97/573310197.db2.gz LRJXKPBSCWTSRE-CMPLNLGQSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)N1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943513 573310205 /nfs/dbraw/zinc/31/02/05/573310205.db2.gz LRJXKPBSCWTSRE-CMPLNLGQSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 82941759 573310221 /nfs/dbraw/zinc/31/02/21/573310221.db2.gz YJYSRXXPPYEICN-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP Cc1[nH+]cn2c1CCC[C@H]2CC[NH3+] 74304421 573310290 /nfs/dbraw/zinc/31/02/90/573310290.db2.gz HZQUWLIAUNCDAG-VIFPVBQESA-N 2 1 179.267 1.418 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC[C@@H]([NH3+])C1 74304545 573310300 /nfs/dbraw/zinc/31/03/00/573310300.db2.gz VKCRYNCGGNJPLA-ZJUUUORDSA-N 2 1 179.267 1.634 10 0 ADAEMP C[C@H]1CCNCC[N@H+]1CC1CC1 82942840 573310307 /nfs/dbraw/zinc/31/03/07/573310307.db2.gz DUVOAXWGFIOILK-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[NH2+]CCN1CC1CC1 82942840 573310309 /nfs/dbraw/zinc/31/03/09/573310309.db2.gz DUVOAXWGFIOILK-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C)NCC[C@@H]1C 82942455 573314077 /nfs/dbraw/zinc/31/40/77/573314077.db2.gz FQHZAHBWNSGJFZ-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 82941757 573314095 /nfs/dbraw/zinc/31/40/95/573314095.db2.gz YJYSRXXPPYEICN-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1C[C@@](C)(C2CC2)NCC[C@@H]1C 82943177 573314292 /nfs/dbraw/zinc/31/42/92/573314292.db2.gz BYLGNXMSFZOBHG-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CCN1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C 82943177 573314297 /nfs/dbraw/zinc/31/42/97/573314297.db2.gz BYLGNXMSFZOBHG-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@]1(C)CN(C(C)C)CCC[NH2+]1 82942110 573314327 /nfs/dbraw/zinc/31/43/27/573314327.db2.gz LTTNOYPIDLRAAA-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 82941729 573314430 /nfs/dbraw/zinc/31/44/30/573314430.db2.gz KOUHPQHCWSLGCO-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 82941686 573314479 /nfs/dbraw/zinc/31/44/79/573314479.db2.gz VGMCUHHBPFHILL-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1C(C)(C)C[NH3+] 259417260 573328079 /nfs/dbraw/zinc/32/80/79/573328079.db2.gz JIWFWJUWNSEXME-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+]1C[NH2+][C@@H]2CCCC[C@@H]2C1 238343754 573328317 /nfs/dbraw/zinc/32/83/17/573328317.db2.gz AQUCSHYQIIVPNK-RKDXNWHRSA-N 2 1 154.257 1.038 10 0 ADAEMP C[N@H+]1C[NH2+][C@@H]2CCCC[C@@H]2C1 238343754 573328320 /nfs/dbraw/zinc/32/83/20/573328320.db2.gz AQUCSHYQIIVPNK-RKDXNWHRSA-N 2 1 154.257 1.038 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H](C)C1CC1 132650903 573328404 /nfs/dbraw/zinc/32/84/04/573328404.db2.gz NFGHKOFUVZPJJZ-CMPLNLGQSA-N 2 1 198.354 1.996 10 0 ADAEMP [NH3+]C[C@@H](C1CCCC1)[NH+]1CC=CC1 236177237 573337455 /nfs/dbraw/zinc/33/74/55/573337455.db2.gz FCPBZILDNQJEPL-NSHDSACASA-N 2 1 180.295 1.376 10 0 ADAEMP [NH3+]CC1=CC[N@H+](C2CCCC2)CC1 259091371 573339071 /nfs/dbraw/zinc/33/90/71/573339071.db2.gz DQGSWNOYMGGARV-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP CCCCCC[C@H](C[NH3+])[NH2+]CC 50270094 573339082 /nfs/dbraw/zinc/33/90/82/573339082.db2.gz OWYITYMONJANPO-SNVBAGLBSA-N 2 1 172.316 1.894 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])[C@H](C)c1ccccc1 50270018 573339120 /nfs/dbraw/zinc/33/91/20/573339120.db2.gz ASHWFKKQNZEWTN-KOLCDFICSA-N 2 1 178.279 1.337 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CC1)C1CCCCC1 50271242 573341467 /nfs/dbraw/zinc/34/14/67/573341467.db2.gz SAAMMSHGWWQZLS-NSHDSACASA-N 2 1 182.311 1.646 10 0 ADAEMP [NH3+]CC1([N@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 236172883 573341501 /nfs/dbraw/zinc/34/15/01/573341501.db2.gz IJGHXGQBZXLLAY-QWRGUYRKSA-N 2 1 194.322 1.742 10 0 ADAEMP Cc1c[nH]c(C(C)(C)CC[NH3+])[nH+]1 259091175 573341551 /nfs/dbraw/zinc/34/15/51/573341551.db2.gz MWPLAFUAGJBRGB-UHFFFAOYSA-N 2 1 167.256 1.345 10 0 ADAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]C1CC1 50271095 573341597 /nfs/dbraw/zinc/34/15/97/573341597.db2.gz IFXAHHVTOJUNNX-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[NH2+][C@](C)(C[NH3+])CCC(C)C 50270262 573341656 /nfs/dbraw/zinc/34/16/56/573341656.db2.gz YKYFRRNSLDXKNF-JTQLQIEISA-N 2 1 172.316 1.750 10 0 ADAEMP CC(C)[NH2+][C@H](C[NH3+])Cc1ccccc1 50270909 573341750 /nfs/dbraw/zinc/34/17/50/573341750.db2.gz YUBUUUOURIMRCD-LBPRGKRZSA-N 2 1 192.306 1.554 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]C1CC1 50271375 573341762 /nfs/dbraw/zinc/34/17/62/573341762.db2.gz FWDOSBRYAMJPPG-WPRPVWTQSA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@]2(C)CCC[NH2+]2)C1 258306111 573341822 /nfs/dbraw/zinc/34/18/22/573341822.db2.gz VCDSSRSLUNGXSM-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C 50270410 573341921 /nfs/dbraw/zinc/34/19/21/573341921.db2.gz NGUNMCDRBCGBCT-GHMZBOCLSA-N 2 1 184.327 1.894 10 0 ADAEMP C[C@@H]1C[C@H]([C@H]2CCC[N@H+]2C)C[NH2+]1 258290248 573341992 /nfs/dbraw/zinc/34/19/92/573341992.db2.gz TXEZCYQNAHXOJN-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP CCCCC[C@H](C[NH3+])[NH2+]CCC 50270432 573343360 /nfs/dbraw/zinc/34/33/60/573343360.db2.gz BZOOUDYFWFNSJB-SNVBAGLBSA-N 2 1 172.316 1.894 10 0 ADAEMP CCC[NH2+][C@@](C)(C[NH3+])CC(C)C 50270424 573343371 /nfs/dbraw/zinc/34/33/71/573343371.db2.gz UFASQDRERKDJQX-SNVBAGLBSA-N 2 1 172.316 1.750 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@@H](C)CC 50270643 573343443 /nfs/dbraw/zinc/34/34/43/573343443.db2.gz GJUBTSHQHKSOPD-IUCAKERBSA-N 2 1 158.289 1.359 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CCCC[C@@H]1C 223262158 573343482 /nfs/dbraw/zinc/34/34/82/573343482.db2.gz PNNATDBWYJGUSE-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@H](C)[C@@H](C[NH3+])[NH2+]C(C)C 50271036 573343492 /nfs/dbraw/zinc/34/34/92/573343492.db2.gz JWARCFWPOSWGAF-VHSXEESVSA-N 2 1 172.316 1.748 10 0 ADAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]C(C)C 50270760 573343508 /nfs/dbraw/zinc/34/35/08/573343508.db2.gz PIWIKJTTYAAXMU-SNVBAGLBSA-N 2 1 172.316 1.748 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@]2(C)CCC[NH2+]2)C1 258306113 573343560 /nfs/dbraw/zinc/34/35/60/573343560.db2.gz VCDSSRSLUNGXSM-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+]C1(C[NH3+])CCSCC1 50270704 573343719 /nfs/dbraw/zinc/34/37/19/573343719.db2.gz OYCKUCYURPVCFB-UHFFFAOYSA-N 2 1 188.340 1.211 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH2+]CCC 50270693 573343733 /nfs/dbraw/zinc/34/37/33/573343733.db2.gz KAGMGDFOAFITBU-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]C(C)C 50271038 573343743 /nfs/dbraw/zinc/34/37/43/573343743.db2.gz JWARCFWPOSWGAF-UWVGGRQHSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC(CC)[C@H](C[NH3+])[NH2+]C(C)C 50270904 573343768 /nfs/dbraw/zinc/34/37/68/573343768.db2.gz JXDONGBQZLLDPW-JTQLQIEISA-N 2 1 172.316 1.748 10 0 ADAEMP Cc1c[nH+]c(N)c2cc(C[NH3+])ccc12 258287409 573343809 /nfs/dbraw/zinc/34/38/09/573343809.db2.gz RTRYIBZUDHQOPU-UHFFFAOYSA-N 2 1 187.246 1.584 10 0 ADAEMP C[C@@H]1C[C@H]([C@@H]2CCC[N@H+]2C)C[NH2+]1 258290256 573343823 /nfs/dbraw/zinc/34/38/23/573343823.db2.gz TXEZCYQNAHXOJN-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP CCC[C@@H](C)[C@@H](C[NH3+])[NH2+]C1CC1 50271372 573344576 /nfs/dbraw/zinc/34/45/76/573344576.db2.gz FWDOSBRYAMJPPG-PSASIEDQSA-N 2 1 170.300 1.502 10 0 ADAEMP CSCC[C@@H](C[NH3+])[NH2+]C(C)C 50271007 573344590 /nfs/dbraw/zinc/34/45/90/573344590.db2.gz SRBHLGZCXCYIDB-QMMMGPOBSA-N 2 1 176.329 1.065 10 0 ADAEMP CC[NH2+][C@@](C)(C[NH3+])CCC(C)C 50270263 573344702 /nfs/dbraw/zinc/34/47/02/573344702.db2.gz YKYFRRNSLDXKNF-SNVBAGLBSA-N 2 1 172.316 1.750 10 0 ADAEMP CC(C)[N@H+]1CCC=C([C@H](C)[NH3+])C1 258288445 573344845 /nfs/dbraw/zinc/34/48/45/573344845.db2.gz ZYOHDTLLYYQYAX-VIFPVBQESA-N 2 1 168.284 1.374 10 0 ADAEMP CC[C@@]1([C@H]2CCC[N@H+]2C)CCC[NH2+]1 258288127 573344893 /nfs/dbraw/zinc/34/48/93/573344893.db2.gz SYPCAGJOHSOFPJ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+]C1(C[NH3+])CCC(CC)CC1 50270269 573345046 /nfs/dbraw/zinc/34/50/46/573345046.db2.gz SKBWPZQXDHLXAV-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)CCC1C[NH2+]C1 129601200 573345883 /nfs/dbraw/zinc/34/58/83/573345883.db2.gz KVDQLVDBUBTNIU-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C/C=C\C[NH3+] 258291962 573345921 /nfs/dbraw/zinc/34/59/21/573345921.db2.gz TYZFSGHBRYPCJP-WUWIAWFRSA-N 2 1 168.284 1.376 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C1CCCC1 86272569 573345953 /nfs/dbraw/zinc/34/59/53/573345953.db2.gz XTOYXUCNYRHXHL-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[NH2+]C1CC1 50271316 573346026 /nfs/dbraw/zinc/34/60/26/573346026.db2.gz YRFCSKJBUCULSS-IONNQARKSA-N 2 1 156.273 1.112 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258307827 573346120 /nfs/dbraw/zinc/34/61/20/573346120.db2.gz VEKXBIUANUWEHP-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H](C)[C@H](C[NH3+])[NH2+]C1CC1 50271374 573346145 /nfs/dbraw/zinc/34/61/45/573346145.db2.gz FWDOSBRYAMJPPG-SCZZXKLOSA-N 2 1 170.300 1.502 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])CCSC 50270672 573346174 /nfs/dbraw/zinc/34/61/74/573346174.db2.gz ZNTZZZLYZGQAGW-MRVPVSSYSA-N 2 1 176.329 1.066 10 0 ADAEMP CCC[C@H](C)[C@@H](C[NH3+])[NH2+]C1CC1 50271373 573346183 /nfs/dbraw/zinc/34/61/83/573346183.db2.gz FWDOSBRYAMJPPG-WCBMZHEXSA-N 2 1 170.300 1.502 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CC1)C1CCCC1 50272453 573346211 /nfs/dbraw/zinc/34/62/11/573346211.db2.gz FFBBYXOGRWUDTC-JTQLQIEISA-N 2 1 168.284 1.256 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[NH2+]C1CC1 50271228 573346242 /nfs/dbraw/zinc/34/62/42/573346242.db2.gz GZTZMNNFWFKNFW-SECBINFHSA-N 2 1 156.273 1.112 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])CC(C)C 50270557 573346277 /nfs/dbraw/zinc/34/62/77/573346277.db2.gz YCOVVHNSSXFBPS-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272501 573346293 /nfs/dbraw/zinc/34/62/93/573346293.db2.gz VZTXTRATDUVNKQ-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]CC[C@H]1Cc2ccccc2C[NH2+]1 258289754 573346352 /nfs/dbraw/zinc/34/63/52/573346352.db2.gz VRDYZRIOEDUYPK-LBPRGKRZSA-N 2 1 190.290 1.310 10 0 ADAEMP CC(C)CC[C@](C)(C[NH3+])[NH2+]C1CC1 50271272 573346388 /nfs/dbraw/zinc/34/63/88/573346388.db2.gz CGYVOXZAKQHGQV-LLVKDONJSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[NH2+]C1CC1 50271315 573346941 /nfs/dbraw/zinc/34/69/41/573346941.db2.gz YRFCSKJBUCULSS-VXNVDRBHSA-N 2 1 156.273 1.112 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[NH2+]CCC 50270431 573346953 /nfs/dbraw/zinc/34/69/53/573346953.db2.gz BZOOUDYFWFNSJB-JTQLQIEISA-N 2 1 172.316 1.894 10 0 ADAEMP C[NH2+]C[C@@H](C)Cn1c[nH+]cc1C(C)C 132906886 573346972 /nfs/dbraw/zinc/34/69/72/573346972.db2.gz IOGBQKSHYXMLMD-SNVBAGLBSA-N 2 1 195.310 1.862 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CC1)C1CCCC1 50272452 573347021 /nfs/dbraw/zinc/34/70/21/573347021.db2.gz FFBBYXOGRWUDTC-SNVBAGLBSA-N 2 1 168.284 1.256 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238365844 573350811 /nfs/dbraw/zinc/35/08/11/573350811.db2.gz NDLUCDBKLWZNJE-WCQGTBRESA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238365844 573350818 /nfs/dbraw/zinc/35/08/18/573350818.db2.gz NDLUCDBKLWZNJE-WCQGTBRESA-N 2 1 194.322 1.611 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCC[C@H](C)C1 50270394 573346883 /nfs/dbraw/zinc/34/68/83/573346883.db2.gz PZLSYYDOLFNWCG-QWRGUYRKSA-N 2 1 184.327 1.894 10 0 ADAEMP CC1([NH2+]C[C@]2([NH3+])CCOC2)CCCC1 82986867 573351788 /nfs/dbraw/zinc/35/17/88/573351788.db2.gz CDYPORKZZBUGQH-LLVKDONJSA-N 2 1 198.310 1.027 10 0 ADAEMP C[C@]1([NH3+])CC[N@H+]2CCCC[C@@H]2C1 258635284 573352018 /nfs/dbraw/zinc/35/20/18/573352018.db2.gz YFTAKYKZOOFODC-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](C1CC1)[NH+](C)C 308558704 573352025 /nfs/dbraw/zinc/35/20/25/573352025.db2.gz CUOWONBNRHUZLM-JLLWLGSASA-N 2 1 196.338 1.572 10 0 ADAEMP CC[N@@H+](C[C@@H](C)C1C[NH2+]C1)C(C)C 129474198 573352038 /nfs/dbraw/zinc/35/20/38/573352038.db2.gz JHWMKIQLLTVOFD-SNVBAGLBSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+](C(C)(C)C)[C@@H]1C 86302875 573352116 /nfs/dbraw/zinc/35/21/16/573352116.db2.gz GFQQCCUBTRKKRL-AEJSXWLSSA-N 2 1 184.327 1.843 10 0 ADAEMP CC[NH2+]CCn1c[nH+]cc1C(C)C 132895378 573352133 /nfs/dbraw/zinc/35/21/33/573352133.db2.gz NIUBCHBORYWSFV-UHFFFAOYSA-N 2 1 181.283 1.616 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 86303221 573353500 /nfs/dbraw/zinc/35/35/00/573353500.db2.gz JCNINDIQVQFLHF-DCAQKATOSA-N 2 1 184.327 1.700 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86303277 573353577 /nfs/dbraw/zinc/35/35/77/573353577.db2.gz DCZINPKNEUIQKD-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP CCc1c[nH+]cn1CCC[NH2+]C 132864488 573353638 /nfs/dbraw/zinc/35/36/38/573353638.db2.gz ZSMUAWSDXYPKAU-UHFFFAOYSA-N 2 1 167.256 1.055 10 0 ADAEMP C[C@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)C1C[NH2+]C1 129705982 573353723 /nfs/dbraw/zinc/35/37/23/573353723.db2.gz NGKZGXODJLIGQS-AXFHLTTASA-N 2 1 196.338 1.430 10 0 ADAEMP CCC(CC)(C[NH3+])n1c[nH+]cc1C 132848569 573353873 /nfs/dbraw/zinc/35/38/73/573353873.db2.gz AYOSTUXEVXHUCJ-UHFFFAOYSA-N 2 1 181.283 1.666 10 0 ADAEMP CCc1c[nH+]cn1C[C@H]([NH3+])CC 132876522 573353967 /nfs/dbraw/zinc/35/39/67/573353967.db2.gz HHAKSCVOGLYINS-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@H+]1C1CC1 86303191 573354146 /nfs/dbraw/zinc/35/41/46/573354146.db2.gz VMPFADNXQSRGED-NRPADANISA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](CC2CCC2)[C@@H]1C 86303514 573354163 /nfs/dbraw/zinc/35/41/63/573354163.db2.gz DYWZXMRBYIZJLY-UMNHJUIQSA-N 2 1 196.338 1.844 10 0 ADAEMP Cc1c[nH+]cn1[C@](C)(C[NH3+])CC(C)C 132859373 573356988 /nfs/dbraw/zinc/35/69/88/573356988.db2.gz OTNDIGSOMUKJEK-NSHDSACASA-N 2 1 195.310 1.912 10 0 ADAEMP CCC([NH3+])(CC)Cn1c[nH+]cc1C 132857215 573357161 /nfs/dbraw/zinc/35/71/61/573357161.db2.gz VFJFMRGISPPFSW-UHFFFAOYSA-N 2 1 181.283 1.709 10 0 ADAEMP CCC1C[NH+](C[C@@]2(CC)CCC[NH2+]2)C1 308561182 573357184 /nfs/dbraw/zinc/35/71/84/573357184.db2.gz XLTTYDYEGNBBGR-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+][C@@H](C)CC(F)F 308363732 573358753 /nfs/dbraw/zinc/35/87/53/573358753.db2.gz GGAKWJHECOYIDO-ZETCQYMHSA-N 2 1 194.269 1.618 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)[C@H](C)C[NH3+] 86313007 573358780 /nfs/dbraw/zinc/35/87/80/573358780.db2.gz GWNFZAQJGRSGJT-HTQZYQBOSA-N 2 1 167.256 1.347 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]CCC(C)(F)F 393627275 573358817 /nfs/dbraw/zinc/35/88/17/573358817.db2.gz YHQFTELTSBWXDM-ZETCQYMHSA-N 2 1 180.242 1.359 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)[C@@H](C)C[NH3+] 86313005 573358878 /nfs/dbraw/zinc/35/88/78/573358878.db2.gz GWNFZAQJGRSGJT-JGVFFNPUSA-N 2 1 167.256 1.347 10 0 ADAEMP [NH3+][C@H]1CC[NH2+][C@@H](c2ccco2)C1 107120868 573359184 /nfs/dbraw/zinc/35/91/84/573359184.db2.gz AJZDNGVVSJOTBI-JGVFFNPUSA-N 2 1 166.224 1.031 10 0 ADAEMP C[NH2+]C1CC[NH+]([C@H]2CC23CC3)CC1 715277973 573359243 /nfs/dbraw/zinc/35/92/43/573359243.db2.gz GVKYYAFQOLQFBI-JTQLQIEISA-N 2 1 180.295 1.223 10 0 ADAEMP C[N@H+]1CC[C@@](CC[NH3+])(C2CC2)C1 107121723 573359303 /nfs/dbraw/zinc/35/93/03/573359303.db2.gz DOLSVZCWWZXMRD-SNVBAGLBSA-N 2 1 168.284 1.067 10 0 ADAEMP C[C@@H]1CO[C@@](C)(C[C@@H]2CCCC[NH2+]2)[NH2+]1 258293859 573359416 /nfs/dbraw/zinc/35/94/16/573359416.db2.gz CGRPJVXJNZUPAG-VWYCJHECSA-N 2 1 198.310 1.243 10 0 ADAEMP [NH3+][C@@H]1CC[NH2+][C@@H](c2ccco2)C1 107120863 573359484 /nfs/dbraw/zinc/35/94/84/573359484.db2.gz AJZDNGVVSJOTBI-HTQZYQBOSA-N 2 1 166.224 1.031 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+][C@H](C)CC(F)F 308363731 573359584 /nfs/dbraw/zinc/35/95/84/573359584.db2.gz GGAKWJHECOYIDO-SSDOTTSWSA-N 2 1 194.269 1.618 10 0 ADAEMP CC[C@H]([NH3+])CC[NH2+]Cc1occc1C 308563302 573359615 /nfs/dbraw/zinc/35/96/15/573359615.db2.gz GNHXZTYFTCLCBH-JTQLQIEISA-N 2 1 196.294 1.805 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C/C=C\C[NH2+]C)C1 258297997 573359643 /nfs/dbraw/zinc/35/96/43/573359643.db2.gz UMJMKSVEWAIWAF-QMAVJUDZSA-N 2 1 196.338 1.884 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258314695 573364151 /nfs/dbraw/zinc/36/41/51/573364151.db2.gz DAOPXVNTHRFPNV-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258314695 573364156 /nfs/dbraw/zinc/36/41/56/573364156.db2.gz DAOPXVNTHRFPNV-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@H+]1CCC[C@@H]1C 223271095 573365570 /nfs/dbraw/zinc/36/55/70/573365570.db2.gz VOJZYMRFANQNGF-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C1C[NH2+]C[C@@]2(C1)CC[N@H+](CC1CC1)C2 211343811 573365743 /nfs/dbraw/zinc/36/57/43/573365743.db2.gz DLBQCDMNJZBHCK-GFCCVEGCSA-N 2 1 194.322 1.472 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258314697 573365792 /nfs/dbraw/zinc/36/57/92/573365792.db2.gz DAOPXVNTHRFPNV-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258314697 573365793 /nfs/dbraw/zinc/36/57/93/573365793.db2.gz DAOPXVNTHRFPNV-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1(C[N@H+]2CC[C@H](CC[NH3+])C2)CCC1 308564350 573365957 /nfs/dbraw/zinc/36/59/57/573365957.db2.gz HAVYXBANZWYKAE-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP Cc1ccc([C@@H]2C[C@H]([NH3+])CC[NH2+]2)o1 107127626 573365977 /nfs/dbraw/zinc/36/59/77/573365977.db2.gz NMFRDHZVHOZXLB-BDAKNGLRSA-N 2 1 180.251 1.340 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@H]2C[NH2+]C(C)(C)C2)C1 258323961 573373094 /nfs/dbraw/zinc/37/30/94/573373094.db2.gz WKUBYWFMIVXNSP-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C 83041263 573373110 /nfs/dbraw/zinc/37/31/10/573373110.db2.gz BKKOCHQCVOPNFE-KKOKHZNYSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[N@@H+]1CC=C(C[NH2+]C2CC2)CC1 258015031 573373279 /nfs/dbraw/zinc/37/32/79/573373279.db2.gz JHJGVIPYZICNOP-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC(C)[NH2+]CC[NH+]1C[C@H]2CCC[C@@H]2C1 126143853 573374188 /nfs/dbraw/zinc/37/41/88/573374188.db2.gz GIOMQLNAMVLYAW-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133080912 573374353 /nfs/dbraw/zinc/37/43/53/573374353.db2.gz BEAVIJPJILEVAA-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C1C[NH2+]C[C@H](CC[N@@H+]2C[C@H]3C[C@H]3C2)C1 107137890 573374475 /nfs/dbraw/zinc/37/44/75/573374475.db2.gz PMEJTTIIJFRPSX-SDDRHHMPSA-N 2 1 194.322 1.328 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1C[NH2+]CC1(C)C 642831394 573374537 /nfs/dbraw/zinc/37/45/37/573374537.db2.gz ICYRVCWDZIIHPD-SNVBAGLBSA-N 2 1 184.327 1.572 10 0 ADAEMP C1CC[C@@H](CC[N@@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107137870 573374874 /nfs/dbraw/zinc/37/48/74/573374874.db2.gz GTWPURZNEFLFDE-TUAOUCFPSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)[C@@H]1C 83044966 573374962 /nfs/dbraw/zinc/37/49/62/573374962.db2.gz LGKCSUUWBUYRDU-KKOKHZNYSA-N 2 1 196.338 1.702 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C[C@@H](C)C1CC1 133185226 573382922 /nfs/dbraw/zinc/38/29/22/573382922.db2.gz JUBUMNWBEWIKNQ-RKDXNWHRSA-N 2 1 170.300 1.230 10 0 ADAEMP CCC[C@H]1[C@@H](C[NH3+])CC[N@H+]1C 107158764 573385515 /nfs/dbraw/zinc/38/55/15/573385515.db2.gz FPHGITMNRFPYPS-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)CN(C2CCC2)CCC[NH2+]1 83093041 573393781 /nfs/dbraw/zinc/39/37/81/573393781.db2.gz ROHXFFIYAKPRLA-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[C@H]1[N@H+]1CCCN[C@H](C)C1 83093285 573393862 /nfs/dbraw/zinc/39/38/62/573393862.db2.gz ZBQIAJDFHUROPV-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[N@@H+](C)CCCN1C(=[NH2+])C1CC1 235582779 573394088 /nfs/dbraw/zinc/39/40/88/573394088.db2.gz PENYMDWDLUVNFH-VIFPVBQESA-N 2 1 195.310 1.400 10 0 ADAEMP C[C@H]1CCC[C@@H]1[N@H+]1CCCN[C@H](C)C1 83093281 573394170 /nfs/dbraw/zinc/39/41/70/573394170.db2.gz ZBQIAJDFHUROPV-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[N@@H+]([C@@H](C)CC2CC2)CCCN1 83093605 573395215 /nfs/dbraw/zinc/39/52/15/573395215.db2.gz FPWKUKOQTSOOIR-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@]1(C)C1CC1 107162294 573395287 /nfs/dbraw/zinc/39/52/87/573395287.db2.gz IKEDQDFUXWCCOR-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H](C)[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091503 573395309 /nfs/dbraw/zinc/39/53/09/573395309.db2.gz PCZHJIMGYFVMSF-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+][C@@H](C[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 259094141 573395356 /nfs/dbraw/zinc/39/53/56/573395356.db2.gz AMWMLGZFRJUFKJ-UWVGGRQHSA-N 2 1 193.294 1.547 10 0 ADAEMP CC1(C)C[N@H+](C2CC2)CCCC[NH2+]1 259438260 573395430 /nfs/dbraw/zinc/39/54/30/573395430.db2.gz OKTWDDAXJOWDEC-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CCCN[C@H](C)C1 83093809 573395447 /nfs/dbraw/zinc/39/54/47/573395447.db2.gz IXENDCSLELRLDU-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C1C[NH2+][C@H](C2CC2)C[N@H+](C2CC2)C1 83091535 573395493 /nfs/dbraw/zinc/39/54/93/573395493.db2.gz RWPOQCSQEZECQF-NSHDSACASA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CCCN[C@H](C)C1 83093602 573395818 /nfs/dbraw/zinc/39/58/18/573395818.db2.gz FPWKUKOQTSOOIR-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)C1 129810768 573395903 /nfs/dbraw/zinc/39/59/03/573395903.db2.gz PAYUZQVDRCVAKM-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)C[C@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091510 573395932 /nfs/dbraw/zinc/39/59/32/573395932.db2.gz CKVXKGUVPXSBBB-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP C1CC(N2CCC[NH2+][C@@H](C3CC3)C2)C1 83093063 573396219 /nfs/dbraw/zinc/39/62/19/573396219.db2.gz LMPFUUBGINGUGR-GFCCVEGCSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[NH2+]CC[NH+]1C[C@H]2CCC[C@@H]2C1 126178387 573401154 /nfs/dbraw/zinc/40/11/54/573401154.db2.gz OSIUTKGRBFFOHP-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP CCCCn1c[nH+]cc1CC(C)(C)[NH3+] 308571695 573401320 /nfs/dbraw/zinc/40/13/20/573401320.db2.gz CDMHCGHOICIEMO-UHFFFAOYSA-N 2 1 195.310 1.963 10 0 ADAEMP CC(C)[N@@H+]1CCC(C)(C)[C@@H]([NH3+])C1 259096937 573402778 /nfs/dbraw/zinc/40/27/78/573402778.db2.gz AARMWVUUMLORQF-VIFPVBQESA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[N@H+]1CCC(C)(C)[C@@H]([NH3+])C1 259096937 573402781 /nfs/dbraw/zinc/40/27/81/573402781.db2.gz AARMWVUUMLORQF-VIFPVBQESA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126176609 573402945 /nfs/dbraw/zinc/40/29/45/573402945.db2.gz BDOWCVRKOXKDSG-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258342464 573403552 /nfs/dbraw/zinc/40/35/52/573403552.db2.gz FDFCPDDDUFDROA-OUAUKWLOSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258342464 573403555 /nfs/dbraw/zinc/40/35/55/573403555.db2.gz FDFCPDDDUFDROA-OUAUKWLOSA-N 2 1 198.310 1.051 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2ccco2)C1 86396765 573404075 /nfs/dbraw/zinc/40/40/75/573404075.db2.gz MBMAJRDEPQPRLG-RKDXNWHRSA-N 2 1 180.251 1.249 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258342434 573404266 /nfs/dbraw/zinc/40/42/66/573404266.db2.gz FDFCPDDDUFDROA-GMTAPVOTSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258342434 573404272 /nfs/dbraw/zinc/40/42/72/573404272.db2.gz FDFCPDDDUFDROA-GMTAPVOTSA-N 2 1 198.310 1.051 10 0 ADAEMP CC[NH2+]CC[N@H+]1C[C@H]2CCC[C@H]2C1 126178204 573404521 /nfs/dbraw/zinc/40/45/21/573404521.db2.gz OSIUTKGRBFFOHP-PHIMTYICSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[NH2+]CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126178204 573404523 /nfs/dbraw/zinc/40/45/23/573404523.db2.gz OSIUTKGRBFFOHP-PHIMTYICSA-N 2 1 182.311 1.328 10 0 ADAEMP CCCc1c[nH+]cn1C[C@@H]1CCC[NH2+]1 133498343 573404877 /nfs/dbraw/zinc/40/48/77/573404877.db2.gz WJICURJCRNVCMO-JTQLQIEISA-N 2 1 193.294 1.588 10 0 ADAEMP CCCc1c[nH+]cn1CC[NH2+]C 133500657 573405030 /nfs/dbraw/zinc/40/50/30/573405030.db2.gz FBCXXCMXEXWKFI-UHFFFAOYSA-N 2 1 167.256 1.055 10 0 ADAEMP CC(C)[N@@H+]1CCC(C)(C)[C@H]([NH3+])C1 259096934 573405160 /nfs/dbraw/zinc/40/51/60/573405160.db2.gz AARMWVUUMLORQF-SECBINFHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[N@H+]1CCC(C)(C)[C@H]([NH3+])C1 259096934 573405164 /nfs/dbraw/zinc/40/51/64/573405164.db2.gz AARMWVUUMLORQF-SECBINFHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)(C)[NH2+][C@@H](C[NH3+])C1CCCC1 257810444 573405593 /nfs/dbraw/zinc/40/55/93/573405593.db2.gz AKBQEIHARHWSJE-JTQLQIEISA-N 2 1 184.327 1.892 10 0 ADAEMP Cc1ccc(C[NH2+][C@@H]2CC[C@H]([NH3+])C2)o1 86400310 573405690 /nfs/dbraw/zinc/40/56/90/573405690.db2.gz SMMKTVZJMNMESC-VHSXEESVSA-N 2 1 194.278 1.557 10 0 ADAEMP C[NH2+]CCn1c[nH+]cc1CC(C)C 133501269 573405729 /nfs/dbraw/zinc/40/57/29/573405729.db2.gz OZAJSTJWYXHENA-UHFFFAOYSA-N 2 1 181.283 1.301 10 0 ADAEMP CCCc1c[nH+]cn1C[C@@H]1CC[NH2+]C1 133560590 573405804 /nfs/dbraw/zinc/40/58/04/573405804.db2.gz YBRMMSGWSSLAHB-SNVBAGLBSA-N 2 1 193.294 1.445 10 0 ADAEMP CCC[NH2+]CCn1c[nH+]cc1CCC 133504317 573406127 /nfs/dbraw/zinc/40/61/27/573406127.db2.gz OZMFLFSEHBGZHU-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccco2)C1 86396762 573406153 /nfs/dbraw/zinc/40/61/53/573406153.db2.gz MBMAJRDEPQPRLG-DTWKUNHWSA-N 2 1 180.251 1.249 10 0 ADAEMP Cc1ccc(C[NH2+][C@H]2CC[C@@H]([NH3+])C2)o1 86400316 573408001 /nfs/dbraw/zinc/40/80/01/573408001.db2.gz SMMKTVZJMNMESC-ZJUUUORDSA-N 2 1 194.278 1.557 10 0 ADAEMP CCCc1c[nH+]cn1C(C)(C)C[NH3+] 133509171 573408033 /nfs/dbraw/zinc/40/80/33/573408033.db2.gz DTKYMONFHZNJQT-UHFFFAOYSA-N 2 1 181.283 1.529 10 0 ADAEMP CCCc1c[nH+]cn1CCC[NH3+] 133493054 573408057 /nfs/dbraw/zinc/40/80/57/573408057.db2.gz DCMRBLQJRJWRMH-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP CC(C)Cc1c[nH+]cn1[C@@H](C)C[NH3+] 133527270 573412096 /nfs/dbraw/zinc/41/20/96/573412096.db2.gz PRBZWWHSTULECN-VIFPVBQESA-N 2 1 181.283 1.601 10 0 ADAEMP Cc1c[nH+]ccc1O[C@@H]1CC[C@H]([NH3+])C1 86407887 573412186 /nfs/dbraw/zinc/41/21/86/573412186.db2.gz JXDUKDLESVUKCA-VHSXEESVSA-N 2 1 192.262 1.649 10 0 ADAEMP CCCC[N@@H+](C)C(C)(C)CC[NH3+] 259098395 573412197 /nfs/dbraw/zinc/41/21/97/573412197.db2.gz ZOLXSQOPFAYPKX-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]cc1C1CC1 133530545 573412361 /nfs/dbraw/zinc/41/23/61/573412361.db2.gz UGZJTQMLTWNFPA-VIFPVBQESA-N 2 1 179.267 1.498 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86410072 573414727 /nfs/dbraw/zinc/41/47/27/573414727.db2.gz YROYPKPCYPHSMV-WCBMZHEXSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@H](C)c1c[nH+]cn1CC[NH2+]C 133605913 573414776 /nfs/dbraw/zinc/41/47/76/573414776.db2.gz DYTNLWNPVACQEP-VIFPVBQESA-N 2 1 181.283 1.616 10 0 ADAEMP Nc1cc[nH+]cc1[C@H]([NH3+])C1CCC1 83121281 573414828 /nfs/dbraw/zinc/41/48/28/573414828.db2.gz AGUFUFGKXYAZRR-SNVBAGLBSA-N 2 1 177.251 1.464 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@@](C)(F)C[NH3+])C1 257811197 573414849 /nfs/dbraw/zinc/41/48/49/573414849.db2.gz AZGNRRIGOVOJOI-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CCC[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258647319 573414892 /nfs/dbraw/zinc/41/48/92/573414892.db2.gz FOXGXPUPCMXMFQ-QMMMGPOBSA-N 2 1 156.273 1.127 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CC[C@H]([NH3+])C1 86410102 573415007 /nfs/dbraw/zinc/41/50/07/573415007.db2.gz JFKIBUCMBCCGOR-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H](C[NH3+])n1c[nH+]cc1CC(C)(C)C 133528068 573416333 /nfs/dbraw/zinc/41/63/33/573416333.db2.gz QNZDPGBUUPOYND-VIFPVBQESA-N 2 1 195.310 1.991 10 0 ADAEMP CC[C@@H](C)c1c[nH+]cn1CC[NH2+]C 133605745 573416397 /nfs/dbraw/zinc/41/63/97/573416397.db2.gz DYTNLWNPVACQEP-SECBINFHSA-N 2 1 181.283 1.616 10 0 ADAEMP CC[N@H+]1CC[C@H](/C=C\CC[NH2+]C)C1 258335472 573418707 /nfs/dbraw/zinc/41/87/07/573418707.db2.gz XKCFEYFGJNOZIP-QZPNVGJNSA-N 2 1 182.311 1.494 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CCC[C@H]([NH3+])C1 86410083 573418803 /nfs/dbraw/zinc/41/88/03/573418803.db2.gz VRQZZGOKVAYYAY-WDEREUQCSA-N 2 1 184.327 1.987 10 0 ADAEMP [NH3+]C/C=C\C[N@H+]1CCCC12CCCC2 308579272 573418832 /nfs/dbraw/zinc/41/88/32/573418832.db2.gz OGSALAHEUQWPNT-ARJAWSKDSA-N 2 1 194.322 1.910 10 0 ADAEMP CC[N@H+]1CC[C@H](C/C=C\C[NH2+]C)C1 258336715 573420311 /nfs/dbraw/zinc/42/03/11/573420311.db2.gz XLMUZXRFAFNROX-WYGGZMRJSA-N 2 1 182.311 1.494 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH3+])C1(C)C 107220461 573423254 /nfs/dbraw/zinc/42/32/54/573423254.db2.gz BUACGPRMQZWZSU-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](CC[C@@H]([NH3+])C1CC1)C1CC1 130013614 573423407 /nfs/dbraw/zinc/42/34/07/573423407.db2.gz IABDVHGKSQTOBK-LLVKDONJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@H](C[NH3+])C(C)(C)[N@H+]1C 107220469 573423421 /nfs/dbraw/zinc/42/34/21/573423421.db2.gz KUYRDHRFZRHYGC-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H](C)c1c[nH+]cn1[C@@H](C)C[NH3+] 133623519 573423494 /nfs/dbraw/zinc/42/34/94/573423494.db2.gz RQYCKAIMVOYZJT-IUCAKERBSA-N 2 1 181.283 1.916 10 0 ADAEMP C[N@@H+]1CC[C@@H](NC2=[NH+]CCCCC2)C1 86454925 573429712 /nfs/dbraw/zinc/42/97/12/573429712.db2.gz HVSQAEOFLNJQMV-SNVBAGLBSA-N 2 1 195.310 1.253 10 0 ADAEMP C[N@H+]1CC[C@@H](NC2=[NH+]CCCCC2)C1 86454925 573429718 /nfs/dbraw/zinc/42/97/18/573429718.db2.gz HVSQAEOFLNJQMV-SNVBAGLBSA-N 2 1 195.310 1.253 10 0 ADAEMP CC[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C1CC1 107223948 573429738 /nfs/dbraw/zinc/42/97/38/573429738.db2.gz AWTHGTDHLAPXHY-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@H](CC[NH2+]Cc1ccco1)C1CC1 130036756 573429741 /nfs/dbraw/zinc/42/97/41/573429741.db2.gz WOZAMQBSZSCMTP-LLVKDONJSA-N 2 1 194.278 1.497 10 0 ADAEMP C[N@@H+]1CCCC[C@H]1CNC1=[NH+]CCC1 86455197 573436222 /nfs/dbraw/zinc/43/62/22/573436222.db2.gz FDABEVYQJYLEEB-JTQLQIEISA-N 2 1 195.310 1.253 10 0 ADAEMP C[N@H+]1CCCC[C@H]1CNC1=[NH+]CCC1 86455197 573436229 /nfs/dbraw/zinc/43/62/29/573436229.db2.gz FDABEVYQJYLEEB-JTQLQIEISA-N 2 1 195.310 1.253 10 0 ADAEMP C[C@H]1CC2(CC[NH2+]CC2)C[N@H+]1C1CC1 107235775 573436239 /nfs/dbraw/zinc/43/62/39/573436239.db2.gz ZEPTUFHKXSMVMW-JTQLQIEISA-N 2 1 194.322 1.613 10 0 ADAEMP NC(=[NH2+])C1([NH3+])CCCCCCC1 86456400 573436307 /nfs/dbraw/zinc/43/63/07/573436307.db2.gz QVMITVSFVNFZNN-UHFFFAOYSA-N 2 1 169.272 1.364 10 0 ADAEMP CCc1[nH+]c(C[C@H]2CC[NH2+]C2)[nH]c1C 257813264 573436440 /nfs/dbraw/zinc/43/64/40/573436440.db2.gz CARHUSWVEVBSLF-SECBINFHSA-N 2 1 193.294 1.433 10 0 ADAEMP CCc1[nH]c(C[C@H]2CC[NH2+]C2)[nH+]c1C 257813264 573436442 /nfs/dbraw/zinc/43/64/42/573436442.db2.gz CARHUSWVEVBSLF-SECBINFHSA-N 2 1 193.294 1.433 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@H+]1C 107229893 573436447 /nfs/dbraw/zinc/43/64/47/573436447.db2.gz RPZYTJWJAZOYHJ-GARJFASQSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[C@@H]1[N@@H+](C)CC[C@]12CCC[NH2+]C2 107229671 573436511 /nfs/dbraw/zinc/43/65/11/573436511.db2.gz XKJGUXZXXRHIDW-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C(C)(C)[N@H+]1C 107229882 573436541 /nfs/dbraw/zinc/43/65/41/573436541.db2.gz PORLTBLKLQRVOB-UTLUCORTSA-N 2 1 182.311 1.467 10 0 ADAEMP C1C[NH+]=C(N[C@H]2CC[N@@H+](C3CC3)C2)C1 86455214 573436861 /nfs/dbraw/zinc/43/68/61/573436861.db2.gz NGYMELORKZHXTB-VIFPVBQESA-N 2 1 193.294 1.005 10 0 ADAEMP C1C[NH+]=C(N[C@H]2CC[N@H+](C3CC3)C2)C1 86455214 573436863 /nfs/dbraw/zinc/43/68/63/573436863.db2.gz NGYMELORKZHXTB-VIFPVBQESA-N 2 1 193.294 1.005 10 0 ADAEMP C1C[C@@H]2CC[N@H+](C3CC3)CC[C@H]2C[NH2+]1 107235810 573436881 /nfs/dbraw/zinc/43/68/81/573436881.db2.gz CEXKDWHKFKFISW-MNOVXSKESA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@](F)(C[NH3+])C1 118866248 573436899 /nfs/dbraw/zinc/43/68/99/573436899.db2.gz IBGGWXOGALBXIZ-SECBINFHSA-N 2 1 174.263 1.158 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 107229922 573436935 /nfs/dbraw/zinc/43/69/35/573436935.db2.gz JZFAZNBGROITDH-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CC[C@H]([C@](C)(F)CC[NH3+])C1 257813097 573437047 /nfs/dbraw/zinc/43/70/47/573437047.db2.gz BWMJLVWHWOFKBK-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CCC1CCC([NH3+])(C(N)=[NH2+])CC1 86456401 573437064 /nfs/dbraw/zinc/43/70/64/573437064.db2.gz WGNFBYCWTVIVEO-UHFFFAOYSA-N 2 1 169.272 1.220 10 0 ADAEMP C1CC[NH+](CCNC2=[NH+]CCC2)CC1 86455147 573437121 /nfs/dbraw/zinc/43/71/21/573437121.db2.gz GFUAJIXMAHIERR-UHFFFAOYSA-N 2 1 195.310 1.254 10 0 ADAEMP C[C@@H]1C[C@@]2(CCC[NH2+]C2)C(C)(C)[N@H+]1C 107237406 573437125 /nfs/dbraw/zinc/43/71/25/573437125.db2.gz YWRGGXPSJJBILU-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@H+]1C1CC1 107235865 573437246 /nfs/dbraw/zinc/43/72/46/573437246.db2.gz LIEFQBAVPAZIDX-WCQGTBRESA-N 2 1 194.322 1.611 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](C)C1 308582087 573440395 /nfs/dbraw/zinc/44/03/95/573440395.db2.gz PUAZMAJTPMDOQH-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H]1[N@@H+](C)CCC12CC[NH2+]CC2 107229722 573440610 /nfs/dbraw/zinc/44/06/10/573440610.db2.gz ZPQRTLHBPHRPSU-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[C@H]1[N@@H+](C)CC[C@]12CCC[NH2+]C2 107237421 573440758 /nfs/dbraw/zinc/44/07/58/573440758.db2.gz LZSAXDQEDUYMTR-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH+]1CCC(F)(C(F)(F)C[NH3+])CC1 257813637 573440760 /nfs/dbraw/zinc/44/07/60/573440760.db2.gz CGTYJXLWZBLMCC-UHFFFAOYSA-N 2 1 196.216 1.014 10 0 ADAEMP C[C@@H]1CC2(CC[NH2+]CC2)C(C)(C)[N@H+]1C 107237465 573443165 /nfs/dbraw/zinc/44/31/65/573443165.db2.gz RIPSWSCTPYZLBA-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CCC[NH2+]C2)[C@H]1C 107237460 573443367 /nfs/dbraw/zinc/44/33/67/573443367.db2.gz PASSXYLUKVXLBH-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CCC[NH2+]C2)[C@H]1C 107237454 573443446 /nfs/dbraw/zinc/44/34/46/573443446.db2.gz PASSXYLUKVXLBH-NEPJUHHUSA-N 2 1 196.338 1.859 10 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CC(C)C[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@H+]1C 107237510 573445975 /nfs/dbraw/zinc/44/59/75/573445975.db2.gz UXBVIZLANRDUMS-IJLUTSLNSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@]1(C[NH3+])[NH2+]CCC1CC1 308586400 573446029 /nfs/dbraw/zinc/44/60/29/573446029.db2.gz SDUGHTNMYAAEJL-SCVCMEIPSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[C@]1([C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258355497 573446037 /nfs/dbraw/zinc/44/60/37/573446037.db2.gz YVMDZXZAABYGND-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1[C@H]1C[NH2+][C@H](C)C1 258350325 573451932 /nfs/dbraw/zinc/45/19/32/573451932.db2.gz YLVJWUDIKUXSLJ-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+]1CCC[C@H]1C[C@H]1[NH2+]C(C)(C)CO1 258346541 573451994 /nfs/dbraw/zinc/45/19/94/573451994.db2.gz FLQMWOJBCVJHMA-UWVGGRQHSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@H]1[NH2+]C(C)(C)CO1 258346541 573451997 /nfs/dbraw/zinc/45/19/97/573451997.db2.gz FLQMWOJBCVJHMA-UWVGGRQHSA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H]2CC[NH2+][C@@H](C)C2)C1 258658336 573452009 /nfs/dbraw/zinc/45/20/09/573452009.db2.gz XCTJXKRYZHYJEZ-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCCC[N@@H+]1C[C@H](F)C[NH3+] 107257790 573452058 /nfs/dbraw/zinc/45/20/58/573452058.db2.gz ARNUCGDWZGHCNS-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP Cc1[nH+]c(CCC2([NH3+])CC2)cn1C 257817355 573452062 /nfs/dbraw/zinc/45/20/62/573452062.db2.gz DQAMXURBJNTKPR-UHFFFAOYSA-N 2 1 179.267 1.152 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@H](F)C[NH3+] 107257790 573452063 /nfs/dbraw/zinc/45/20/63/573452063.db2.gz ARNUCGDWZGHCNS-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP Cc1[nH+]ccn1CC[C@@H]1CCC[N@H+]1C 687715386 571687188 /nfs/dbraw/zinc/68/71/88/571687188.db2.gz CYNCUJPVQZRLOV-NSHDSACASA-N 2 1 193.294 1.676 10 0 ADAEMP Cc1[nH+]ccn1CC[C@@H]1CCC[N@@H+]1C 687715386 571687190 /nfs/dbraw/zinc/68/71/90/571687190.db2.gz CYNCUJPVQZRLOV-NSHDSACASA-N 2 1 193.294 1.676 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 37110365 571688790 /nfs/dbraw/zinc/68/87/90/571688790.db2.gz VZQITQBTHSADIG-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[NH2+][C@H](C)CCc1[nH+]ccn1C 70639942 571716054 /nfs/dbraw/zinc/71/60/54/571716054.db2.gz OKTAEVUGIZNRRQ-SNVBAGLBSA-N 2 1 195.310 1.741 10 0 ADAEMP C[NH2+][C@@H](CCc1[nH+]ccn1C)C(C)C 70642304 571716064 /nfs/dbraw/zinc/71/60/64/571716064.db2.gz JIKQOSQYSLWEKU-JTQLQIEISA-N 2 1 195.310 1.597 10 0 ADAEMP C[NH2+][C@@H](C)CCc1ccc[nH+]c1N 70639733 571716068 /nfs/dbraw/zinc/71/60/68/571716068.db2.gz NOODFYUVEXPLRB-QMMMGPOBSA-N 2 1 179.267 1.204 10 0 ADAEMP C[N@H+]1CCC[C@@]([NH3+])(CC2CCC2)CC1 213977634 571693073 /nfs/dbraw/zinc/69/30/73/571693073.db2.gz CVOYVRVWEQDCQI-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1CCC(C)C 712102009 571697285 /nfs/dbraw/zinc/69/72/85/571697285.db2.gz KCJBYQMPNJSBGQ-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](CC1(C[NH3+])CC1)C(C)(C)C 213980877 571697295 /nfs/dbraw/zinc/69/72/95/571697295.db2.gz TZEBROZCLBXWDV-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@@H]1CCC[N@H+]1C 214035443 571707174 /nfs/dbraw/zinc/70/71/74/571707174.db2.gz BQMZDEKWHHTHAH-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@@H]1CCCC[N@@H+]1C 214034876 571707210 /nfs/dbraw/zinc/70/72/10/571707210.db2.gz URUAUMQYLDXTSH-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@@H]1CCCC[N@H+]1C 214034876 571707211 /nfs/dbraw/zinc/70/72/11/571707211.db2.gz URUAUMQYLDXTSH-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[C@H]([NH3+])CCc1[nH+]ccn1C 70637461 571714002 /nfs/dbraw/zinc/71/40/02/571714002.db2.gz AZJXTIRPUYREDZ-VIFPVBQESA-N 2 1 181.283 1.480 10 0 ADAEMP C[NH2+]CCCCc1ccc[nH+]c1N 70639161 571714004 /nfs/dbraw/zinc/71/40/04/571714004.db2.gz TUNXBPOBDVZDNX-UHFFFAOYSA-N 2 1 179.267 1.206 10 0 ADAEMP CC[C@H](CCc1[nH+]ccn1CC)[NH2+]C 70642099 571715999 /nfs/dbraw/zinc/71/59/99/571715999.db2.gz KJUJAVPFFLWIOG-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@H](C)[NH2+]C 70639698 571716004 /nfs/dbraw/zinc/71/60/04/571716004.db2.gz NAXGNNCLVSVCOK-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP C[C@@H]1[C@@H]2CCCC[C@@H]2[C@H](CN)[N@H+]1C 107266331 573455103 /nfs/dbraw/zinc/45/51/03/573455103.db2.gz MRCXAOKRUOGJAT-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CC[N@@H+](C)C2)O1 258352837 573455104 /nfs/dbraw/zinc/45/51/04/573455104.db2.gz FVFZPUCSWBRICI-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1[C@@H]2CCCC[C@@H]2[C@H](C[NH3+])[N@@H+]1C 107266331 573455106 /nfs/dbraw/zinc/45/51/06/573455106.db2.gz MRCXAOKRUOGJAT-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1[C@@H]2CCCC[C@@H]2[C@H](C[NH3+])[N@H+]1C 107266331 573455111 /nfs/dbraw/zinc/45/51/11/573455111.db2.gz MRCXAOKRUOGJAT-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2CC[NH2+][C@@H](C)C2)C1 258658350 573455116 /nfs/dbraw/zinc/45/51/16/573455116.db2.gz XCTJXKRYZHYJEZ-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CCn1cc[nH+]c1CCC[NH2+]C1CC1 70639379 571716462 /nfs/dbraw/zinc/71/64/62/571716462.db2.gz FHPLZKMSIUMJFI-UHFFFAOYSA-N 2 1 193.294 1.588 10 0 ADAEMP CC[NH2+][C@H](C)CCc1[nH+]ccn1CC 70639825 571716479 /nfs/dbraw/zinc/71/64/79/571716479.db2.gz AMCQVTYVOIONOV-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CC[C@@H](CCc1[nH+]ccn1C)[NH2+]C 70642086 571716483 /nfs/dbraw/zinc/71/64/83/571716483.db2.gz DCBSPCPOWYUMBN-VIFPVBQESA-N 2 1 181.283 1.351 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 37157284 571716505 /nfs/dbraw/zinc/71/65/05/571716505.db2.gz TYHGKMOIPVIPAQ-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH2+][C@@H](C)CCc1ccc[nH+]c1N 70639885 571716513 /nfs/dbraw/zinc/71/65/13/571716513.db2.gz AEVOYKHBSWTIIG-VIFPVBQESA-N 2 1 193.294 1.594 10 0 ADAEMP CC[NH2+][C@H](C)CCc1[nH+]ccn1C 70639804 571716544 /nfs/dbraw/zinc/71/65/44/571716544.db2.gz DXHKLLGPHGHLHA-SECBINFHSA-N 2 1 181.283 1.351 10 0 ADAEMP CCn1cc[nH+]c1CC[C@@H](C)[NH2+]C 70639657 571716547 /nfs/dbraw/zinc/71/65/47/571716547.db2.gz HZSULCOXBUZTHU-SECBINFHSA-N 2 1 181.283 1.444 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@@H](CC)C1 70644474 571717030 /nfs/dbraw/zinc/71/70/30/571717030.db2.gz FBJJKDRPBQOQAD-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP NC[C@@]12CCC[N@H+]1Cc1ccccc12 107266534 573455288 /nfs/dbraw/zinc/45/52/88/573455288.db2.gz ZJKHOOUGVAUQCN-GFCCVEGCSA-N 2 1 188.274 1.450 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@H+]1CCC[C@H]1C 393419409 571745776 /nfs/dbraw/zinc/74/57/76/571745776.db2.gz UUILQTDTSDGWHK-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](CC1CC1)C1CC1 70736863 571745778 /nfs/dbraw/zinc/74/57/78/571745778.db2.gz WTRKYCRGIZWWFS-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@H](C)[C@H](C[NH3+])[NH2+]C1CCC1 712336762 571745824 /nfs/dbraw/zinc/74/58/24/571745824.db2.gz WEYKFLOGGPPKDX-ONGXEEELSA-N 2 1 184.327 1.748 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CCC[N@@H+]2C)O1 258364243 573456900 /nfs/dbraw/zinc/45/69/00/573456900.db2.gz GLHWTLCSWOWGLO-VWYCJHECSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CCC[N@H+]2C)O1 258364243 573456909 /nfs/dbraw/zinc/45/69/09/573456909.db2.gz GLHWTLCSWOWGLO-VWYCJHECSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CC[C@H](c2nc(C[NH3+])cs2)C1 107265379 573456955 /nfs/dbraw/zinc/45/69/55/573456955.db2.gz DKHQXYSYICCVEI-ZETCQYMHSA-N 2 1 197.307 1.021 10 0 ADAEMP CC[C@@H](C[NH2+]C)[N@H+]1CCC[C@H]1C 251048637 571803779 /nfs/dbraw/zinc/80/37/79/571803779.db2.gz FOYVHXRFYRXKRB-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CC[C@@H](C2CC2)C1 400336507 571889244 /nfs/dbraw/zinc/88/92/44/571889244.db2.gz LSHBZVFIPTYJPC-CMPLNLGQSA-N 2 1 196.338 1.574 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1c1nc(C[NH3+])cs1 107265388 573457109 /nfs/dbraw/zinc/45/71/09/573457109.db2.gz BGNQXLSOFSUGMN-MRVPVSSYSA-N 2 1 197.307 1.369 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CC1CCSCC1 235450100 571912557 /nfs/dbraw/zinc/91/25/57/571912557.db2.gz VOECNHLDYIWECU-MRVPVSSYSA-N 2 1 188.340 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H]1c1nc(C[NH3+])cs1 107265388 573457118 /nfs/dbraw/zinc/45/71/18/573457118.db2.gz BGNQXLSOFSUGMN-MRVPVSSYSA-N 2 1 197.307 1.369 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CCCC(C)(C)C 300774209 571919925 /nfs/dbraw/zinc/91/99/25/571919925.db2.gz RPNUCSYRILXXGI-SECBINFHSA-N 2 1 172.316 1.750 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](/C=C/C[NH3+])C1 687680134 571923300 /nfs/dbraw/zinc/92/33/00/571923300.db2.gz DAXUPYKPVRGECP-JOAKQRRISA-N 2 1 182.311 1.622 10 0 ADAEMP C[NH2+]CC/C=C/[C@@H]1CCC[N@@H+](C)C1 687680285 571923318 /nfs/dbraw/zinc/92/33/18/571923318.db2.gz YVNXHRPKEMAQHG-ZXCPCRMDSA-N 2 1 182.311 1.494 10 0 ADAEMP C[C@@H]1C[N@@H+](C)[C@H]([C@@H]2CCC[NH2+]C2)[C@@H]1C 107265140 573459468 /nfs/dbraw/zinc/45/94/68/573459468.db2.gz OWHDVZLCKCBALZ-KKOKHZNYSA-N 2 1 196.338 1.572 10 0 ADAEMP [NH3+][C@@H](C[NH2+]C1CC1)Cc1cccs1 258383283 573460551 /nfs/dbraw/zinc/46/05/51/573460551.db2.gz TWJQRFGUPFXTBV-MRVPVSSYSA-N 2 1 196.319 1.370 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C2CC2)C1 715152687 573460572 /nfs/dbraw/zinc/46/05/72/573460572.db2.gz FCOLGVPWRUGLPG-SDDRHHMPSA-N 2 1 194.322 1.313 10 0 ADAEMP Nc1cc[nH+]cc1C[NH+]1CCCC1 257814549 573460672 /nfs/dbraw/zinc/46/06/72/573460672.db2.gz CLLNYHMUYAROMT-UHFFFAOYSA-N 2 1 177.251 1.260 10 0 ADAEMP CC[N@H+]1CC[NH2+]CC2(CCCCC2)C1 258395210 573465014 /nfs/dbraw/zinc/46/50/14/573465014.db2.gz BNSGAVBUTVWIPC-UHFFFAOYSA-N 2 1 196.338 1.862 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@H]2[NH2+]C(C)(C)CO2)C1 258397117 573465065 /nfs/dbraw/zinc/46/50/65/573465065.db2.gz ICPWNNAZMOBIFD-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[NH2+]C[C@H]1C[N@@H+](C2CC2)C(C)(C)C1 259461249 573465098 /nfs/dbraw/zinc/46/50/98/573465098.db2.gz QCOJTXQJZVAQPO-VIFPVBQESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC2(CCC2)O1 711437308 571972609 /nfs/dbraw/zinc/97/26/09/571972609.db2.gz KIZALLKBNVNDDR-UWVGGRQHSA-N 2 1 198.310 1.025 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+](C)Cc1ccccc1 41053754 571972637 /nfs/dbraw/zinc/97/26/37/571972637.db2.gz NZQAGNJVGUWQIN-QWRGUYRKSA-N 2 1 192.306 1.854 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+](C)Cc1ccccc1 41053754 571972639 /nfs/dbraw/zinc/97/26/39/571972639.db2.gz NZQAGNJVGUWQIN-QWRGUYRKSA-N 2 1 192.306 1.854 10 0 ADAEMP CCC[N@H+](C)C[C@@H]1CCCCC[NH2+]1 81002929 571973066 /nfs/dbraw/zinc/97/30/66/571973066.db2.gz ZQYVQMLPDOXSSX-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CCCCC[NH2+]1 81002929 571973068 /nfs/dbraw/zinc/97/30/68/571973068.db2.gz ZQYVQMLPDOXSSX-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@](C)(F)C[NH3+])C1 257820674 573467038 /nfs/dbraw/zinc/46/70/38/573467038.db2.gz FUNGRJFTMGBREC-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@H]2CC[N@@H+](C)C2)C[NH2+]1 258357425 573467053 /nfs/dbraw/zinc/46/70/53/573467053.db2.gz YZKVYRBQUPEAJG-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP Cc1ccc(NC[C@@H](C)C[NH3+])[nH+]c1 83387645 573471937 /nfs/dbraw/zinc/47/19/37/573471937.db2.gz GGRGAZNVLPHCMJ-VIFPVBQESA-N 2 1 179.267 1.397 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[N@H+](C)CC1CC1 235544292 571978112 /nfs/dbraw/zinc/97/81/12/571978112.db2.gz KOUNLILTMXVRRZ-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[N@@H+](C)CC1CC1 235544292 571978114 /nfs/dbraw/zinc/97/81/14/571978114.db2.gz KOUNLILTMXVRRZ-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H](F)CC[NH3+])C1 107282136 573472013 /nfs/dbraw/zinc/47/20/13/573472013.db2.gz OSPFZTPHIBYLEU-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH2+]C)C1CC1 68900047 571997570 /nfs/dbraw/zinc/99/75/70/571997570.db2.gz PZGHURBPMCIYMO-SNVBAGLBSA-N 2 1 193.294 1.444 10 0 ADAEMP CC[NH2+][C@@H](C[N@H+]1CC[C@H](C)C1)C1CC1 68894842 572002624 /nfs/dbraw/zinc/00/26/24/572002624.db2.gz DMFMLIAFGXSVQV-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCC[C@@H]21 393475300 572002641 /nfs/dbraw/zinc/00/26/41/572002641.db2.gz RSBKHWAHAOBJLR-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CCC(C)C)C1CC1 68895031 572002653 /nfs/dbraw/zinc/00/26/53/572002653.db2.gz GNWDYYMIMJDIGD-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CCC(C)C)C1CC1 68895031 572002655 /nfs/dbraw/zinc/00/26/55/572002655.db2.gz GNWDYYMIMJDIGD-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)c1[nH+]ccn1C[C@@H]([NH3+])C1CC1 68898953 572002671 /nfs/dbraw/zinc/00/26/71/572002671.db2.gz ACVAETIPVVULAI-SNVBAGLBSA-N 2 1 193.294 1.744 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)C[C@@H]1C[C@@H]1C)C1CC1 68897955 572002679 /nfs/dbraw/zinc/00/26/79/572002679.db2.gz IFGZATUBTZJDJP-DLOVCJGASA-N 2 1 196.338 1.572 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)C1CC1 68897955 572002680 /nfs/dbraw/zinc/00/26/80/572002680.db2.gz IFGZATUBTZJDJP-DLOVCJGASA-N 2 1 196.338 1.572 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@@H+]1CC[C@@H](CF)C1 711520320 572000272 /nfs/dbraw/zinc/00/02/72/572000272.db2.gz PGXOBCAWVRZARR-UWVGGRQHSA-N 2 1 188.290 1.261 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@H+]1CC[C@@H](CF)C1 711520320 572000274 /nfs/dbraw/zinc/00/02/74/572000274.db2.gz PGXOBCAWVRZARR-UWVGGRQHSA-N 2 1 188.290 1.261 10 0 ADAEMP C[NH2+][C@H](Cn1cc[nH+]c1C)C1CC1 68898423 572000311 /nfs/dbraw/zinc/00/03/11/572000311.db2.gz BIEPQTSVQBJNBP-SNVBAGLBSA-N 2 1 179.267 1.190 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 83392688 573479148 /nfs/dbraw/zinc/47/91/48/573479148.db2.gz VYADCDUPJCVQPU-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP CCC(C)(C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 713183733 572000320 /nfs/dbraw/zinc/00/03/20/572000320.db2.gz TYDDZZUNODVHIW-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CC1CCC1)C1CC1 68897019 572000321 /nfs/dbraw/zinc/00/03/21/572000321.db2.gz OVUGXONJEHIXAR-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CC1CCC1)C1CC1 68897019 572000323 /nfs/dbraw/zinc/00/03/23/572000323.db2.gz OVUGXONJEHIXAR-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H]([NH3+])C1CC1 68897919 572000636 /nfs/dbraw/zinc/00/06/36/572000636.db2.gz CXAXLWPVISLEKO-IEBDPFPHSA-N 2 1 182.311 1.312 10 0 ADAEMP C[N@H+](CC1CC1)C[C@H]([NH3+])C1CC1 68894764 572000648 /nfs/dbraw/zinc/00/06/48/572000648.db2.gz ZJYWBOKQMGRSGA-JTQLQIEISA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CC[C@H](C)C1)C1CC1 68894839 572000684 /nfs/dbraw/zinc/00/06/84/572000684.db2.gz JYMPELWQZPVQLW-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CC1CC1)C1CC1 68894772 572000709 /nfs/dbraw/zinc/00/07/09/572000709.db2.gz HHUAUFDCQNWHHB-LLVKDONJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CC1CC1)C1CC1 68894772 572000711 /nfs/dbraw/zinc/00/07/11/572000711.db2.gz HHUAUFDCQNWHHB-LLVKDONJSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@H+]1CC[C@H]2[NH2+]CC(C)(C)[C@H]2C1 250203596 572015356 /nfs/dbraw/zinc/01/53/56/572015356.db2.gz BQZKVUZSVQMNNX-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)C 308595923 573481506 /nfs/dbraw/zinc/48/15/06/573481506.db2.gz MNPYPKNASQLHGP-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)C 308595922 573481557 /nfs/dbraw/zinc/48/15/57/573481557.db2.gz MNPYPKNASQLHGP-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@H+](C)C[C@H]1[NH2+]CCC[C@H]1C 300228154 572008595 /nfs/dbraw/zinc/00/85/95/572008595.db2.gz KJHVILHQOOUBHT-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1[NH2+]CCC[C@H]1C 300228154 572008598 /nfs/dbraw/zinc/00/85/98/572008598.db2.gz KJHVILHQOOUBHT-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CC[C@@H](C)[NH2+]C[C@H]1C 250204312 572015297 /nfs/dbraw/zinc/01/52/97/572015297.db2.gz BTLWLSSPGYMINO-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C(C)C)[C@@H]1C 259106589 573485069 /nfs/dbraw/zinc/48/50/69/573485069.db2.gz AWHLAGVZNKPKQP-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[C@@H]2[NH3+])C1 86531650 573485121 /nfs/dbraw/zinc/48/51/21/573485121.db2.gz QLNRTYMZUWQOCG-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)C(C)(C)CC 68998912 572017314 /nfs/dbraw/zinc/01/73/14/572017314.db2.gz QKHKOELEZAJIAU-QMMMGPOBSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)C(C)(C)CC 68998912 572017315 /nfs/dbraw/zinc/01/73/15/572017315.db2.gz QKHKOELEZAJIAU-QMMMGPOBSA-N 2 1 185.315 1.821 10 0 ADAEMP CCC(C)(C)[N@@H+](C)CCC(N)=[NH2+] 68998834 572017324 /nfs/dbraw/zinc/01/73/24/572017324.db2.gz FECICHAKBUHUDF-UHFFFAOYSA-N 2 1 171.288 1.433 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC2)CC1 83418762 573490631 /nfs/dbraw/zinc/49/06/31/573490631.db2.gz HWVLLVQTILILPD-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)CC[C@@H]([NH3+])C[NH+](C)C 82405598 572027901 /nfs/dbraw/zinc/02/79/01/572027901.db2.gz FGIZJVMDZKBQGY-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CC1CCCC1 82492351 572041425 /nfs/dbraw/zinc/04/14/25/572041425.db2.gz HPVHCQAOEPEVOS-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)CC1CCCC1 82493139 572041450 /nfs/dbraw/zinc/04/14/50/572041450.db2.gz PGMHPGCDEASTDE-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](C)CC1CCCC1 82492465 572041520 /nfs/dbraw/zinc/04/15/20/572041520.db2.gz CNKYVTGREYSTEM-SNVBAGLBSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](C)CC1CCCC1 82492465 572041522 /nfs/dbraw/zinc/04/15/22/572041522.db2.gz CNKYVTGREYSTEM-SNVBAGLBSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[NH2+]CC[NH2+]CCC1CCC1 229115821 572041829 /nfs/dbraw/zinc/04/18/29/572041829.db2.gz ZKWVAUYBDLIXDR-UHFFFAOYSA-N 2 1 170.300 1.376 10 0 ADAEMP CSCCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 235053446 572041858 /nfs/dbraw/zinc/04/18/58/572041858.db2.gz PTFCWWGSAPGRDQ-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 235053446 572041860 /nfs/dbraw/zinc/04/18/60/572041860.db2.gz PTFCWWGSAPGRDQ-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235053160 572041905 /nfs/dbraw/zinc/04/19/05/572041905.db2.gz PTFCWWGSAPGRDQ-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235053160 572041906 /nfs/dbraw/zinc/04/19/06/572041906.db2.gz PTFCWWGSAPGRDQ-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CC1CCCC1 82491995 572041927 /nfs/dbraw/zinc/04/19/27/572041927.db2.gz AXYILHXOOQFWLA-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 36169796 572041937 /nfs/dbraw/zinc/04/19/37/572041937.db2.gz QBJDVFRPFAGBRM-NXEZZACHSA-N 2 1 197.326 1.680 10 0 ADAEMP CS[C@@H](C)CC[NH2+][C@H](C)C[NH3+] 235058816 572042883 /nfs/dbraw/zinc/04/28/83/572042883.db2.gz CYLAYBCQBJPLEU-SFYZADRCSA-N 2 1 176.329 1.065 10 0 ADAEMP CC(C)c1[nH+]ccn1C[C@H](C)C(N)=[NH2+] 36678809 572058504 /nfs/dbraw/zinc/05/85/04/572058504.db2.gz IPPWVGZSZYGUDF-QMMMGPOBSA-N 2 1 194.282 1.579 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@H](C)C1 36677449 572058558 /nfs/dbraw/zinc/05/85/58/572058558.db2.gz HUIOVIGTALHARD-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CC1CCC1)CC1CC([NH3+])C1 84984590 572089511 /nfs/dbraw/zinc/08/95/11/572089511.db2.gz KHUSATNQQLBIEH-UHFFFAOYSA-N 2 1 182.311 1.456 10 0 ADAEMP CCCC[N@@H+](C)CC1CC([NH3+])C1 84984564 572089538 /nfs/dbraw/zinc/08/95/38/572089538.db2.gz QWKMXSNMYHXHLL-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCCC[N@@H+](C)CC1CC([NH3+])C1 84984623 572089610 /nfs/dbraw/zinc/08/96/10/572089610.db2.gz QYLCJDYTVKNKJL-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C[C@H](C)C[NH3+])C1CC1 37096786 572089624 /nfs/dbraw/zinc/08/96/24/572089624.db2.gz QVBWNIMJCIULQT-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1[NH3+] 78481490 573493559 /nfs/dbraw/zinc/49/35/59/573493559.db2.gz VWSKNVJIFPNEBK-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP CCCC[C@H]1C[C@H]([NH3+])CC[N@H+]1CC 83426096 573493593 /nfs/dbraw/zinc/49/35/93/573493593.db2.gz UXSOEVQVGBKWBA-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@H](C)[N@H+](C)CC[NH2+]C 36790991 572071819 /nfs/dbraw/zinc/07/18/19/572071819.db2.gz COBVAVNWETWDER-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CC[NH2+]C 36790991 572071820 /nfs/dbraw/zinc/07/18/20/572071820.db2.gz COBVAVNWETWDER-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82651204 572071821 /nfs/dbraw/zinc/07/18/21/572071821.db2.gz LHYFTRPGJHVDRS-YFKTTZPYSA-N 2 1 196.338 1.430 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650508 572071830 /nfs/dbraw/zinc/07/18/30/572071830.db2.gz MPSRKVVHVXPRPK-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)([NH3+])[C@H]([NH3+])Cc1ccccc1 34321036 572071858 /nfs/dbraw/zinc/07/18/58/572071858.db2.gz WBGNEOZSTJCAMG-SNVBAGLBSA-N 2 1 178.279 1.294 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 82651158 572071905 /nfs/dbraw/zinc/07/19/05/572071905.db2.gz GHHRUWFJTAHPTB-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 82650386 572071917 /nfs/dbraw/zinc/07/19/17/572071917.db2.gz OLUCWQVXKTXNHO-UTLUCORTSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82650386 572071918 /nfs/dbraw/zinc/07/19/18/572071918.db2.gz OLUCWQVXKTXNHO-UTLUCORTSA-N 2 1 170.300 1.182 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 82651763 572071971 /nfs/dbraw/zinc/07/19/71/572071971.db2.gz KBMQYAZWNYKUGI-RHYQMDGZSA-N 2 1 196.338 1.702 10 0 ADAEMP CCCC[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC 83426099 573493664 /nfs/dbraw/zinc/49/36/64/573493664.db2.gz UXSOEVQVGBKWBA-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H](CCCC[NH3+])[N@H+]1CC[C@H](F)C1 689812660 573493671 /nfs/dbraw/zinc/49/36/71/573493671.db2.gz BBYABAHTQSMIJP-ZJUUUORDSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666946 572078432 /nfs/dbraw/zinc/07/84/32/572078432.db2.gz OSUSEMKPAJOHLC-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](C1CCCC1)C(C)(C)CC[NH3+] 258694446 573493773 /nfs/dbraw/zinc/49/37/73/573493773.db2.gz BPUQBRATYDYPAI-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[N@@H+](C)CCC(C)(C)[NH3+] 82777056 572111282 /nfs/dbraw/zinc/11/12/82/572111282.db2.gz UEFOCNJXIZNFKK-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CC1([NH2+]CC[NH2+]C2CC2)CCCC1 82785801 572111600 /nfs/dbraw/zinc/11/16/00/572111600.db2.gz UAMPPUQXZAVDJX-UHFFFAOYSA-N 2 1 182.311 1.661 10 0 ADAEMP CC[N@H+]1CCC/C(=C\C[NH3+])CC1 83424070 573495147 /nfs/dbraw/zinc/49/51/47/573495147.db2.gz UUQKYKXAORCKQL-BJMVGYQFSA-N 2 1 168.284 1.377 10 0 ADAEMP CCCC[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC 83426097 573495182 /nfs/dbraw/zinc/49/51/82/573495182.db2.gz UXSOEVQVGBKWBA-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)C[NH2+]CCc1cc[nH+]c(N)c1 69942483 572161015 /nfs/dbraw/zinc/16/10/15/572161015.db2.gz CTWJAIIBTFEIKD-UHFFFAOYSA-N 2 1 193.294 1.452 10 0 ADAEMP CC[C@@H](Cc1c[nH+]ccc1N)[NH2+]C 69941482 572161115 /nfs/dbraw/zinc/16/11/15/572161115.db2.gz LQBCZSPTQXBZAL-VIFPVBQESA-N 2 1 179.267 1.204 10 0 ADAEMP CCCC[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484724 572161182 /nfs/dbraw/zinc/16/11/82/572161182.db2.gz DNRZWTRCAWZHNO-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP CC(C)C[NH2+]CCc1c[nH+]ccc1N 69941596 572161204 /nfs/dbraw/zinc/16/12/04/572161204.db2.gz LSZSTYMUIUFQOV-UHFFFAOYSA-N 2 1 193.294 1.452 10 0 ADAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)C 69942246 572161248 /nfs/dbraw/zinc/16/12/48/572161248.db2.gz DJJHSYVYWOHTKJ-JTQLQIEISA-N 2 1 193.294 1.450 10 0 ADAEMP CC[NH2+][C@H](C)Cc1c[nH+]ccc1N 69941492 572161257 /nfs/dbraw/zinc/16/12/57/572161257.db2.gz HUAYHBOODYKKOO-MRVPVSSYSA-N 2 1 179.267 1.204 10 0 ADAEMP CCC[NH2+]CCc1c[nH+]ccc1N 69941592 572161263 /nfs/dbraw/zinc/16/12/63/572161263.db2.gz KENDUENQFVWPAE-UHFFFAOYSA-N 2 1 179.267 1.206 10 0 ADAEMP CC[NH2+][C@H](C)Cc1cc[nH+]c(N)c1 69942279 572161282 /nfs/dbraw/zinc/16/12/82/572161282.db2.gz BHHONQJWALAJHS-MRVPVSSYSA-N 2 1 179.267 1.204 10 0 ADAEMP CCC[NH2+][C@@H](C)Cc1c[nH+]ccc1N 69941493 572161286 /nfs/dbraw/zinc/16/12/86/572161286.db2.gz RNZUFHXNAHKUMU-VIFPVBQESA-N 2 1 193.294 1.594 10 0 ADAEMP [NH3+]C1(C[NH2+]CCc2ccccc2)CC1 258691231 573495255 /nfs/dbraw/zinc/49/52/55/573495255.db2.gz QHZAJWWABHBHKV-UHFFFAOYSA-N 2 1 190.290 1.310 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C)C1(C)C 259478502 573499162 /nfs/dbraw/zinc/49/91/62/573499162.db2.gz REJVVISTWYGPHH-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[C@]1(C[NH3+])CCCC[NH2+]1 258702506 573499179 /nfs/dbraw/zinc/49/91/79/573499179.db2.gz NEFOAOKRWNRFJT-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[NH+](C[C@H]1CC[N@@H+](C)C1)C1CC1 687713718 572233333 /nfs/dbraw/zinc/23/33/33/572233333.db2.gz YXDNIFJHFHDCSA-JTQLQIEISA-N 2 1 182.311 1.422 10 0 ADAEMP C[C@@H]1CC[C@@]12[C@H]([NH3+])CC[N@H+]2CC1CC1 712025281 572240063 /nfs/dbraw/zinc/24/00/63/572240063.db2.gz WNVSMPPWWVYMGT-JLLWLGSASA-N 2 1 194.322 1.598 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)CC 83606827 572343308 /nfs/dbraw/zinc/34/33/08/572343308.db2.gz SXCNULQKQWIVKC-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)CC(C)C 83606812 572343363 /nfs/dbraw/zinc/34/33/63/572343363.db2.gz ARAQWTZHRAZOTD-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C1CC1 83606727 572343419 /nfs/dbraw/zinc/34/34/19/572343419.db2.gz CMXGTPDQWRPCKU-SECBINFHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+]CC[NH2+]CCCC(C)(F)F 390066517 573506147 /nfs/dbraw/zinc/50/61/47/573506147.db2.gz BRLIDMJCCBLEKB-UHFFFAOYSA-N 2 1 180.242 1.231 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)CCC(C)C 83607683 572345538 /nfs/dbraw/zinc/34/55/38/572345538.db2.gz XVAXIZOEDGIWTL-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@@H]([NH3+])CNc1ccc2[nH]c[nH+]c2c1 258715157 573506191 /nfs/dbraw/zinc/50/61/91/573506191.db2.gz IHXWEWNLHBANHW-SSDOTTSWSA-N 2 1 190.250 1.322 10 0 ADAEMP CC[N@@H+](C)C[C@H](C[NH3+])C(C)C 83606704 572346798 /nfs/dbraw/zinc/34/67/98/572346798.db2.gz KLJFQCLXJPQRHM-VIFPVBQESA-N 2 1 158.289 1.169 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)[C@H](C)CC 83606825 572346849 /nfs/dbraw/zinc/34/68/49/572346849.db2.gz SXCNULQKQWIVKC-ZJUUUORDSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H]1CC[C@H](CCC[NH3+])C[N@H+]1C 76598391 572379549 /nfs/dbraw/zinc/37/95/49/572379549.db2.gz HFFSHBCKSMKJFP-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@H](CC(C)(C)[NH3+])c1ccccn1 259480072 573506266 /nfs/dbraw/zinc/50/62/66/573506266.db2.gz QPODSHPFWRQYOC-SNVBAGLBSA-N 2 1 193.294 1.470 10 0 ADAEMP C[C@H]1CC[C@@H](CCC[NH3+])C[N@H+]1C 76598396 572379694 /nfs/dbraw/zinc/37/96/94/572379694.db2.gz HFFSHBCKSMKJFP-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC(CC)[NH2+][C@@H](C[NH3+])C(C)C 87157001 572379722 /nfs/dbraw/zinc/37/97/22/572379722.db2.gz YZVDNDQMTUUGJV-JTQLQIEISA-N 2 1 172.316 1.748 10 0 ADAEMP CCc1[nH+]c(N)[nH]c1[C@H]1CCC[N@H+]1C 258048721 573506398 /nfs/dbraw/zinc/50/63/98/573506398.db2.gz JYTADKCKVVFOHI-MRVPVSSYSA-N 2 1 194.282 1.321 10 0 ADAEMP CC[C@H](C)[NH2+][C@](CC)(C[NH3+])C1CC1 83760543 572396074 /nfs/dbraw/zinc/39/60/74/572396074.db2.gz MQEFDFYLKZKDMU-GXSJLCMTSA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]Cc1cccs1 83758604 572396154 /nfs/dbraw/zinc/39/61/54/572396154.db2.gz ULWXNLIQRLOCRZ-VIFPVBQESA-N 2 1 198.335 1.965 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]Cc1cccs1 83758648 572396166 /nfs/dbraw/zinc/39/61/66/572396166.db2.gz MSBODSPADRQGBN-JTQLQIEISA-N 2 1 198.335 1.821 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](C)(CC)C[NH3+] 83760999 572396208 /nfs/dbraw/zinc/39/62/08/572396208.db2.gz FFARUMLIVYMWLK-IUCAKERBSA-N 2 1 158.289 1.502 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H](C[NH3+])C(C)(C)C 83760487 572396219 /nfs/dbraw/zinc/39/62/19/572396219.db2.gz IATVAKKNDMDLSD-RKDXNWHRSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]Cc1cccs1 83758623 572396241 /nfs/dbraw/zinc/39/62/41/572396241.db2.gz JADSXRQYDQDPNL-MRVPVSSYSA-N 2 1 184.308 1.575 10 0 ADAEMP CCc1ccsc1C[NH2+]CC[NH3+] 87310174 572415402 /nfs/dbraw/zinc/41/54/02/572415402.db2.gz MPQMOZKHBMLIAP-UHFFFAOYSA-N 2 1 184.308 1.359 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1cc[nH]c1 258726683 573512024 /nfs/dbraw/zinc/51/20/24/573512024.db2.gz JLYMYIBSTGSWCT-VIFPVBQESA-N 2 1 181.283 1.184 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[C@H]([NH3+])C2)c1C 86601107 573512286 /nfs/dbraw/zinc/51/22/86/573512286.db2.gz GDJJENUMCWJMAR-WDEREUQCSA-N 2 1 193.294 1.942 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@H]2CCCCC[C@@H]2C1 250609978 572493735 /nfs/dbraw/zinc/49/37/35/572493735.db2.gz MIPJUTFTIVUPJX-WOPDTQHZSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1C[C@@H]2CC[NH2+][C@H]2C2(CCCC2)C1 250604621 572494281 /nfs/dbraw/zinc/49/42/81/572494281.db2.gz KXPCPHFSOTVZOZ-WDEREUQCSA-N 2 1 194.322 1.470 10 0 ADAEMP Cc1[nH]cc(C2CCC(C[NH3+])CC2)[nH+]1 74247460 572497375 /nfs/dbraw/zinc/49/73/75/572497375.db2.gz NDLJWENGFNJHKS-UHFFFAOYSA-N 2 1 193.294 1.951 10 0 ADAEMP CC(C)[C@@H]1CCC[N@@H+]1CC[C@@H](C)[NH3+] 84125924 572503857 /nfs/dbraw/zinc/50/38/57/572503857.db2.gz NDIZOTMYNQEDNQ-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@@H]1CCC[N@@H+]1C[C@@H](C)C[NH3+] 84125251 572503908 /nfs/dbraw/zinc/50/39/08/572503908.db2.gz CVJYILXMQBFQGP-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CCc1cc(O[C@@H](C)C[NH2+]C)cc[nH+]1 307778764 572504249 /nfs/dbraw/zinc/50/42/49/572504249.db2.gz IACPNNWHQFBMDS-VIFPVBQESA-N 2 1 194.278 1.631 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C(C)(C)[NH3+] 107326770 573512588 /nfs/dbraw/zinc/51/25/88/573512588.db2.gz SZMKQWJBOKUBLQ-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1([NH2+]CC[NH3+])CCCCC1 45047224 572504675 /nfs/dbraw/zinc/50/46/75/572504675.db2.gz BDFKZEOBIFTTTH-UHFFFAOYSA-N 2 1 156.273 1.258 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@H]1CC[NH2+]C1 250638699 572504696 /nfs/dbraw/zinc/50/46/96/572504696.db2.gz SOFYZQVPPRKRCZ-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@H]1CC[NH2+]C1 250638698 572504701 /nfs/dbraw/zinc/50/47/01/572504701.db2.gz SOFYZQVPPRKRCZ-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1C[C@@H](C)C(N)=[NH2+] 84126235 572504706 /nfs/dbraw/zinc/50/47/06/572504706.db2.gz AQFIZNIEKNZNIV-NXEZZACHSA-N 2 1 197.326 1.679 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1c1ccsc1 250639792 572504819 /nfs/dbraw/zinc/50/48/19/572504819.db2.gz SUSXQSGZIQLUCN-UWVGGRQHSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1c1ccsc1 250639792 572504821 /nfs/dbraw/zinc/50/48/21/572504821.db2.gz SUSXQSGZIQLUCN-UWVGGRQHSA-N 2 1 196.319 1.842 10 0 ADAEMP CC[C@H](C)[C@@H](C)[N@@H+](C)CCC[NH2+]C 87472392 572505476 /nfs/dbraw/zinc/50/54/76/572505476.db2.gz XDBXRPAFXXSOFS-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CC[C@@H](C)C1 87472183 572506479 /nfs/dbraw/zinc/50/64/79/572506479.db2.gz KFJICQXHTFQIJQ-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccco2)C1 250654792 572521429 /nfs/dbraw/zinc/52/14/29/572521429.db2.gz XNXAOYUIQOESKV-ONGXEEELSA-N 2 1 194.278 1.101 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccco2)C1 250654792 572521432 /nfs/dbraw/zinc/52/14/32/572521432.db2.gz XNXAOYUIQOESKV-ONGXEEELSA-N 2 1 194.278 1.101 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])C1CCCCC1 250662367 572521446 /nfs/dbraw/zinc/52/14/46/572521446.db2.gz ZBDFYBOUAFMFMF-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1C1CCCC1 250657481 572521634 /nfs/dbraw/zinc/52/16/34/572521634.db2.gz YCSYAUAPQJXSAI-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCCC[NH3+])[C@@H]1C 50563677 573513297 /nfs/dbraw/zinc/51/32/97/573513297.db2.gz KVKBBANDGFSSKS-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H]1[C@H](CC[NH3+])C1CC1 250652980 572524366 /nfs/dbraw/zinc/52/43/66/572524366.db2.gz XCTKCXCJLPFLSU-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1CC[N@H+](C)C1 62992733 572524372 /nfs/dbraw/zinc/52/43/72/572524372.db2.gz ZTEHCDJEIIZALC-QMMMGPOBSA-N 2 1 169.272 1.057 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1CC[N@@H+](C)C1 62992733 572524374 /nfs/dbraw/zinc/52/43/74/572524374.db2.gz ZTEHCDJEIIZALC-QMMMGPOBSA-N 2 1 169.272 1.057 10 0 ADAEMP CCc1[nH]c(CC[C@@H](C)[NH3+])[nH+]c1C 258726462 573513880 /nfs/dbraw/zinc/51/38/80/573513880.db2.gz OYIUCZUJVXITBG-SSDOTTSWSA-N 2 1 181.283 1.560 10 0 ADAEMP C[C@H]1[C@@H]2C[C@H]([NH3+])C[C@@H]2C[C@@H](C)[N@@H+]1C 250913316 572538085 /nfs/dbraw/zinc/53/80/85/572538085.db2.gz WCUZMEKFHJVGFQ-KJPMQGKISA-N 2 1 182.311 1.452 10 0 ADAEMP CC(C)[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258718867 573514000 /nfs/dbraw/zinc/51/40/00/573514000.db2.gz LOIRZORNTLMFBV-QMMMGPOBSA-N 2 1 156.273 1.125 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C(C)(C)[NH3+] 107326771 573514079 /nfs/dbraw/zinc/51/40/79/573514079.db2.gz SZMKQWJBOKUBLQ-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC2)C[C@H]1C 308605239 573518665 /nfs/dbraw/zinc/51/86/65/573518665.db2.gz PKLHEIDXEICXPX-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]CC2CC2)C[C@@H]1C 308605230 573518698 /nfs/dbraw/zinc/51/86/98/573518698.db2.gz PKLHEIDXEICXPX-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]CCC1CCCC1 258731609 573518800 /nfs/dbraw/zinc/51/88/00/573518800.db2.gz DZWLOFMBPFSWEY-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([C@H](F)C[NH3+])C1 257823165 573518895 /nfs/dbraw/zinc/51/88/95/573518895.db2.gz GNNBIKXUEDLNHV-VHSXEESVSA-N 2 1 188.290 1.404 10 0 ADAEMP C[C@H]1CCCCC[N@@H+]1[C@@H](C)CC(N)=[NH2+] 69945139 572615629 /nfs/dbraw/zinc/61/56/29/572615629.db2.gz QWSNTDYFMGUZAI-UWVGGRQHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC(C)C[N@@H+]1C[C@H](C(C)C)C[C@@H](N)C1 250542811 572615645 /nfs/dbraw/zinc/61/56/45/572615645.db2.gz BWJVUHWXPLDBNU-VXGBXAGGSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)CN1C[C@H](C(C)C)C[C@@H]([NH3+])C1 250542811 572615650 /nfs/dbraw/zinc/61/56/50/572615650.db2.gz BWJVUHWXPLDBNU-VXGBXAGGSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H]1CCCC[N@H+]1C 83268929 572619071 /nfs/dbraw/zinc/61/90/71/572619071.db2.gz LTYWUDMSVDHAMV-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCCCC[N@@H+](C)C/C=C/C[NH3+] 85054794 572635468 /nfs/dbraw/zinc/63/54/68/572635468.db2.gz WMIXWSLTKPYHJO-FNORWQNLSA-N 2 1 170.300 1.623 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C/C=C/C[NH3+] 85054846 572637098 /nfs/dbraw/zinc/63/70/98/572637098.db2.gz SRDCUWGSCLCQKB-HMDXOVGESA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])C1CCCC1 85054783 572637106 /nfs/dbraw/zinc/63/71/06/572637106.db2.gz PTJCQWWIKBLBGE-SNAWJCMRSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[N@@H+](C/C=C/C[NH3+])C[C@@H]1CCCO1 85054889 572637117 /nfs/dbraw/zinc/63/71/17/572637117.db2.gz PQZWHZNIHLACLP-UFFNRZRYSA-N 2 1 198.310 1.002 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[NH3+])C2)C1 251838194 572651904 /nfs/dbraw/zinc/65/19/04/572651904.db2.gz QODMCAPBJNEOKN-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCCC(N)=[NH2+])[C@@H]1C 50565062 573519073 /nfs/dbraw/zinc/51/90/73/573519073.db2.gz GBYHCPGBEIOZKD-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]CCc1cc[nH]c1 258756740 573530509 /nfs/dbraw/zinc/53/05/09/573530509.db2.gz GXMZHIXFULFZRW-NSHDSACASA-N 2 1 195.310 1.130 10 0 ADAEMP C[NH2+][C@H](C[NH2+]C1CC1)CC(C)C 259488150 573530548 /nfs/dbraw/zinc/53/05/48/573530548.db2.gz RDWGGNQBWUBVJO-JTQLQIEISA-N 2 1 170.300 1.373 10 0 ADAEMP C1C[NH2+][C@H]2C[N@@H+](CC3CC3)C[C@H]2C1 299894013 572673949 /nfs/dbraw/zinc/67/39/49/572673949.db2.gz RLPGSHYWRQUEOW-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H](C[NH3+])C1(C)C 259491561 573531347 /nfs/dbraw/zinc/53/13/47/573531347.db2.gz SCZRVFFEHAKSOO-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]([NH3+])c1ncc([C@@H]2CCC[N@H+]2C)[nH]1 258058498 573531372 /nfs/dbraw/zinc/53/13/72/573531372.db2.gz KNPAHWMWJCVDIX-APPZFPTMSA-N 2 1 194.282 1.196 10 0 ADAEMP C[C@@H]([NH3+])c1nc([C@@H]2CCC[N@@H+]2C)c[nH]1 258058498 573531377 /nfs/dbraw/zinc/53/13/77/573531377.db2.gz KNPAHWMWJCVDIX-APPZFPTMSA-N 2 1 194.282 1.196 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CCC[NH2+]2)OC1 258756387 573531556 /nfs/dbraw/zinc/53/15/56/573531556.db2.gz WPEWOIFJLFWNMG-MXWKQRLJSA-N 2 1 198.310 1.101 10 0 ADAEMP [NH3+][C@@H](c1ccc[nH]1)[C@H]1CCC[NH2+]C1 259490328 573531622 /nfs/dbraw/zinc/53/16/22/573531622.db2.gz SXRZWOKPSZDLGC-WCBMZHEXSA-N 2 1 179.267 1.014 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@H+](C)CCC1CC1 308093901 572680755 /nfs/dbraw/zinc/68/07/55/572680755.db2.gz WIWPRQQDFJEUOR-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@@H+](C)CCC1CC1 308093901 572680758 /nfs/dbraw/zinc/68/07/58/572680758.db2.gz WIWPRQQDFJEUOR-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C)C2(CCCC2)C1 107345063 573535784 /nfs/dbraw/zinc/53/57/84/573535784.db2.gz SHJQEXKYPVQSFX-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP [NH3+][C@@H](C[C@@H]1CCC[NH2+]1)c1ccncc1 259494545 573536181 /nfs/dbraw/zinc/53/61/81/573536181.db2.gz TYZKYBZXJHZVLJ-QWRGUYRKSA-N 2 1 191.278 1.224 10 0 ADAEMP [NH3+][C@H](C[C@@H]1CCC[NH2+]1)c1ccncc1 259494546 573536383 /nfs/dbraw/zinc/53/63/83/573536383.db2.gz TYZKYBZXJHZVLJ-WDEREUQCSA-N 2 1 191.278 1.224 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1C1CCC1 107339450 573536499 /nfs/dbraw/zinc/53/64/99/573536499.db2.gz AYDOZKKKIMIPLM-QMMMGPOBSA-N 2 1 179.267 1.670 10 0 ADAEMP 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NRHMXLUMEBLVJY-UHFFFAOYSA-N 2 1 181.283 1.056 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])CCC1(C)C 259499861 573545904 /nfs/dbraw/zinc/54/59/04/573545904.db2.gz SVRKAYMGMCKJSX-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]([C@@H]1CCC[NH2+]C1)[N@H+]1CCC[C@H]1C 86658240 573546030 /nfs/dbraw/zinc/54/60/30/573546030.db2.gz QGYPDOBMTHEMPJ-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)CC[NH3+] 87936957 572760079 /nfs/dbraw/zinc/76/00/79/572760079.db2.gz DAIIPYMPAQPKCS-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C(C)C 87947085 572760375 /nfs/dbraw/zinc/76/03/75/572760375.db2.gz FUKJSLLJSKWFFB-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)CC[NH3+] 87937056 572761298 /nfs/dbraw/zinc/76/12/98/572761298.db2.gz SRDXPEYKTAEPDF-VIFPVBQESA-N 2 1 181.283 1.430 10 0 ADAEMP C[NH2+]C[C@@H]1C[NH2+]Cc2cc(F)ccc21 257825764 573549437 /nfs/dbraw/zinc/54/94/37/573549437.db2.gz HHKXEMUQRQKGON-SECBINFHSA-N 2 1 194.253 1.232 10 0 ADAEMP 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50271032 572872505 /nfs/dbraw/zinc/87/25/05/572872505.db2.gz VFSOFADBUBHLGH-VIFPVBQESA-N 2 1 158.289 1.358 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C 50270747 572872521 /nfs/dbraw/zinc/87/25/21/572872521.db2.gz GWAFGBQBBRAUFK-WDEREUQCSA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@@H+]1CC[C@@H]1C 86679765 573563634 /nfs/dbraw/zinc/56/36/34/573563634.db2.gz AJIXUHWNPDUBMF-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@H+]1CC[C@@H]1C 86679765 573563637 /nfs/dbraw/zinc/56/36/37/573563637.db2.gz AJIXUHWNPDUBMF-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH+]1CC(C)C1 86679694 573563760 /nfs/dbraw/zinc/56/37/60/573563760.db2.gz NCIWUPDVTGIXKU-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CCC1C[NH+]([C@H](C[NH3+])[C@@]2(C)C[C@@H]2C)C1 714713852 573563778 /nfs/dbraw/zinc/56/37/78/573563778.db2.gz APAVQSQNJVXSTO-WCQGTBRESA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]CCC(C)C 307960581 572851528 /nfs/dbraw/zinc/85/15/28/572851528.db2.gz KQOXXIVJGPAJIU-JTQLQIEISA-N 2 1 172.316 1.750 10 0 ADAEMP CC[NH2+]C(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015369 572854726 /nfs/dbraw/zinc/85/47/26/572854726.db2.gz ITVVAXZBCXRXCB-PHIMTYICSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012487 572854941 /nfs/dbraw/zinc/85/49/41/572854941.db2.gz YPTWMEUXLNUZJR-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1[NH3+] 77264089 572867416 /nfs/dbraw/zinc/86/74/16/572867416.db2.gz OXXJEJAUQFXXFH-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])C1(SC)CC1 307970682 572871507 /nfs/dbraw/zinc/87/15/07/572871507.db2.gz XBWLLVQOZYKSHE-QMMMGPOBSA-N 2 1 188.340 1.209 10 0 ADAEMP C[C@H]1CC[NH2+][C@H](C[NH2+]CCCF)C1 308156997 572871519 /nfs/dbraw/zinc/87/15/19/572871519.db2.gz UPZWSUXHOQNIOG-UWVGGRQHSA-N 2 1 188.290 1.324 10 0 ADAEMP C[C@H]1CCC[C@](C[NH3+])([NH2+]C2CC2)C1 50271068 572872493 /nfs/dbraw/zinc/87/24/93/572872493.db2.gz OFDIZTOLJYMEOU-ONGXEEELSA-N 2 1 182.311 1.646 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CCCCF 308162619 572892130 /nfs/dbraw/zinc/89/21/30/572892130.db2.gz XSHDOZALWKCTFC-QMMMGPOBSA-N 2 1 189.278 1.382 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@@H]2[NH2+]CCC[C@H]12 257615271 572892168 /nfs/dbraw/zinc/89/21/68/572892168.db2.gz XWAWIFPLBVGBJR-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2[NH2+]CCC[C@H]12 257615271 572892172 /nfs/dbraw/zinc/89/21/72/572892172.db2.gz XWAWIFPLBVGBJR-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP CCc1ccc(C[NH2+]C[C@@H](C)[NH3+])cc1 258778043 573568294 /nfs/dbraw/zinc/56/82/94/573568294.db2.gz OUFPXTAUNOIMLO-SNVBAGLBSA-N 2 1 192.306 1.686 10 0 ADAEMP Nc1cc[nH+]cc1[C@H](F)[C@@H]1CCC[NH2+]1 236360286 573569681 /nfs/dbraw/zinc/56/96/81/573569681.db2.gz KOGHJPGLCKKNBU-UWVGGRQHSA-N 2 1 195.241 1.426 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272809 572903624 /nfs/dbraw/zinc/90/36/24/572903624.db2.gz BTONQFJCRLRXTA-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)CC1CC1 86272689 572903709 /nfs/dbraw/zinc/90/37/09/572903709.db2.gz RPQWAWRESUTCKR-MWLCHTKSSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)CC1CCC1 86273086 572903747 /nfs/dbraw/zinc/90/37/47/572903747.db2.gz MPILFPHDUUHJLR-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H]1C)C(C)C 86272563 572903774 /nfs/dbraw/zinc/90/37/74/572903774.db2.gz ARHPJGKGSQSURM-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]Cc1ccco1 86272720 572903871 /nfs/dbraw/zinc/90/38/71/572903871.db2.gz CVCPJWFKIYKCHH-UWVGGRQHSA-N 2 1 194.278 1.367 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272578 572903900 /nfs/dbraw/zinc/90/39/00/572903900.db2.gz UVGAXDUIACQTOL-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1CCC[N@H+](CC[C@@H](C)C[NH3+])C1 87989165 572903902 /nfs/dbraw/zinc/90/39/02/572903902.db2.gz CEEMPFGVWQKWMT-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)CC1CCC1 86312369 572912369 /nfs/dbraw/zinc/91/23/69/572912369.db2.gz DVXPGJRBIHYVIZ-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)C[NH3+] 86311525 572913537 /nfs/dbraw/zinc/91/35/37/572913537.db2.gz ZLJDQCMCUCGWAS-VHSXEESVSA-N 2 1 172.316 1.700 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)CC1CC1 86311915 572913545 /nfs/dbraw/zinc/91/35/45/572913545.db2.gz VRAZUTQDYICTCV-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C 86311433 572913561 /nfs/dbraw/zinc/91/35/61/572913561.db2.gz KEXVVJWSOKFKDN-DCAQKATOSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[N@@H+](C[C@@H](C)C[NH3+])CC(C)(C)C 308188864 572917110 /nfs/dbraw/zinc/91/71/10/572917110.db2.gz HQWGKTDRYLWUTR-JTQLQIEISA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCCOCC[NH3+] 308191574 572926034 /nfs/dbraw/zinc/92/60/34/572926034.db2.gz OBLIOAJLZVKYBN-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[NH2+][C@H](C)c1c[nH+]c(NC)[nH]1 308194777 572926097 /nfs/dbraw/zinc/92/60/97/572926097.db2.gz QELRLRYGSOWJPZ-SSDOTTSWSA-N 2 1 182.271 1.512 10 0 ADAEMP CCc1[nH]c(CCC(C)(C)[NH3+])[nH+]c1C 258794806 573574925 /nfs/dbraw/zinc/57/49/25/573574925.db2.gz WBKUMSTWKVKQBF-UHFFFAOYSA-N 2 1 195.310 1.950 10 0 ADAEMP C[N@H+]1CCC[C@H](C2([NH3+])CC2)CC1 107404405 573576912 /nfs/dbraw/zinc/57/69/12/573576912.db2.gz PBRDEHKXAUASNI-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+]2CCC[C@@H]2C1 107404530 573576753 /nfs/dbraw/zinc/57/67/53/573576753.db2.gz CGLIWUSLCAKAHJ-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@H+](C)CCNC1=[NH+]CCCCC1 86455451 572940252 /nfs/dbraw/zinc/94/02/52/572940252.db2.gz KARFZMMGXWVABG-UHFFFAOYSA-N 2 1 197.326 1.500 10 0 ADAEMP CC[N@@H+](C)CCNC1=[NH+]CCCCC1 86455451 572940255 /nfs/dbraw/zinc/94/02/55/572940255.db2.gz KARFZMMGXWVABG-UHFFFAOYSA-N 2 1 197.326 1.500 10 0 ADAEMP C[N@H+](CCNC1=[NH+]CCCC1)C1CC1 86455499 572940272 /nfs/dbraw/zinc/94/02/72/572940272.db2.gz MJQCBBKAGFQSGU-UHFFFAOYSA-N 2 1 195.310 1.253 10 0 ADAEMP C[N@@H+](CCNC1=[NH+]CCCC1)C1CC1 86455499 572940274 /nfs/dbraw/zinc/94/02/74/572940274.db2.gz MJQCBBKAGFQSGU-UHFFFAOYSA-N 2 1 195.310 1.253 10 0 ADAEMP CC[NH+](CC)CCNC1=[NH+]CCCC1 86454433 572941479 /nfs/dbraw/zinc/94/14/79/572941479.db2.gz TWGOVPQWZKZIPP-UHFFFAOYSA-N 2 1 197.326 1.500 10 0 ADAEMP CCN(CC(C)C)CC1([NH3+])CCC1 88051728 572945821 /nfs/dbraw/zinc/94/58/21/572945821.db2.gz ZEDRYIFOFVJAJJ-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])C2(CCC2)C1 107404539 573576828 /nfs/dbraw/zinc/57/68/28/573576828.db2.gz SEEQOYMPEANQFS-VIFPVBQESA-N 2 1 168.284 1.067 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86530955 572950194 /nfs/dbraw/zinc/95/01/94/572950194.db2.gz XLODCGADCADEOO-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@](C)(F)C[NH3+])C1 257833006 573576859 /nfs/dbraw/zinc/57/68/59/573576859.db2.gz KGTBXLFNIIEYPT-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+](C)CCC1CC1 308403740 573585571 /nfs/dbraw/zinc/58/55/71/573585571.db2.gz KDPLVUYWNAZPFF-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+](C)CCC1CC1 308403740 573585576 /nfs/dbraw/zinc/58/55/76/573585576.db2.gz KDPLVUYWNAZPFF-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCCc1[nH+]ccn1CC(C)(C)C[NH3+] 86596001 572961027 /nfs/dbraw/zinc/96/10/27/572961027.db2.gz WZWPPISXIWCNRT-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP C[NH2+]CC(C)(C)Cn1cc[nH+]c1C 86595894 572961042 /nfs/dbraw/zinc/96/10/42/572961042.db2.gz ZQTQPDRVXFKNDQ-UHFFFAOYSA-N 2 1 181.283 1.437 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[C@@H]1CCC[N@@H+](C)C1 259115290 573585616 /nfs/dbraw/zinc/58/56/16/573585616.db2.gz BQQHYBMNVWKUOL-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H]1C 59187217 572966688 /nfs/dbraw/zinc/96/66/88/572966688.db2.gz OQJJGIURRYZUFL-JGVFFNPUSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@@H]1C 59187217 572966690 /nfs/dbraw/zinc/96/66/90/572966690.db2.gz OQJJGIURRYZUFL-JGVFFNPUSA-N 2 1 169.272 1.185 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)C1CCCC1 59184446 572966709 /nfs/dbraw/zinc/96/67/09/572966709.db2.gz DMWWMCZJUVLORO-ZETCQYMHSA-N 2 1 169.272 1.185 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)C1CCCC1 59184446 572966711 /nfs/dbraw/zinc/96/67/11/572966711.db2.gz DMWWMCZJUVLORO-ZETCQYMHSA-N 2 1 169.272 1.185 10 0 ADAEMP CCC[NH2+][C@H]1CC[C@H]([N@@H+](C)CC)C1 86618668 572966731 /nfs/dbraw/zinc/96/67/31/572966731.db2.gz ZSSXHRTYYCBRPZ-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH2+]C)C1 86619570 572966749 /nfs/dbraw/zinc/96/67/49/572966749.db2.gz MQQXGLZIQUSQTG-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@H]([NH2+]C)C1 86618677 572966784 /nfs/dbraw/zinc/96/67/84/572966784.db2.gz CNMQHOKLVKMPQQ-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@@H+](C)CC2CCC2)C1 86619287 572966789 /nfs/dbraw/zinc/96/67/89/572966789.db2.gz FRJPTBFMKOGUNT-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 86618703 572966800 /nfs/dbraw/zinc/96/68/00/572966800.db2.gz BAYSLGPFKQHYPZ-MWLCHTKSSA-N 2 1 182.311 1.611 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CC[C@H]([NH2+]C)C1 86618733 572966814 /nfs/dbraw/zinc/96/68/14/572966814.db2.gz SWRAONHKLMHYNS-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)CC)C1 86618669 572966846 /nfs/dbraw/zinc/96/68/46/572966846.db2.gz ZSSXHRTYYCBRPZ-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 59184525 572966871 /nfs/dbraw/zinc/96/68/71/572966871.db2.gz PVPVMYJHPWGUMR-YUMQZZPRSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H](C)C(N)=[NH2+] 59184525 572966873 /nfs/dbraw/zinc/96/68/73/572966873.db2.gz PVPVMYJHPWGUMR-YUMQZZPRSA-N 2 1 169.272 1.185 10 0 ADAEMP CCc1[nH]c([C@@H]2CCC[NH2+]C2)c(C)[nH+]1 257833090 573585698 /nfs/dbraw/zinc/58/56/98/573585698.db2.gz KAFYKTPFFBQGCG-SECBINFHSA-N 2 1 193.294 1.748 10 0 ADAEMP CCCc1[nH]c(C[C@H](C)C[NH3+])[nH+]c1C 258803251 573585704 /nfs/dbraw/zinc/58/57/04/573585704.db2.gz WXQANVMAAPIYSD-QMMMGPOBSA-N 2 1 195.310 1.808 10 0 ADAEMP CC(C)[C@@H](Cc1[nH+]ccn1C)[C@@H](C)[NH3+] 689607472 572970230 /nfs/dbraw/zinc/97/02/30/572970230.db2.gz LFJHNHGJDNKFTI-NXEZZACHSA-N 2 1 195.310 1.582 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 258227915 572998971 /nfs/dbraw/zinc/99/89/71/572998971.db2.gz PHWYMWALLIRGAF-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC/C=C(/C)[NH2+]CC[NH3+] 238189314 572977057 /nfs/dbraw/zinc/97/70/57/572977057.db2.gz BRALRHFYAASEEO-TWGQIWQCSA-N 2 1 156.273 1.629 10 0 ADAEMP CC(C)[C@@H]([NH3+])CCCc1[nH+]ccn1C 86753927 572977555 /nfs/dbraw/zinc/97/75/55/572977555.db2.gz AKRUOYNTJGKNMS-JTQLQIEISA-N 2 1 195.310 1.726 10 0 ADAEMP C[C@H]([NH3+])CCC[C@H]1CCC[N@@H+](C)C1 259116931 573587122 /nfs/dbraw/zinc/58/71/22/573587122.db2.gz LGIKZHNEKRXRHP-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[NH3+])[C@H]1C(C)C 82392975 573587154 /nfs/dbraw/zinc/58/71/54/573587154.db2.gz UHECITFFAGYLTQ-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@H]2C[C@H]21 308218695 572999068 /nfs/dbraw/zinc/99/90/68/572999068.db2.gz NGWREOSIFKFKHP-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C(C)(C)C1CC1 235680785 572999867 /nfs/dbraw/zinc/99/98/67/572999867.db2.gz BQEZRPYKYXTYLP-ONGXEEELSA-N 2 1 196.338 1.987 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@@H]1C[NH3+] 87923887 573000188 /nfs/dbraw/zinc/00/01/88/573000188.db2.gz NNURVMHPMVBEFV-RKDXNWHRSA-N 2 1 179.267 1.355 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923094 573000258 /nfs/dbraw/zinc/00/02/58/573000258.db2.gz CSQHULQPTGCSTM-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])CCC[C@@H]1CCC[N@@H+](C)C1 259116925 573587214 /nfs/dbraw/zinc/58/72/14/573587214.db2.gz LGIKZHNEKRXRHP-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CC[C@H]1[NH3+] 87935046 573014060 /nfs/dbraw/zinc/01/40/60/573014060.db2.gz NNTMCUNOCYMRIT-RKDXNWHRSA-N 2 1 179.267 1.183 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CC[C@H]1[NH3+] 87935045 573014565 /nfs/dbraw/zinc/01/45/65/573014565.db2.gz NNTMCUNOCYMRIT-DTWKUNHWSA-N 2 1 179.267 1.183 10 0 ADAEMP C[C@H]([NH3+])CCC[C@@H]1CCC[N@@H+](C)C1 259116934 573588244 /nfs/dbraw/zinc/58/82/44/573588244.db2.gz LGIKZHNEKRXRHP-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 82390059 573020012 /nfs/dbraw/zinc/02/00/12/573020012.db2.gz WZAVYFSYVJDYSU-GFCCVEGCSA-N 2 1 192.306 1.760 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 85438637 573024894 /nfs/dbraw/zinc/02/48/94/573024894.db2.gz UQLVAFUKQDGMHB-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CC[C@@H]1C[NH3+] 87942313 573024933 /nfs/dbraw/zinc/02/49/33/573024933.db2.gz FCZSUDQNAUGBSY-RKDXNWHRSA-N 2 1 179.267 1.355 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCCC[N@H+]1CCF 308227807 573024621 /nfs/dbraw/zinc/02/46/21/573024621.db2.gz RMYWPHFVWISSSL-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CCC[C@H]1C[NH3+] 87939644 573024622 /nfs/dbraw/zinc/02/46/22/573024622.db2.gz LKRVMSFUGSVQHS-UWVGGRQHSA-N 2 1 193.294 1.745 10 0 ADAEMP CC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 85438408 573024746 /nfs/dbraw/zinc/02/47/46/573024746.db2.gz XFNPKFKICDZHEC-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH+](CC)CC[C@@H]([NH3+])c1ccc[nH]1 308477621 573024764 /nfs/dbraw/zinc/02/47/64/573024764.db2.gz LPXWRHSVBXSCBC-SNVBAGLBSA-N 2 1 195.310 1.746 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CCC[C@H]1C[NH3+] 87939643 573024852 /nfs/dbraw/zinc/02/48/52/573024852.db2.gz LKRVMSFUGSVQHS-VHSXEESVSA-N 2 1 193.294 1.745 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CCCC[C@H]1C[NH3+] 87941401 573025156 /nfs/dbraw/zinc/02/51/56/573025156.db2.gz QEIMHLOUDSHSLK-UWVGGRQHSA-N 2 1 193.294 1.653 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 85438704 573026901 /nfs/dbraw/zinc/02/69/01/573026901.db2.gz QIGIIJCRAORMGH-LBPRGKRZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1c1[nH+]ccn1C 87954286 573027212 /nfs/dbraw/zinc/02/72/12/573027212.db2.gz TYAOGBJSWBEPBW-RKDXNWHRSA-N 2 1 179.267 1.133 10 0 ADAEMP NC[C@H]1CCC[C@@H]2CCCC[N@H+]21 258526590 573027283 /nfs/dbraw/zinc/02/72/83/573027283.db2.gz MXKBZXGPTOTGNC-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@H]1CCC[C@@H]2CCCC[N@@H+]21 258526590 573027289 /nfs/dbraw/zinc/02/72/89/573027289.db2.gz MXKBZXGPTOTGNC-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@H]1CCC[C@@H]2CCCC[N@H+]21 258526590 573027293 /nfs/dbraw/zinc/02/72/93/573027293.db2.gz MXKBZXGPTOTGNC-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1c1[nH+]ccn1C 87954284 573027380 /nfs/dbraw/zinc/02/73/80/573027380.db2.gz TYAOGBJSWBEPBW-BDAKNGLRSA-N 2 1 179.267 1.133 10 0 ADAEMP CC[C@](C)(C[NH3+])C[NH2+]Cc1ccco1 128476149 573027418 /nfs/dbraw/zinc/02/74/18/573027418.db2.gz PUKFVPLVFVSILA-LLVKDONJSA-N 2 1 196.294 1.744 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 85438635 573027453 /nfs/dbraw/zinc/02/74/53/573027453.db2.gz UQLVAFUKQDGMHB-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1c1[nH+]ccn1C 87954285 573027466 /nfs/dbraw/zinc/02/74/66/573027466.db2.gz TYAOGBJSWBEPBW-DTWKUNHWSA-N 2 1 179.267 1.133 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1c1[nH+]ccn1C 87954283 573027580 /nfs/dbraw/zinc/02/75/80/573027580.db2.gz TYAOGBJSWBEPBW-IUCAKERBSA-N 2 1 179.267 1.133 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 308477538 573028634 /nfs/dbraw/zinc/02/86/34/573028634.db2.gz FLFGRUBZHMWPIS-NNYUYHANSA-N 2 1 196.338 1.750 10 0 ADAEMP NC[C@@H]1CCC[C@@H]2CCCC[N@@H+]12 258526586 573028830 /nfs/dbraw/zinc/02/88/30/573028830.db2.gz MXKBZXGPTOTGNC-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@@H]2CCCC[N@H+]12 258526586 573028832 /nfs/dbraw/zinc/02/88/32/573028832.db2.gz MXKBZXGPTOTGNC-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@@H]2CCCC[N@@H+]12 258526586 573028837 /nfs/dbraw/zinc/02/88/37/573028837.db2.gz MXKBZXGPTOTGNC-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP NC[C@H]1CCC[C@H]2CCCC[N@@H+]12 258526583 573028884 /nfs/dbraw/zinc/02/88/84/573028884.db2.gz MXKBZXGPTOTGNC-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@H]1CCC[C@H]2CCCC[N@H+]12 258526583 573028890 /nfs/dbraw/zinc/02/88/90/573028890.db2.gz MXKBZXGPTOTGNC-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C[C@H]1CCC[C@H]2CCCC[N@@H+]12 258526583 573028891 /nfs/dbraw/zinc/02/88/91/573028891.db2.gz MXKBZXGPTOTGNC-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC[N@@H+](CC1CC1)C[C@H]1C[C@@H]1C[NH3+] 715119932 573030252 /nfs/dbraw/zinc/03/02/52/573030252.db2.gz NDLFENVPNZLUJG-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1Cc2cccc(C[NH3+])c2C1 82404764 573030402 /nfs/dbraw/zinc/03/04/02/573030402.db2.gz GUZHJSXEYLBILL-UHFFFAOYSA-N 2 1 162.236 1.091 10 0 ADAEMP Cc1[nH+]cn([C@H]2C[NH2+]CC[C@@H]2C)c1C 85442058 573030417 /nfs/dbraw/zinc/03/04/17/573030417.db2.gz CBWYXCMFYONCSE-KWQFWETISA-N 2 1 193.294 1.670 10 0 ADAEMP CCCC[C@]1([NH3+])C[NH+]2CCC1CC2 238256568 573030459 /nfs/dbraw/zinc/03/04/59/573030459.db2.gz FJQZKHPUSMJYDQ-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1C[NH2+]CC[C@@H]1C 85442032 573031648 /nfs/dbraw/zinc/03/16/48/573031648.db2.gz ZFPKADRCSBQYGN-VHSXEESVSA-N 2 1 193.294 1.616 10 0 ADAEMP CC1(C)C[NH2+][C@H](C[C@H]2CCCC[NH2+]2)O1 258472586 573040289 /nfs/dbraw/zinc/04/02/89/573040289.db2.gz KXXJWTBUIZWFQS-ZJUUUORDSA-N 2 1 198.310 1.243 10 0 ADAEMP C[C@@H]([NH3+])C1C[NH+](Cc2ccccc2)C1 107420541 573592083 /nfs/dbraw/zinc/59/20/83/573592083.db2.gz XTMFRXSYRDGYDJ-SNVBAGLBSA-N 2 1 190.290 1.466 10 0 ADAEMP CC[P@@H+](C)C1=CC[NH2+]CC1 238261922 573050854 /nfs/dbraw/zinc/05/08/54/573050854.db2.gz MQQVBSGQUYKNCH-UHFFFAOYSA-N 2 1 157.197 1.995 10 0 ADAEMP c1nc([C@H]2CCCCC[NH2+]2)c[nH]1 88039986 573051456 /nfs/dbraw/zinc/05/14/56/573051456.db2.gz YKAOLAIFQAQGQL-MRVPVSSYSA-N 2 1 165.240 1.614 10 0 ADAEMP c1nc([C@@H]2CCCCC[NH2+]2)c[nH]1 88039984 573051494 /nfs/dbraw/zinc/05/14/94/573051494.db2.gz YKAOLAIFQAQGQL-QMMMGPOBSA-N 2 1 165.240 1.614 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1([NH3+])CCC1 88051813 573058337 /nfs/dbraw/zinc/05/83/37/573058337.db2.gz QTKXRDOGWRQCFQ-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@H]1CC[C@@H](C)CN1CC1([NH3+])CCC1 88052280 573058426 /nfs/dbraw/zinc/05/84/26/573058426.db2.gz UKQPLSJNTCOQGE-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[C@H](C)N(CC2([NH3+])CCC2)C1 88052281 573054270 /nfs/dbraw/zinc/05/42/70/573054270.db2.gz UKQPLSJNTCOQGE-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCC[C@]2(CC[NH2+][C@H]2CF)C1 257938694 573057800 /nfs/dbraw/zinc/05/78/00/573057800.db2.gz URBRSXHOMNDPNQ-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@H]1CCN(CC2([NH3+])CCC2)[C@H](C)C1 88052097 573058011 /nfs/dbraw/zinc/05/80/11/573058011.db2.gz MYWCAVBQYQDJQG-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CC[NH2+][C@H]2CF)C1 257938696 573058082 /nfs/dbraw/zinc/05/80/82/573058082.db2.gz URBRSXHOMNDPNQ-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@H+]1CCC[C@H](C(=O)CC(C)(C)[NH3+])C1 259136341 573595115 /nfs/dbraw/zinc/59/51/15/573595115.db2.gz JWEQPZZKIXAIEF-VIFPVBQESA-N 2 1 198.310 1.025 10 0 ADAEMP CCC[C@H]1C[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 308492582 573062991 /nfs/dbraw/zinc/06/29/91/573062991.db2.gz RMDMPGOMUIXKQZ-QJPTWQEYSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)C(C)C 128543773 573063018 /nfs/dbraw/zinc/06/30/18/573063018.db2.gz PJUCEVUXOMQIOO-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[C@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 308492583 573063350 /nfs/dbraw/zinc/06/33/50/573063350.db2.gz RMDMPGOMUIXKQZ-TUAOUCFPSA-N 2 1 196.338 1.907 10 0 ADAEMP C[N@@H+]1CCC=C(C[NH2+]C2CCCC2)C1 257939341 573069159 /nfs/dbraw/zinc/06/91/59/573069159.db2.gz DLHYMPKVMTYQFI-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP C[N@H+]1CCC=C(C[NH2+]C2CCCC2)C1 257939341 573069162 /nfs/dbraw/zinc/06/91/62/573069162.db2.gz DLHYMPKVMTYQFI-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+]1CC[C@@H](F)C1 689901619 573088053 /nfs/dbraw/zinc/08/80/53/573088053.db2.gz AYOMRENKDINZJH-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+]1CC[C@@H](F)C1 689901619 573088057 /nfs/dbraw/zinc/08/80/57/573088057.db2.gz AYOMRENKDINZJH-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)CCOC 128587872 573088181 /nfs/dbraw/zinc/08/81/81/573088181.db2.gz VDNRNWCSODUOPZ-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@H+]1CCC[C@H]1CC(C)(C)C[NH3+] 259324679 573088190 /nfs/dbraw/zinc/08/81/90/573088190.db2.gz CYMBHQKZHVTERP-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@H]1CC[NH2+]C[C@@H]1[NH+](C)C 238275047 573091114 /nfs/dbraw/zinc/09/11/14/573091114.db2.gz KWWHUKDWXDLRIK-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@H+]1CC[C@](F)(C(C)(C)C[NH3+])C1 257943282 573091190 /nfs/dbraw/zinc/09/11/90/573091190.db2.gz VGIOBECWAILZNA-SECBINFHSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CC[C@@H]([NH3+])C1 223182561 573092554 /nfs/dbraw/zinc/09/25/54/573092554.db2.gz JCDMIDHZVPXZGH-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]2CC23CC[NH2+]CC3)C1 258231779 573092653 /nfs/dbraw/zinc/09/26/53/573092653.db2.gz ZMTSUSBIQFUURZ-MNOVXSKESA-N 2 1 194.322 1.328 10 0 ADAEMP C[C@@H](C[NH3+])Cc1[nH]cc(C(C)(C)C)[nH+]1 259035747 573092715 /nfs/dbraw/zinc/09/27/15/573092715.db2.gz GYHHWVVITRYEKI-MRVPVSSYSA-N 2 1 195.310 1.845 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@]1(C)C1CCCC1 107187086 573092756 /nfs/dbraw/zinc/09/27/56/573092756.db2.gz IZWWBYSNVHCJJL-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+](C)C[C@H](C[NH2+]C)C(C)C 259139586 573597909 /nfs/dbraw/zinc/59/79/09/573597909.db2.gz ZNOUOHSPLKHRNG-JTQLQIEISA-N 2 1 172.316 1.430 10 0 ADAEMP CC[C@H](C[NH3+])[C@H]([NH3+])c1ccccn1 259328338 573103091 /nfs/dbraw/zinc/10/30/91/573103091.db2.gz IYUBTAQXXXVMLL-SCZZXKLOSA-N 2 1 179.267 1.066 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](C)C1 131899807 573103283 /nfs/dbraw/zinc/10/32/83/573103283.db2.gz DSRQQBBDAIKCGO-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP [NH3+]CC1(C[N@@H+]2CC[C@@H](F)C2)CCC1 689917715 573121574 /nfs/dbraw/zinc/12/15/74/573121574.db2.gz YYWKHWPUSIGHJW-SECBINFHSA-N 2 1 186.274 1.159 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(CC[NH+]2CCCC2)O1 258479818 573119876 /nfs/dbraw/zinc/11/98/76/573119876.db2.gz LHKHPKYUZPFBIV-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP [NH3+]CC1(C[N@H+]2CC[C@@H](F)C2)CCC1 689917715 573121581 /nfs/dbraw/zinc/12/15/81/573121581.db2.gz YYWKHWPUSIGHJW-SECBINFHSA-N 2 1 186.274 1.159 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2C[N@@H+]1C 238280987 573122309 /nfs/dbraw/zinc/12/23/09/573122309.db2.gz KSRDAOGTYWFDSS-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2C[N@H+]1C 238280987 573122316 /nfs/dbraw/zinc/12/23/16/573122316.db2.gz KSRDAOGTYWFDSS-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@]1(C[NH2+][C@H]2CC2(C)C)CCC[NH2+]1 215405783 573597993 /nfs/dbraw/zinc/59/79/93/573597993.db2.gz YOUQUSNYTGNBLI-CMPLNLGQSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[C@@](C)([C@H](C)[NH2+]C)[NH+](C)C 85746165 573135089 /nfs/dbraw/zinc/13/50/89/573135089.db2.gz GWBOCNCUPDSOSC-IUCAKERBSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@@](C)([C@H]([NH2+]C)C(C)C)[NH+](C)C 85746360 573135110 /nfs/dbraw/zinc/13/51/10/573135110.db2.gz CVLBMJDZAFRTMB-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+][C@H](C)C(C)(C)[NH+](C)C 85737911 573135125 /nfs/dbraw/zinc/13/51/25/573135125.db2.gz SZEKOTOPPCRKDA-MRVPVSSYSA-N 2 1 158.289 1.325 10 0 ADAEMP CCC[NH2+][C@@H](C)C(C)(C)[NH+](C)C 85738236 573135176 /nfs/dbraw/zinc/13/51/76/573135176.db2.gz PWAVYGWUDQOOIP-VIFPVBQESA-N 2 1 172.316 1.715 10 0 ADAEMP CC1CCC([C@@H]([NH3+])C[NH+](C)C)CC1 85798521 573150985 /nfs/dbraw/zinc/15/09/85/573150985.db2.gz FYPHIYJWKGEIGE-ILDUYXDCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@@H](C)C1([NH+](C)C)CCCC1 85752000 573137535 /nfs/dbraw/zinc/13/75/35/573137535.db2.gz LLOUGXOCNUBPIK-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP Nc1cc[nH+]cc1[C@@H]1CCC[NH2+]1 104660122 573137545 /nfs/dbraw/zinc/13/75/45/573137545.db2.gz LOZJLVACWVBBIR-VIFPVBQESA-N 2 1 163.224 1.088 10 0 ADAEMP C[N@@H+]1CC[C@@H](C2CCC2)[C@H]1C[NH3+] 258550662 573151041 /nfs/dbraw/zinc/15/10/41/573151041.db2.gz PIANTZSQXYYTFC-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)=C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 642850430 573137721 /nfs/dbraw/zinc/13/77/21/573137721.db2.gz FBQGAQVLPPCDEY-GHMZBOCLSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@H](CC[NH3+])n1c[nH+]cc1C1CC1 308280673 573137910 /nfs/dbraw/zinc/13/79/10/573137910.db2.gz XQKJMWOTUQWSGA-MRVPVSSYSA-N 2 1 179.267 1.670 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCC2)[C@H]1C[NH3+] 258550662 573151048 /nfs/dbraw/zinc/15/10/48/573151048.db2.gz PIANTZSQXYYTFC-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C 308504069 573151062 /nfs/dbraw/zinc/15/10/62/573151062.db2.gz CNGRGJFDQJGNQB-UTUOFQBUSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C2CCCC2)C1 82645511 573146908 /nfs/dbraw/zinc/14/69/08/573146908.db2.gz MWYQJXYVPDQRNH-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)[NH+](C)C 308507983 573146954 /nfs/dbraw/zinc/14/69/54/573146954.db2.gz JNIGTGXYKNHXLR-SRVKXCTJSA-N 2 1 198.354 1.818 10 0 ADAEMP C[C@H]([NH3+])Cc1[nH+]ccc2[nH]ccc12 89220528 573146970 /nfs/dbraw/zinc/14/69/70/573146970.db2.gz FCXITERIBVFEIP-ZETCQYMHSA-N 2 1 175.235 1.453 10 0 ADAEMP [NH3+][C@H](c1cccs1)[C@H]1CCC[NH2+]C1 259346001 573147468 /nfs/dbraw/zinc/14/74/68/573147468.db2.gz LULHSEDWHOTEGF-WPRPVWTQSA-N 2 1 196.319 1.748 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C2CCCC2)C1 82645509 573147469 /nfs/dbraw/zinc/14/74/69/573147469.db2.gz MWYQJXYVPDQRNH-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 308504067 573151088 /nfs/dbraw/zinc/15/10/88/573151088.db2.gz CNGRGJFDQJGNQB-GRYCIOLGSA-N 2 1 198.354 1.948 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]CC1 82666649 573150958 /nfs/dbraw/zinc/15/09/58/573150958.db2.gz ICMNYEPURYCZRG-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CCCc1[nH+]c(C2CC([NH3+])C2)[nH]c1C 258545263 573154962 /nfs/dbraw/zinc/15/49/62/573154962.db2.gz KDOYHAWVVSDMQL-UHFFFAOYSA-N 2 1 193.294 1.875 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@H](C)C[NH3+])C1 259348828 573161353 /nfs/dbraw/zinc/16/13/53/573161353.db2.gz FDSWAJBXJVFEGJ-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1CC1([NH3+])CC1 257958820 573161471 /nfs/dbraw/zinc/16/14/71/573161471.db2.gz JDOMEXLTBDHUNM-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP Nc1cc[nH+]cc1[C@H]([NH3+])CC1CC1 82707524 573161588 /nfs/dbraw/zinc/16/15/88/573161588.db2.gz KGXHZKSUTFOCCS-SNVBAGLBSA-N 2 1 177.251 1.464 10 0 ADAEMP C[N@H+]1CCC[C@H]2CCC[NH2+]C[C@@H]21 238305669 573179544 /nfs/dbraw/zinc/17/95/44/573179544.db2.gz TWKBIFFPUBRNHU-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]CC[C@@H]1[NH2+]CCc2ccccc21 258238547 573196045 /nfs/dbraw/zinc/19/60/45/573196045.db2.gz SGTQLOSKOOLQIO-LBPRGKRZSA-N 2 1 190.290 1.483 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[NH3+])C1 257760063 573211747 /nfs/dbraw/zinc/21/17/47/573211747.db2.gz UCHAYKHSRSGHQU-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CCC[C@H]1c1oncc1C[NH3+] 259373025 573211878 /nfs/dbraw/zinc/21/18/78/573211878.db2.gz VOPGKCNVGKNMCJ-VIFPVBQESA-N 2 1 195.266 1.290 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1C[C@H](C)C[C@H]1C 123845776 573212031 /nfs/dbraw/zinc/21/20/31/573212031.db2.gz CWQFHEZVYBBCNS-KXUCPTDWSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@]2(C)[NH2+]CCO2)C1 258252346 573212059 /nfs/dbraw/zinc/21/20/59/573212059.db2.gz AQBINTFXVVNOKU-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1C[C@H](C)C[C@@H]1C 123845272 573212095 /nfs/dbraw/zinc/21/20/95/573212095.db2.gz CWQFHEZVYBBCNS-UTLUCORTSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[NH3+])C1 257760062 573212339 /nfs/dbraw/zinc/21/23/39/573212339.db2.gz UCHAYKHSRSGHQU-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H](CCC[NH3+])[C@H](F)C1 257973256 573215611 /nfs/dbraw/zinc/21/56/11/573215611.db2.gz YWOFUPKIRGZMDD-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[C@H](C[NH2+]C)C[C@H]1CCC[N@@H+](C)C1 259379225 573214956 /nfs/dbraw/zinc/21/49/56/573214956.db2.gz NCNZSBIFEYMDAS-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@@H]1[NH+](C)C 82829582 573215082 /nfs/dbraw/zinc/21/50/82/573215082.db2.gz LOIFQIRCPUDZJQ-KXNHARMFSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[C@H](C[NH2+]C)C[C@@H]1CCC[N@@H+](C)C1 259379227 573215267 /nfs/dbraw/zinc/21/52/67/573215267.db2.gz NCNZSBIFEYMDAS-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[C@@H]1CC[N@H+](C)[C@@H]1C[NH3+] 258588684 573217478 /nfs/dbraw/zinc/21/74/78/573217478.db2.gz SXJRKQVGGWSTIK-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C)[C@@H]1C[NH3+] 258588684 573217482 /nfs/dbraw/zinc/21/74/82/573217482.db2.gz SXJRKQVGGWSTIK-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CCC[C@@H](C(C)(C)CC[NH3+])C1 259378489 573217489 /nfs/dbraw/zinc/21/74/89/573217489.db2.gz VQUQODJTOVOSDN-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[C@H]1CCC[N@@H+](C)C1 259379229 573217505 /nfs/dbraw/zinc/21/75/05/573217505.db2.gz NCNZSBIFEYMDAS-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH+](C)[C@H](c1ccc[nH]1)C1(C[NH3+])CC1 259375832 573217018 /nfs/dbraw/zinc/21/70/18/573217018.db2.gz GLGOJXBDGJWKBO-SNVBAGLBSA-N 2 1 193.294 1.356 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CC[C@H]1C 82838462 573223278 /nfs/dbraw/zinc/22/32/78/573223278.db2.gz OTSJBYNORMRUEK-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)CC[C@H]1C 82838462 573223280 /nfs/dbraw/zinc/22/32/80/573223280.db2.gz OTSJBYNORMRUEK-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]CC(C)(C)CC 393619766 573222473 /nfs/dbraw/zinc/22/24/73/573222473.db2.gz POCOFGPWIOAKBP-VIFPVBQESA-N 2 1 172.316 1.750 10 0 ADAEMP CC[N@H+]1CC[C@@H](C2CC[NH2+]CC2)C1 259379367 573222692 /nfs/dbraw/zinc/22/26/92/573222692.db2.gz VZBNUWBSOLKMBK-LLVKDONJSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])CC12CCCCC2 238309530 573222760 /nfs/dbraw/zinc/22/27/60/573222760.db2.gz RBEYPFDOISSKMN-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@H]2[NH2+][C@H](C)CO2)C1 258599987 573229202 /nfs/dbraw/zinc/22/92/02/573229202.db2.gz QPEVYHNCUUPAJO-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H]2[NH2+][C@H](C)CO2)C1 258599987 573229209 /nfs/dbraw/zinc/22/92/09/573229209.db2.gz QPEVYHNCUUPAJO-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)[NH2+]C 86009114 573228608 /nfs/dbraw/zinc/22/86/08/573228608.db2.gz RFLIIHFCMZJJBT-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(C)(C)[C@@H](C)[NH3+])C[C@@H]1C 86012259 573228794 /nfs/dbraw/zinc/22/87/94/573228794.db2.gz GEBZITFYGQUHHW-OUAUKWLOSA-N 2 1 198.354 1.948 10 0 ADAEMP C[NH2+]C[C@@H](C[N@@H+](C)C1CCC1)C(C)C 259040062 573228982 /nfs/dbraw/zinc/22/89/82/573228982.db2.gz RDLGTCIKAUERNL-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 82855282 573236459 /nfs/dbraw/zinc/23/64/59/573236459.db2.gz SZLWIJJQVIDWIL-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)O1 258243232 573236719 /nfs/dbraw/zinc/23/67/19/573236719.db2.gz AHHCNMXEIHHHHE-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)O1 258243232 573236721 /nfs/dbraw/zinc/23/67/21/573236721.db2.gz AHHCNMXEIHHHHE-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]([NH3+])c1cnc([C@@H]2CC[N@@H+](C)C2)o1 258241960 573236795 /nfs/dbraw/zinc/23/67/95/573236795.db2.gz WIYYLJAHHYZIFY-HTQZYQBOSA-N 2 1 195.266 1.113 10 0 ADAEMP C[N@H+]1CC[C@H](CC2CC([NH3+])C2)C1 259044063 573244497 /nfs/dbraw/zinc/24/44/97/573244497.db2.gz DAUPSSDKJZTSOK-XNWIYYODSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+][C@H](C)CCC1=CCC[N@@H+](C)C1 257983765 573250299 /nfs/dbraw/zinc/25/02/99/573250299.db2.gz HIYRDCLGVSWCMW-SNVBAGLBSA-N 2 1 182.311 1.636 10 0 ADAEMP COC(C)(C)[C@H]([NH3+])c1c[nH+]ccc1N 86073001 573250301 /nfs/dbraw/zinc/25/03/01/573250301.db2.gz DQKDJWLAINNZIV-SECBINFHSA-N 2 1 195.266 1.089 10 0 ADAEMP C[NH2+][C@@H](C)CCC1=CCC[N@@H+](C)C1 257983763 573250404 /nfs/dbraw/zinc/25/04/04/573250404.db2.gz HIYRDCLGVSWCMW-JTQLQIEISA-N 2 1 182.311 1.636 10 0 ADAEMP C[N@H+]1CCC[C@@H](CCCC[NH3+])C1 259052137 573250503 /nfs/dbraw/zinc/25/05/03/573250503.db2.gz FCLRLTIJKSPDQC-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C1CC1 129209154 573258622 /nfs/dbraw/zinc/25/86/22/573258622.db2.gz JREXRCPQQULEJT-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP Cn1cc[nH+]c1CCC1CC[NH2+]CC1 86753195 573600685 /nfs/dbraw/zinc/60/06/85/573600685.db2.gz LFJBVOOAIMAWKC-UHFFFAOYSA-N 2 1 193.294 1.352 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@]2(C)[NH2+]CC(C)(C)O2)C1 258260311 573258274 /nfs/dbraw/zinc/25/82/74/573258274.db2.gz AVFDFJFKAMFLTK-MWLCHTKSSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@H](CC2([NH3+])CCC2)C1 257981514 573258438 /nfs/dbraw/zinc/25/84/38/573258438.db2.gz KWCALUGPOCUMPJ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 716650944 573258748 /nfs/dbraw/zinc/25/87/48/573258748.db2.gz LYONTJDTAWTKEG-WTPMCQDGSA-N 2 1 194.322 1.312 10 0 ADAEMP CC[N@H+]1CCC[C@@H](CC2([NH3+])CCC2)C1 257981517 573258783 /nfs/dbraw/zinc/25/87/83/573258783.db2.gz KWCALUGPOCUMPJ-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@]2(C)[NH2+]CC(C)(C)O2)C1 258260319 573259062 /nfs/dbraw/zinc/25/90/62/573259062.db2.gz AVFDFJFKAMFLTK-ONGXEEELSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]([C@@H]2[NH2+]C[C@@H](C)O2)C1 258613961 573259180 /nfs/dbraw/zinc/25/91/80/573259180.db2.gz QYLJIVAIQNKAIF-OUAUKWLOSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H]2[NH2+]C[C@@H](C)O2)C1 258613961 573259185 /nfs/dbraw/zinc/25/91/85/573259185.db2.gz QYLJIVAIQNKAIF-OUAUKWLOSA-N 2 1 198.310 1.051 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1C=C[C@@H]([NH3+])C1 86094371 573263135 /nfs/dbraw/zinc/26/31/35/573263135.db2.gz NJJPUDSUWMAMJG-WDEREUQCSA-N 2 1 182.311 1.622 10 0 ADAEMP CCCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 50888999 573262710 /nfs/dbraw/zinc/26/27/10/573262710.db2.gz MLQNCQUPYZSLBV-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 50888999 573262714 /nfs/dbraw/zinc/26/27/14/573262714.db2.gz MLQNCQUPYZSLBV-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1C=C[C@@H]([NH3+])C1 86094625 573262806 /nfs/dbraw/zinc/26/28/06/573262806.db2.gz SFIBHYIGKFYZAK-OUAUKWLOSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 716650926 573263022 /nfs/dbraw/zinc/26/30/22/573263022.db2.gz LYONTJDTAWTKEG-LDMBFOFVSA-N 2 1 194.322 1.312 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C/C=C\C[NH3+] 258277941 573289706 /nfs/dbraw/zinc/28/97/06/573289706.db2.gz SISRKTBPUWYLCY-UMBAGQNISA-N 2 1 168.284 1.376 10 0 ADAEMP [NH3+]C[C@@]1(c2ccc(F)cc2)CCC[NH2+]1 258280835 573289775 /nfs/dbraw/zinc/28/97/75/573289775.db2.gz RLZIHBCYGRMDJK-LLVKDONJSA-N 2 1 194.253 1.363 10 0 ADAEMP CC(C)Cc1[nH]c2c([nH+]1)CC[C@@H]([NH3+])C2 74247472 573289795 /nfs/dbraw/zinc/28/97/95/573289795.db2.gz ACTJKBPGIMJWPT-MRVPVSSYSA-N 2 1 193.294 1.424 10 0 ADAEMP C[C@@H]1C[C@H]([C@H]2CCC[N@@H+](C)C2)C[NH2+]1 258279971 573289940 /nfs/dbraw/zinc/28/99/40/573289940.db2.gz SLOXNHDZVMHIHZ-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CC1([NH3+])CCC1 257994785 573290026 /nfs/dbraw/zinc/29/00/26/573290026.db2.gz LVRJJHDZYWHYTF-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1(C)C 259405021 573290150 /nfs/dbraw/zinc/29/01/50/573290150.db2.gz MMYPJSBLCKBSDV-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C)NCC[C@@H]1C 82942507 573312180 /nfs/dbraw/zinc/31/21/80/573312180.db2.gz IMZWIPKSORAYNU-ZJUUUORDSA-N 2 1 170.300 1.467 10 0 ADAEMP CC(C)N1C[C@@H](C)[NH2+]CC[C@@H]1C 82942507 573312184 /nfs/dbraw/zinc/31/21/84/573312184.db2.gz IMZWIPKSORAYNU-ZJUUUORDSA-N 2 1 170.300 1.467 10 0 ADAEMP Cc1[nH+]cn2c1C[C@@H](CC[NH3+])CC2 74304418 573312229 /nfs/dbraw/zinc/31/22/29/573312229.db2.gz NIEWFMARMRSTLY-VIFPVBQESA-N 2 1 179.267 1.103 10 0 ADAEMP C[N@H+]1CCC[NH2+]C2(CCCCC2)C1 82941428 573312292 /nfs/dbraw/zinc/31/22/92/573312292.db2.gz ZHMZVPDBZXPYTN-UHFFFAOYSA-N 2 1 182.311 1.614 10 0 ADAEMP CCCC[N@H+]1C[C@H](C)NCC[C@@H]1C 82942416 573312324 /nfs/dbraw/zinc/31/23/24/573312324.db2.gz YVXUXOCVISJLGB-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]([NH3+])Cn1c[nH+]c2c1CCCC2 74304585 573312356 /nfs/dbraw/zinc/31/23/56/573312356.db2.gz QFETYYYLJNVDGG-QMMMGPOBSA-N 2 1 179.267 1.109 10 0 ADAEMP CCCN1CCC[NH2+][C@@](C)(CC)C1 82942132 573312366 /nfs/dbraw/zinc/31/23/66/573312366.db2.gz WFNYNVARGIDPHX-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H]([NH3+])C1 74304544 573312419 /nfs/dbraw/zinc/31/24/19/573312419.db2.gz VKCRYNCGGNJPLA-NXEZZACHSA-N 2 1 179.267 1.634 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC2)[C@H](C)CCN1 82942461 573312464 /nfs/dbraw/zinc/31/24/64/573312464.db2.gz UASGOTFTGGPNHP-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CSCC[N@H+](CC[NH3+])CC(C)C 129343906 573311843 /nfs/dbraw/zinc/31/18/43/573311843.db2.gz ZJRIIUYSABTFPK-UHFFFAOYSA-N 2 1 190.356 1.266 10 0 ADAEMP CSCC[N@@H+](CC[NH3+])CC(C)C 129343906 573311850 /nfs/dbraw/zinc/31/18/50/573311850.db2.gz ZJRIIUYSABTFPK-UHFFFAOYSA-N 2 1 190.356 1.266 10 0 ADAEMP CC[N@H+]1C[C@@H](C)NCC[C@@H]1C 82942448 573311852 /nfs/dbraw/zinc/31/18/52/573311852.db2.gz HVLNILYYCXKTLX-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CCN1C[C@@H](C)[NH2+]CC[C@@H]1C 82942448 573311860 /nfs/dbraw/zinc/31/18/60/573311860.db2.gz HVLNILYYCXKTLX-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@H]([NH3+])C1 74304541 573311921 /nfs/dbraw/zinc/31/19/21/573311921.db2.gz VKCRYNCGGNJPLA-VHSXEESVSA-N 2 1 179.267 1.634 10 0 ADAEMP CC[C@H]1C[N@@H+](C(C)C)[C@H](C)CCN1 82943354 573311948 /nfs/dbraw/zinc/31/19/48/573311948.db2.gz GQJCSFUVAPUUQP-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]1CN(C(C)C)[C@H](C)CC[NH2+]1 82943354 573311953 /nfs/dbraw/zinc/31/19/53/573311953.db2.gz GQJCSFUVAPUUQP-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[N@H+]1C[C@H](C2CC2)NCC[C@@H]1C 82943524 573311974 /nfs/dbraw/zinc/31/19/74/573311974.db2.gz LMPCKCYSLZMYBA-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCN1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943524 573311977 /nfs/dbraw/zinc/31/19/77/573311977.db2.gz LMPCKCYSLZMYBA-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCN1C[C@@H](C(C)C)[NH2+]CC[C@@H]1C 82942242 573312028 /nfs/dbraw/zinc/31/20/28/573312028.db2.gz UFRUDSKBKSCUJH-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CCN1C[C@H](C(C)C)[NH2+]CC[C@@H]1C 82942240 573312078 /nfs/dbraw/zinc/31/20/78/573312078.db2.gz UFRUDSKBKSCUJH-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]1C[N@@H+](CC2CC2)[C@H](C)CCN1 82943344 573312774 /nfs/dbraw/zinc/31/27/74/573312774.db2.gz RHZAFDHNIDFJRJ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@]1(C)CCC[NH2+]1 258627608 573312821 /nfs/dbraw/zinc/31/28/21/573312821.db2.gz XJGBCUOSPAKMIJ-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 82941689 573312874 /nfs/dbraw/zinc/31/28/74/573312874.db2.gz VGMCUHHBPFHILL-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)C1CC1 132504758 573312885 /nfs/dbraw/zinc/31/28/85/573312885.db2.gz GDUTVCCDYBEFNJ-MWLCHTKSSA-N 2 1 182.311 1.374 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C)NCC[C@@H]1C 82942510 573312931 /nfs/dbraw/zinc/31/29/31/573312931.db2.gz IMZWIPKSORAYNU-UWVGGRQHSA-N 2 1 170.300 1.467 10 0 ADAEMP CC(C)N1C[C@H](C)[NH2+]CC[C@@H]1C 82942510 573312934 /nfs/dbraw/zinc/31/29/34/573312934.db2.gz IMZWIPKSORAYNU-UWVGGRQHSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+]1CCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258255352 573312978 /nfs/dbraw/zinc/31/29/78/573312978.db2.gz QWENZZNXGMDBJU-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCNCC[N@H+]1CC1CCCC1 82942842 573313033 /nfs/dbraw/zinc/31/30/33/573313033.db2.gz KEOXVENZGBBTGU-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1[nH+]cn2c1C[C@H](CC[NH3+])CC2 74304419 573313066 /nfs/dbraw/zinc/31/30/66/573313066.db2.gz NIEWFMARMRSTLY-SECBINFHSA-N 2 1 179.267 1.103 10 0 ADAEMP [NH3+]CC[C@@H]1CCCc2c[nH+]cn21 74338662 573322541 /nfs/dbraw/zinc/32/25/41/573322541.db2.gz TYTAWQXBXBASAR-QMMMGPOBSA-N 2 1 165.240 1.109 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[NH3+])C1(C)C 259415184 573322553 /nfs/dbraw/zinc/32/25/53/573322553.db2.gz NBGXWEJHADHJSL-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H]1C[N@@H+](CC)CCC[NH2+]1 82953738 573322751 /nfs/dbraw/zinc/32/27/51/573322751.db2.gz TXFXIMBQKAGATJ-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CC[C@H]([NH3+])C1 74338844 573322982 /nfs/dbraw/zinc/32/29/82/573322982.db2.gz QYQAQNGKLDLJAR-DTWKUNHWSA-N 2 1 165.240 1.244 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@H]2CC[C@H](C)C2)CCC1 308548729 573323198 /nfs/dbraw/zinc/32/31/98/573323198.db2.gz WTGHRYOUBWAVIG-QWRGUYRKSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@@]2(C)[NH2+]C[C@H](C)O2)C1 258492181 573323218 /nfs/dbraw/zinc/32/32/18/573323218.db2.gz LSBPEBSISAVQTH-DCAQKATOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@]2(C)[NH2+]C[C@H](C)O2)C1 258492181 573323220 /nfs/dbraw/zinc/32/32/20/573323220.db2.gz LSBPEBSISAVQTH-DCAQKATOSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H](C[NH2+]C(C)(C)C[NH3+])C1CC1 132617547 573323238 /nfs/dbraw/zinc/32/32/38/573323238.db2.gz SARLJGUOTVXBHM-MRVPVSSYSA-N 2 1 170.300 1.359 10 0 ADAEMP C1CC[N@@H+]2C[NH2+]CCC[C@H]2C1 117320974 573333416 /nfs/dbraw/zinc/33/34/16/573333416.db2.gz ZLPOAZBULNCERK-SECBINFHSA-N 2 1 154.257 1.182 10 0 ADAEMP C1CC[N@H+]2C[NH2+]CCC[C@H]2C1 117320974 573333423 /nfs/dbraw/zinc/33/34/23/573333423.db2.gz ZLPOAZBULNCERK-SECBINFHSA-N 2 1 154.257 1.182 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@@H](C)C1CC1 132650481 573333518 /nfs/dbraw/zinc/33/35/18/573333518.db2.gz NFGHKOFUVZPJJZ-ZYHUDNBSSA-N 2 1 198.354 1.996 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C/C=C\CC[NH3+] 258004944 573334143 /nfs/dbraw/zinc/33/41/43/573334143.db2.gz ASCFKLSCAZVLMX-QUCGXOGASA-N 2 1 182.311 1.766 10 0 ADAEMP C1CC[N@@H+]2C[NH2+]CCC[C@@H]2C1 117320972 573333810 /nfs/dbraw/zinc/33/38/10/573333810.db2.gz ZLPOAZBULNCERK-VIFPVBQESA-N 2 1 154.257 1.182 10 0 ADAEMP C1CC[N@H+]2C[NH2+]CCC[C@@H]2C1 117320972 573333813 /nfs/dbraw/zinc/33/38/13/573333813.db2.gz ZLPOAZBULNCERK-VIFPVBQESA-N 2 1 154.257 1.182 10 0 ADAEMP CCCC(C[NH3+])(CCC)[NH2+]C 50269744 573337118 /nfs/dbraw/zinc/33/71/18/573337118.db2.gz AHMOSFJJWFEALF-UHFFFAOYSA-N 2 1 158.289 1.504 10 0 ADAEMP CCCCCC[C@H](C[NH3+])[NH2+]C 50269770 573336707 /nfs/dbraw/zinc/33/67/07/573336707.db2.gz ZGNPVZDGADWQRD-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CCc1c[nH+]cn1[C@@H](C[NH3+])CC(C)C 132877355 573356739 /nfs/dbraw/zinc/35/67/39/573356739.db2.gz QCOHJAUOTPUAJR-LLVKDONJSA-N 2 1 195.310 1.991 10 0 ADAEMP CCc1c[nH+]cn1CC[C@H](C)[NH3+] 132873555 573356131 /nfs/dbraw/zinc/35/61/31/573356131.db2.gz ZGMLKSLBYFATDS-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP CCc1c[nH+]cn1C[C@H](C)C[NH2+]C 132884536 573356156 /nfs/dbraw/zinc/35/61/56/573356156.db2.gz DCXRFIMZRYXSPF-SECBINFHSA-N 2 1 181.283 1.301 10 0 ADAEMP CCC[NH2+]CCn1c[nH+]cc1CC 132871127 573356196 /nfs/dbraw/zinc/35/61/96/573356196.db2.gz HZDYTPNXBSVRJY-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@H+]1C1CCCC1 86303250 573356228 /nfs/dbraw/zinc/35/62/28/573356228.db2.gz WMERDADMYZMIBO-NHCYSSNCSA-N 2 1 196.338 1.987 10 0 ADAEMP CCc1c[nH+]cn1CC([NH3+])(CC)CC 132884950 573356313 /nfs/dbraw/zinc/35/63/13/573356313.db2.gz NWXUESFNYUXHFK-UHFFFAOYSA-N 2 1 195.310 1.963 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[C@@H]1c1[nH+]ccn1C 83003294 573356322 /nfs/dbraw/zinc/35/63/22/573356322.db2.gz YFCJFZSYPCDGSX-CIUDSAMLSA-N 2 1 179.267 1.261 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)[C@@H]1C 86302921 573356358 /nfs/dbraw/zinc/35/63/58/573356358.db2.gz SJXNJRFQPIPACH-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303126 573356457 /nfs/dbraw/zinc/35/64/57/573356457.db2.gz ZWPSJIBVPBDKPU-VLEAKVRGSA-N 2 1 184.327 1.843 10 0 ADAEMP C[N@H+]1CCC[C@](C)(C[NH3+])CC1 107118389 573356510 /nfs/dbraw/zinc/35/65/10/573356510.db2.gz ACNFYZTVQUZDQQ-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](C2CC2)[C@@H]1C 86303195 573356557 /nfs/dbraw/zinc/35/65/57/573356557.db2.gz VMPFADNXQSRGED-XKSSXDPKSA-N 2 1 168.284 1.206 10 0 ADAEMP CCc1c[nH+]cn1CC[C@@H](C)[NH3+] 132873351 573356562 /nfs/dbraw/zinc/35/65/62/573356562.db2.gz ZGMLKSLBYFATDS-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C/C=C\C[NH3+])C1 258296349 573361360 /nfs/dbraw/zinc/36/13/60/573361360.db2.gz UIMJYQYZINUJGP-DLRQAJBASA-N 2 1 182.311 1.623 10 0 ADAEMP CC(C)c1[nH+]cc(CC[NH3+])n1C 107121430 573361035 /nfs/dbraw/zinc/36/10/35/573361035.db2.gz ZIVBHWLHSPLQGT-UHFFFAOYSA-N 2 1 167.256 1.045 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+](C2CC2)C1 107121757 573361202 /nfs/dbraw/zinc/36/12/02/573361202.db2.gz OABYFRYYNYRHSP-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+]1CC[C@H]1C=CCC1 308369006 573363094 /nfs/dbraw/zinc/36/30/94/573363094.db2.gz NWVKNBCVQWGLRR-NWDGAFQWSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@H+]1CC[C@H]1C=CCC1 308369006 573363098 /nfs/dbraw/zinc/36/30/98/573363098.db2.gz NWVKNBCVQWGLRR-NWDGAFQWSA-N 2 1 194.322 1.766 10 0 ADAEMP CC[N@@H+]1CC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258314693 573363291 /nfs/dbraw/zinc/36/32/91/573363291.db2.gz DAOPXVNTHRFPNV-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258314693 573363297 /nfs/dbraw/zinc/36/32/97/573363297.db2.gz DAOPXVNTHRFPNV-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH3+] 86313006 573363340 /nfs/dbraw/zinc/36/33/40/573363340.db2.gz GWNFZAQJGRSGJT-SFYZADRCSA-N 2 1 167.256 1.347 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@H+]1C1CCC1 86304655 573363500 /nfs/dbraw/zinc/36/35/00/573363500.db2.gz ULDZYGRMCXTYAJ-QXEWZRGKSA-N 2 1 182.311 1.597 10 0 ADAEMP C1C[NH2+]C[C@]2(C1)CC[N@H+](CC1CC1)C2 211343870 573363528 /nfs/dbraw/zinc/36/35/28/573363528.db2.gz DLBQCDMNJZBHCK-LBPRGKRZSA-N 2 1 194.322 1.472 10 0 ADAEMP C[N@@H+]1C[C@@H](C2CCC2)C[C@@H]1C[NH3+] 258639828 573368482 /nfs/dbraw/zinc/36/84/82/573368482.db2.gz YQZGWECMNMVUPI-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@@H](C2CCC2)C[C@@H]1C[NH3+] 258639828 573368488 /nfs/dbraw/zinc/36/84/88/573368488.db2.gz YQZGWECMNMVUPI-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@H]2C[NH2+]C(C)(C)C2)C1 258323964 573368541 /nfs/dbraw/zinc/36/85/41/573368541.db2.gz WKUBYWFMIVXNSP-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCC2)C[C@H]1C[NH3+] 258639830 573368568 /nfs/dbraw/zinc/36/85/68/573368568.db2.gz YQZGWECMNMVUPI-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@H](C2CCC2)C[C@H]1C[NH3+] 258639830 573368574 /nfs/dbraw/zinc/36/85/74/573368574.db2.gz YQZGWECMNMVUPI-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@H]2C[NH2+]C(C)(C)C2)C1 258323972 573368660 /nfs/dbraw/zinc/36/86/60/573368660.db2.gz WKUBYWFMIVXNSP-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](CC(F)F)[NH2+]C[C@@H]1CCC[NH2+]1 308366760 573369838 /nfs/dbraw/zinc/36/98/38/573369838.db2.gz IHCUZDYNHQDOPX-SFYZADRCSA-N 2 1 192.253 1.372 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](CC)C1 133106463 573369893 /nfs/dbraw/zinc/36/98/93/573369893.db2.gz XLAUFFMWOLSBBP-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1CCCCF 308563610 573369915 /nfs/dbraw/zinc/36/99/15/573369915.db2.gz GOTAGTNWHIHQHN-VIFPVBQESA-N 2 1 199.273 1.695 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCC2)C[C@@H]1C[NH3+] 258639821 573369350 /nfs/dbraw/zinc/36/93/50/573369350.db2.gz YQZGWECMNMVUPI-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@H](C2CCC2)C[C@@H]1C[NH3+] 258639821 573369354 /nfs/dbraw/zinc/36/93/54/573369354.db2.gz YQZGWECMNMVUPI-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H](CC(F)F)[NH2+]C[C@H]1CCC[NH2+]1 308366758 573369689 /nfs/dbraw/zinc/36/96/89/573369689.db2.gz IHCUZDYNHQDOPX-HTQZYQBOSA-N 2 1 192.253 1.372 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1CCCCF 308563609 573369721 /nfs/dbraw/zinc/36/97/21/573369721.db2.gz GOTAGTNWHIHQHN-SECBINFHSA-N 2 1 199.273 1.695 10 0 ADAEMP C[N@H+]1CC[C@@H](C(C)(C)CC[NH3+])C1 259093627 573380638 /nfs/dbraw/zinc/38/06/38/573380638.db2.gz DNXSHWJKWQICBT-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@H+]1CC[C@H](CCCC(C)(C)[NH3+])C1 259093560 573381001 /nfs/dbraw/zinc/38/10/01/573381001.db2.gz JMCXEYOJIFPKHT-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CNC1(C[NH2+]CCC(F)F)CCC1 308377890 573381091 /nfs/dbraw/zinc/38/10/91/573381091.db2.gz OSDPKOCXRHMZIU-UHFFFAOYSA-N 2 1 192.253 1.373 10 0 ADAEMP C[NH2+]C1(C[NH2+]CCC(F)F)CCC1 308377890 573381094 /nfs/dbraw/zinc/38/10/94/573381094.db2.gz OSDPKOCXRHMZIU-UHFFFAOYSA-N 2 1 192.253 1.373 10 0 ADAEMP C[N@H+]1CC[C@H](C(C)(C)CC[NH3+])C1 259093629 573381118 /nfs/dbraw/zinc/38/11/18/573381118.db2.gz DNXSHWJKWQICBT-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@H+]1CC[C@@H](CCC2CC[NH2+]CC2)C1 259093444 573381163 /nfs/dbraw/zinc/38/11/63/573381163.db2.gz JJQFPDNQCVLOAL-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC1(CC)[C@@H]([NH3+])CC[N@H+]1C 107158800 573382510 /nfs/dbraw/zinc/38/25/10/573382510.db2.gz SQENIRBOJJYOGT-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])CCO[C@@H]1C 308378411 573382563 /nfs/dbraw/zinc/38/25/63/573382563.db2.gz QERWZMMUBSBGOS-CJOPTALJSA-N 2 1 198.310 1.049 10 0 ADAEMP CCC(CC)[C@@H]1CC[N@@H+](CCN)C1 308378222 573381690 /nfs/dbraw/zinc/38/16/90/573381690.db2.gz TXFAGPNURBAPKF-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC(CC)[C@@H]1CC[N@H+](CC[NH3+])C1 308378222 573381695 /nfs/dbraw/zinc/38/16/95/573381695.db2.gz TXFAGPNURBAPKF-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])C1CCSCC1 258333090 573381867 /nfs/dbraw/zinc/38/18/67/573381867.db2.gz YPTPVMISTNKDMC-SECBINFHSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)(C)c1c[nH+]cn1CCCC[NH3+] 308566553 573381994 /nfs/dbraw/zinc/38/19/94/573381994.db2.gz HYXHGGMBIQQMND-UHFFFAOYSA-N 2 1 195.310 1.920 10 0 ADAEMP CC[N@H+]1CC[C@@H](C(C)(C)C[NH3+])C1 259432266 573382007 /nfs/dbraw/zinc/38/20/07/573382007.db2.gz KLWLORWFFWRPJD-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H](C1CC1)[N@H+]1CCCNCC1 83057914 573382063 /nfs/dbraw/zinc/38/20/63/573382063.db2.gz NGGBCAYZYCDYNQ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 133180939 573382190 /nfs/dbraw/zinc/38/21/90/573382190.db2.gz SCPZLECDXJFMKD-PWSUYJOCSA-N 2 1 196.338 1.764 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1CCC[C@H](N)C1 83057928 573382209 /nfs/dbraw/zinc/38/22/09/573382209.db2.gz HKWMCUOINIRLQS-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C1CC1)N1CCC[C@H]([NH3+])C1 83057928 573382214 /nfs/dbraw/zinc/38/22/14/573382214.db2.gz HKWMCUOINIRLQS-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]cn2cccc(C[NH3+])c12 107159623 573382343 /nfs/dbraw/zinc/38/23/43/573382343.db2.gz XYKMUJSYTGLZAJ-UHFFFAOYSA-N 2 1 161.208 1.101 10 0 ADAEMP [NH3+][C@H](CC[NH2+]CCF)c1ccccc1 308567259 573383734 /nfs/dbraw/zinc/38/37/34/573383734.db2.gz ZBBKXWKNPCQPDX-LLVKDONJSA-N 2 1 196.269 1.636 10 0 ADAEMP CC[C@@]1(C)[C@H](C[NH3+])CC[N@H+]1C 107158772 573382996 /nfs/dbraw/zinc/38/29/96/573382996.db2.gz HKJQOFRLWABWTQ-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1CC[C@H](C)[C@H](N)C1 83058024 573383003 /nfs/dbraw/zinc/38/30/03/573383003.db2.gz ZERRYEURHJRXKV-MVWJERBFSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H](C1CC1)N1CC[C@H](C)[C@H]([NH3+])C1 83058024 573383008 /nfs/dbraw/zinc/38/30/08/573383008.db2.gz ZERRYEURHJRXKV-MVWJERBFSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@]1(C)[C@@H]([NH3+])CC[N@H+]1C 107158793 573383113 /nfs/dbraw/zinc/38/31/13/573383113.db2.gz MDARQSJDMBFJHI-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP c1ccc2c(c1)C[NH2+]C21CC[NH2+]CC1 118050022 573383214 /nfs/dbraw/zinc/38/32/14/573383214.db2.gz PHCQDKBEWZSRMN-UHFFFAOYSA-N 2 1 188.274 1.369 10 0 ADAEMP CC(C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 118033053 573383274 /nfs/dbraw/zinc/38/32/74/573383274.db2.gz SUBBDRAVZCPWEL-OWUUHHOZSA-N 2 1 168.284 1.349 10 0 ADAEMP CC(C)[C@@]1(C)[C@H]([NH3+])CC[N@H+]1C 107158784 573383476 /nfs/dbraw/zinc/38/34/76/573383476.db2.gz MDARQSJDMBFJHI-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])C1CCSCC1 258333092 573383521 /nfs/dbraw/zinc/38/35/21/573383521.db2.gz YPTPVMISTNKDMC-VIFPVBQESA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@H](C[NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 133181298 573383574 /nfs/dbraw/zinc/38/35/74/573383574.db2.gz SCPZLECDXJFMKD-ZYHUDNBSSA-N 2 1 196.338 1.764 10 0 ADAEMP CCC1(CC)[C@H]([NH3+])CC[N@H+]1C 107158797 573383589 /nfs/dbraw/zinc/38/35/89/573383589.db2.gz SQENIRBOJJYOGT-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126162249 573390193 /nfs/dbraw/zinc/39/01/93/573390193.db2.gz ORAVPQARQPVYJY-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258011651 573390320 /nfs/dbraw/zinc/39/03/20/573390320.db2.gz BAEKNIDSDHBIKS-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@@H](C/C=C\C[NH3+])C1 258309849 573390345 /nfs/dbraw/zinc/39/03/45/573390345.db2.gz VKCLBNQGZBWVAU-UMBAGQNISA-N 2 1 168.284 1.233 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CC[C@H](C[NH3+])C1 107162319 573392235 /nfs/dbraw/zinc/39/22/35/573392235.db2.gz PXJZNIYFDMONBD-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[N@H+](C2CC2)CCC[NH2+]1 83091502 573392921 /nfs/dbraw/zinc/39/29/21/573392921.db2.gz AEWUYAVSPWZVGR-UHFFFAOYSA-N 2 1 168.284 1.223 10 0 ADAEMP [NH3+][C@H](C[C@H]1CCCC[NH2+]1)c1ccc[nH]1 259094137 573392328 /nfs/dbraw/zinc/39/23/28/573392328.db2.gz AMWMLGZFRJUFKJ-NXEZZACHSA-N 2 1 193.294 1.547 10 0 ADAEMP CC(C)[C@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091539 573392583 /nfs/dbraw/zinc/39/25/83/573392583.db2.gz TZQDUZHAWQFPAY-LLVKDONJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@H]1N1CCC[NH2+]C(C)(C)C1 83093083 573392617 /nfs/dbraw/zinc/39/26/17/573392617.db2.gz OYBCSTYDDYVGFC-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@]1(C)C1CC1 107162289 573392630 /nfs/dbraw/zinc/39/26/30/573392630.db2.gz IKEDQDFUXWCCOR-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@]1(C2CC2)C[N@H+](C2CC2)CCC[NH2+]1 83091528 573392782 /nfs/dbraw/zinc/39/27/82/573392782.db2.gz OYODFOIKVIEYCR-GFCCVEGCSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)Cc1c[nH+]cn1CCC[NH3+] 133493718 573409584 /nfs/dbraw/zinc/40/95/84/573409584.db2.gz OQTUHXWFCXDGKP-UHFFFAOYSA-N 2 1 181.283 1.430 10 0 ADAEMP CC[NH2+]CCn1c[nH+]cc1C1CC1 133503041 573409614 /nfs/dbraw/zinc/40/96/14/573409614.db2.gz LVDVOPZOIZYWNM-UHFFFAOYSA-N 2 1 179.267 1.370 10 0 ADAEMP CC(C)=CCn1c[nH+]cc1[C@@H](C)C[NH3+] 308577043 573409625 /nfs/dbraw/zinc/40/96/25/573409625.db2.gz NDJRILWSMFEBBP-JTQLQIEISA-N 2 1 193.294 1.912 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCC[N@H+]1CC1CCC1 308578133 573408968 /nfs/dbraw/zinc/40/89/68/573408968.db2.gz INLDWBWNDWCSLF-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C[NH3+])n1c[nH+]cc1CC(C)C 133545368 573409000 /nfs/dbraw/zinc/40/90/00/573409000.db2.gz ZAHNMFVFLIPZAX-SNVBAGLBSA-N 2 1 195.310 1.991 10 0 ADAEMP CC[C@@H](C[NH3+])n1c[nH+]cc1C1CC1 133544796 573409043 /nfs/dbraw/zinc/40/90/43/573409043.db2.gz LHMBFGIUNYXGOL-VIFPVBQESA-N 2 1 179.267 1.670 10 0 ADAEMP [NH3+]CCCn1c[nH+]cc1C1CC1 133493497 573409181 /nfs/dbraw/zinc/40/91/81/573409181.db2.gz KGVCUCBHZYPEAP-UHFFFAOYSA-N 2 1 165.240 1.109 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@@]2(C)[NH2+]CCO2)C1 258647010 573409203 /nfs/dbraw/zinc/40/92/03/573409203.db2.gz SDEYNXGYDYIDDY-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@]2(C)[NH2+]CCO2)C1 258647010 573409208 /nfs/dbraw/zinc/40/92/08/573409208.db2.gz SDEYNXGYDYIDDY-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP CCCc1c[nH+]cn1CC[NH2+]C(C)C 133505579 573409241 /nfs/dbraw/zinc/40/92/41/573409241.db2.gz GYKZRJHGHJPKIY-UHFFFAOYSA-N 2 1 195.310 1.834 10 0 ADAEMP CCC[NH2+]CCn1c[nH+]cc1C1CC1 133504544 573409328 /nfs/dbraw/zinc/40/93/28/573409328.db2.gz MTGDTWUTWJVQJQ-UHFFFAOYSA-N 2 1 193.294 1.760 10 0 ADAEMP CC(C)[NH2+]CCn1c[nH+]cc1C1CC1 133505793 573410844 /nfs/dbraw/zinc/41/08/44/573410844.db2.gz OADFSMHHBJVMGH-UHFFFAOYSA-N 2 1 193.294 1.759 10 0 ADAEMP C[C@@H](CC(F)F)[N@H+]1CC[C@@H](C[NH3+])C1 308386469 573410205 /nfs/dbraw/zinc/41/02/05/573410205.db2.gz UUSPHDBNDNPCDA-YUMQZZPRSA-N 2 1 192.253 1.311 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@]2(C)[NH2+]CCO2)C1 258647029 573410536 /nfs/dbraw/zinc/41/05/36/573410536.db2.gz SDEYNXGYDYIDDY-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@]2(C)[NH2+]CCO2)C1 258647029 573410544 /nfs/dbraw/zinc/41/05/44/573410544.db2.gz SDEYNXGYDYIDDY-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP CC(C)=CCn1c[nH+]cc1[C@H](C)C[NH3+] 308577044 573410588 /nfs/dbraw/zinc/41/05/88/573410588.db2.gz NDJRILWSMFEBBP-SNVBAGLBSA-N 2 1 193.294 1.912 10 0 ADAEMP CC(C)Cc1c[nH+]cn1CC[C@@H](C)[NH3+] 133513747 573410678 /nfs/dbraw/zinc/41/06/78/573410678.db2.gz KSSDWXUPDBTDIK-SNVBAGLBSA-N 2 1 195.310 1.819 10 0 ADAEMP C[C@H](CC(F)F)[N@H+]1CC[C@H](C[NH3+])C1 308386461 573410710 /nfs/dbraw/zinc/41/07/10/573410710.db2.gz UUSPHDBNDNPCDA-HTQZYQBOSA-N 2 1 192.253 1.311 10 0 ADAEMP CC(C)[C@H](C[NH3+])n1c[nH+]cc1C1CC1 133550496 573410726 /nfs/dbraw/zinc/41/07/26/573410726.db2.gz LXMYQSOOPFGZJT-JTQLQIEISA-N 2 1 193.294 1.916 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]([C@]2(C)[NH2+]CCO2)C1 258646947 573410742 /nfs/dbraw/zinc/41/07/42/573410742.db2.gz SDEYNXGYDYIDDY-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@]2(C)[NH2+]CCO2)C1 258646947 573410745 /nfs/dbraw/zinc/41/07/45/573410745.db2.gz SDEYNXGYDYIDDY-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP Cc1c[nH+]ccc1O[C@H]1CC[C@H]([NH3+])C1 86407888 573410761 /nfs/dbraw/zinc/41/07/61/573410761.db2.gz JXDUKDLESVUKCA-UWVGGRQHSA-N 2 1 192.262 1.649 10 0 ADAEMP CC1(C)CO[C@@H](CC[NH+]2CCCC2)[NH2+]1 258335976 573418100 /nfs/dbraw/zinc/41/81/00/573418100.db2.gz DXJDRRWHBNDKNX-JTQLQIEISA-N 2 1 198.310 1.197 10 0 ADAEMP C[NH2+][C@H](C[C@@H](C)[NH3+])c1ccccn1 259141114 573606555 /nfs/dbraw/zinc/60/65/55/573606555.db2.gz BDNXCYUOQSAMBK-PSASIEDQSA-N 2 1 179.267 1.079 10 0 ADAEMP CC[C@@H](C)c1c[nH+]cn1CC[NH3+] 133590367 573417365 /nfs/dbraw/zinc/41/73/65/573417365.db2.gz RUASDTPVMMTHFZ-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@H]21 308387460 573417375 /nfs/dbraw/zinc/41/73/75/573417375.db2.gz VNMMENWXCYXMCW-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C/C=C\C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 308387596 573417525 /nfs/dbraw/zinc/41/75/25/573417525.db2.gz PQWIYVSAVNWWKT-LWDVMMASSA-N 2 1 194.322 1.622 10 0 ADAEMP CCCc1c[nH+]cn1C[C@H]1CC[NH2+]C1 133560778 573417530 /nfs/dbraw/zinc/41/75/30/573417530.db2.gz YBRMMSGWSSLAHB-JTQLQIEISA-N 2 1 193.294 1.445 10 0 ADAEMP C[N@H+](Cc1ccco1)[C@H]1CC[C@H]([NH3+])C1 86410251 573417584 /nfs/dbraw/zinc/41/75/84/573417584.db2.gz DZWBOPKSEVPTIO-UWVGGRQHSA-N 2 1 194.278 1.591 10 0 ADAEMP C[N@@H+](Cc1ccco1)[C@H]1CC[C@H]([NH3+])C1 86410251 573417588 /nfs/dbraw/zinc/41/75/88/573417588.db2.gz DZWBOPKSEVPTIO-UWVGGRQHSA-N 2 1 194.278 1.591 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@](C)(F)C[NH3+])C1 257811196 573417641 /nfs/dbraw/zinc/41/76/41/573417641.db2.gz AZGNRRIGOVOJOI-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP CCCc1c[nH+]cn1C[C@H]([NH3+])C1CC1 133564596 573417682 /nfs/dbraw/zinc/41/76/82/573417682.db2.gz UDUALIIIKPQKQT-NSHDSACASA-N 2 1 193.294 1.573 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@@H]2CCC[C@@H]21 308387459 573417683 /nfs/dbraw/zinc/41/76/83/573417683.db2.gz VNMMENWXCYXMCW-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 86410137 573417719 /nfs/dbraw/zinc/41/77/19/573417719.db2.gz FRZYUPQVVOZIIM-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)c1c[nH+]cn1CCC[NH3+] 133599685 573417756 /nfs/dbraw/zinc/41/77/56/573417756.db2.gz UZMYSISPWGQBPX-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP [NH3+][C@@H](Cn1c[nH+]cc1C1CC1)C1CC1 133565054 573417811 /nfs/dbraw/zinc/41/78/11/573417811.db2.gz RUSKOBHGEKVVSZ-JTQLQIEISA-N 2 1 191.278 1.498 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86410131 573417851 /nfs/dbraw/zinc/41/78/51/573417851.db2.gz NXQGKZVAPWLGPV-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86409669 573417904 /nfs/dbraw/zinc/41/79/04/573417904.db2.gz FFPGLWBNTDZFHU-UWVGGRQHSA-N 2 1 170.300 1.597 10 0 ADAEMP CCCc1c[nH+]cn1C[C@@H]([NH3+])CC 133529897 573417943 /nfs/dbraw/zinc/41/79/43/573417943.db2.gz XNSPSUNFFAXHMX-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH3+])[C@@H]1C 107220503 573422014 /nfs/dbraw/zinc/42/20/14/573422014.db2.gz LREHDADJMJUVPY-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+]CCCCC1=CCC[N@@H+](C)C1 258031568 573421413 /nfs/dbraw/zinc/42/14/13/573421413.db2.gz KCGBAPYUPHOMJG-UHFFFAOYSA-N 2 1 182.311 1.638 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86431639 573421434 /nfs/dbraw/zinc/42/14/34/573421434.db2.gz QNLUAYIFGUUVDH-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@H]([NH3+])C1CC1 130017310 573421538 /nfs/dbraw/zinc/42/15/38/573421538.db2.gz FUNJGJOLYSKDAQ-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@@H](C)C1 334865520 573422175 /nfs/dbraw/zinc/42/21/75/573422175.db2.gz UTEZLSMTTOSFPB-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]([NH3+])CCn1c[nH+]cc1C1CCC1 133684587 573421687 /nfs/dbraw/zinc/42/16/87/573421687.db2.gz CGTUDXRRFOXQAU-SECBINFHSA-N 2 1 193.294 1.888 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 86432820 573421694 /nfs/dbraw/zinc/42/16/94/573421694.db2.gz MTOCQZFWICGEDA-VHSXEESVSA-N 2 1 182.311 1.741 10 0 ADAEMP C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C(C)C)C1 107220549 573421700 /nfs/dbraw/zinc/42/17/00/573421700.db2.gz GFEJRXLDLOEZSF-RKDXNWHRSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@@H]1C[C@@H](C)[N@H+](C(C)C)C1 107220549 573421703 /nfs/dbraw/zinc/42/17/03/573421703.db2.gz GFEJRXLDLOEZSF-RKDXNWHRSA-N 2 1 156.273 1.077 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[NH3+])[C@@H]1C 107220508 573421808 /nfs/dbraw/zinc/42/18/08/573421808.db2.gz LREHDADJMJUVPY-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]1[C@@H]([NH2+]C)CCC[N@@H+]1C 107220539 573421897 /nfs/dbraw/zinc/42/18/97/573421897.db2.gz OARCZUPAEDFCPL-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H]1[C@@H]([NH2+]C)CCC[N@H+]1C 107220539 573421901 /nfs/dbraw/zinc/42/19/01/573421901.db2.gz OARCZUPAEDFCPL-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H](C)c1c[nH+]cn1[C@H](C)C[NH3+] 133623895 573421906 /nfs/dbraw/zinc/42/19/06/573421906.db2.gz RQYCKAIMVOYZJT-DTWKUNHWSA-N 2 1 181.283 1.916 10 0 ADAEMP CC[C@@H]1[C@@H]([NH2+]C)CCC[N@@H+]1C 107220536 573421966 /nfs/dbraw/zinc/42/19/66/573421966.db2.gz OARCZUPAEDFCPL-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@@H]1[C@@H]([NH2+]C)CCC[N@H+]1C 107220536 573421972 /nfs/dbraw/zinc/42/19/72/573421972.db2.gz OARCZUPAEDFCPL-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP Cc1cc(C[NH2+]C[C@H](C)[NH3+])ccc1F 258650167 573426343 /nfs/dbraw/zinc/42/63/43/573426343.db2.gz AMKZREIXJPFKJI-VIFPVBQESA-N 2 1 196.269 1.571 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)C)[C@@H]1C 107220555 573426371 /nfs/dbraw/zinc/42/63/71/573426371.db2.gz HLKASOVPTUJQHP-RKDXNWHRSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@@H]1C 107220555 573426374 /nfs/dbraw/zinc/42/63/74/573426374.db2.gz HLKASOVPTUJQHP-RKDXNWHRSA-N 2 1 156.273 1.077 10 0 ADAEMP CC[C@H]1[C@@H](CC[NH3+])CC[N@H+]1C 107220454 573426429 /nfs/dbraw/zinc/42/64/29/573426429.db2.gz QMBZKQULBLULQB-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1[C@@H](C[NH3+])CC(C)(C)[N@H+]1C 107220437 573426563 /nfs/dbraw/zinc/42/65/63/573426563.db2.gz UZJHKFJYXOVIPE-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[N@@H+](CC[C@H]([NH3+])C1CC1)C(C)C 130014274 573426619 /nfs/dbraw/zinc/42/66/19/573426619.db2.gz BAZGEQXLNJCEOW-NSHDSACASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H](F)C[NH3+])C1 257811504 573426623 /nfs/dbraw/zinc/42/66/23/573426623.db2.gz BEDSCYCBXBXTSF-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C 107220484 573426678 /nfs/dbraw/zinc/42/66/78/573426678.db2.gz AUQVPBNTDCQNEV-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86432905 573426757 /nfs/dbraw/zinc/42/67/57/573426757.db2.gz VJKKVFNILYOIEO-WISYIIOYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](CC2([NH3+])CC2)C1 258028385 573426773 /nfs/dbraw/zinc/42/67/73/573426773.db2.gz NUVNHJCCZHUCAR-JTQLQIEISA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])CCn1c[nH+]cc1C(C)(C)C 133515150 573426796 /nfs/dbraw/zinc/42/67/96/573426796.db2.gz CPMVTMDKPCGMHB-SECBINFHSA-N 2 1 195.310 1.918 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@H](F)C[NH3+])C1 257811506 573426856 /nfs/dbraw/zinc/42/68/56/573426856.db2.gz BEDSCYCBXBXTSF-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86432919 573426890 /nfs/dbraw/zinc/42/68/90/573426890.db2.gz XGYKPHCFFWFIEY-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258029128 573426891 /nfs/dbraw/zinc/42/68/91/573426891.db2.gz BZUNEMUSOIWQBA-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@@H]1CC[C@H]([NH3+])C1 86432716 573426910 /nfs/dbraw/zinc/42/69/10/573426910.db2.gz LOJSEBDHCCQLBX-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])C1 86432874 573427029 /nfs/dbraw/zinc/42/70/29/573427029.db2.gz JKILUEAPCMKFLX-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C1CC1 107223973 573430578 /nfs/dbraw/zinc/43/05/78/573430578.db2.gz ZIJZSKSPZPLBFX-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@H+]1CC[C@H](CNC2=[NH+]CCC2)C1 86454716 573429816 /nfs/dbraw/zinc/42/98/16/573429816.db2.gz QJYVPVWUICVZLC-SNVBAGLBSA-N 2 1 195.310 1.110 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc[nH]1 258650279 573429987 /nfs/dbraw/zinc/42/99/87/573429987.db2.gz AOGDJSKYUIQORQ-VIFPVBQESA-N 2 1 181.283 1.041 10 0 ADAEMP CC[C@H]1[N@@H+](C)CC[C@@]12CC[NH2+]C2 107223901 573429989 /nfs/dbraw/zinc/42/99/89/573429989.db2.gz QFFUDTSIWOHLLM-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@H](CNC2=[NH+]CCCC2)C1 86454728 573430070 /nfs/dbraw/zinc/43/00/70/573430070.db2.gz CQCTZDANOKIJHL-SNVBAGLBSA-N 2 1 195.310 1.110 10 0 ADAEMP CC[N@H+]1CC[C@@H](CNC2=[NH+]CCC2)C1 86454717 573430084 /nfs/dbraw/zinc/43/00/84/573430084.db2.gz QJYVPVWUICVZLC-JTQLQIEISA-N 2 1 195.310 1.110 10 0 ADAEMP CC[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C1CC1 107224057 573430095 /nfs/dbraw/zinc/43/00/95/573430095.db2.gz CRDNMJRMTQGGKM-VHSXEESVSA-N 2 1 168.284 1.351 10 0 ADAEMP Fc1cccc2c[nH+]c(C3C[NH2+]C3)n12 257811895 573430178 /nfs/dbraw/zinc/43/01/78/573430178.db2.gz BMLITVIOJSAPGC-UHFFFAOYSA-N 2 1 191.209 1.160 10 0 ADAEMP C[C@H]1C[C@@H](CC[NH3+])C[N@H+]1C1CC1 107223939 573430359 /nfs/dbraw/zinc/43/03/59/573430359.db2.gz GIKXXWMNJJTDRG-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1[C@@H]2CC[NH2+][C@@H]2C(C)(C)[N@@H+]1C 107223830 573430421 /nfs/dbraw/zinc/43/04/21/573430421.db2.gz ZRBDCDUXGMSEPO-VGMNWLOBSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@@H]1[C@@H]2CC[NH2+][C@@H]2C(C)(C)[N@H+]1C 107223830 573430428 /nfs/dbraw/zinc/43/04/28/573430428.db2.gz ZRBDCDUXGMSEPO-VGMNWLOBSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC12CC2 715281916 573430438 /nfs/dbraw/zinc/43/04/38/573430438.db2.gz WVUMTQCBBVXJEO-LPEHRKFASA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@H]1[N@@H+](C)CCC12CC[NH2+]CC2 107223682 573430452 /nfs/dbraw/zinc/43/04/52/573430452.db2.gz NQHNKLZLJFLENL-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1[N@@H+](C)CCC[C@@]12CCC[NH2+]C2 107229687 573442213 /nfs/dbraw/zinc/44/22/13/573442213.db2.gz APLDRJQVFHRZKS-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1C[C@@]2(CCC[NH2+]C2)C[N@H+]1C1CC1 107235732 573442230 /nfs/dbraw/zinc/44/22/30/573442230.db2.gz SJJMTASWYSEJAV-CMPLNLGQSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1[C@H]2CCC[NH2+][C@@H]2C(C)(C)[N@H+]1C 107229888 573442279 /nfs/dbraw/zinc/44/22/79/573442279.db2.gz PORLTBLKLQRVOB-BBBLOLIVSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@]2(CCC[NH2+]C2)C[N@H+]1C1CC1 107235736 573442317 /nfs/dbraw/zinc/44/23/17/573442317.db2.gz SJJMTASWYSEJAV-PWSUYJOCSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1[N@@H+](C)CCCC12CC[NH2+]CC2 107229731 573441669 /nfs/dbraw/zinc/44/16/69/573441669.db2.gz TUPRIJQUVZROAD-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2CC[N@@H+]1C 107229904 573442350 /nfs/dbraw/zinc/44/23/50/573442350.db2.gz PAFOVMUPDIQHHB-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C1C[NH2+][C@H]2CC[N@@H+](C3CC3)CC[C@@H]2C1 107235881 573441685 /nfs/dbraw/zinc/44/16/85/573441685.db2.gz KMTNGMUCAQKEAH-JQWIXIFHSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2CC[N@H+]1C 107229904 573442356 /nfs/dbraw/zinc/44/23/56/573442356.db2.gz PAFOVMUPDIQHHB-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]CC[C@@H]2C1 107229790 573441880 /nfs/dbraw/zinc/44/18/80/573441880.db2.gz JRKRJEYGZNJOEJ-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@]1([C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258355498 573441905 /nfs/dbraw/zinc/44/19/05/573441905.db2.gz YVMDZXZAABYGND-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2[C@H]1C 107229944 573441910 /nfs/dbraw/zinc/44/19/10/573441910.db2.gz HNCLMLWZPMIYCI-VWYCJHECSA-N 2 1 182.311 1.467 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+](C2CC2)CC1 107230083 573441946 /nfs/dbraw/zinc/44/19/46/573441946.db2.gz VRXFQGUDTIFDPW-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[C@H]1[N@@H+](C)CC[C@@]12CCC[NH2+]C2 107237427 573442034 /nfs/dbraw/zinc/44/20/34/573442034.db2.gz LZSAXDQEDUYMTR-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 308587374 573442093 /nfs/dbraw/zinc/44/20/93/573442093.db2.gz SUHLAADTTVQJGE-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CCC[NH2+]C2)[C@@H]1C 107237463 573444869 /nfs/dbraw/zinc/44/48/69/573444869.db2.gz PASSXYLUKVXLBH-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CCC[NH2+]C2)[C@@H]1C 107237457 573444892 /nfs/dbraw/zinc/44/48/92/573444892.db2.gz PASSXYLUKVXLBH-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1[N@@H+](C)CCCC12CC[NH2+]CC2 107237483 573444941 /nfs/dbraw/zinc/44/49/41/573444941.db2.gz HECUYUITAURIQI-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CCC[C@H]2C[N@@H+]1C 107237592 573445149 /nfs/dbraw/zinc/44/51/49/573445149.db2.gz GCHWYQIAOPTCNE-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CCC[C@H]2C[N@H+]1C 107237592 573445154 /nfs/dbraw/zinc/44/51/54/573445154.db2.gz GCHWYQIAOPTCNE-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCC(C)(C)[N@H+]1CC[C@@H](C[NH3+])C1 126260309 573445177 /nfs/dbraw/zinc/44/51/77/573445177.db2.gz AIBFGSFNGSOXDH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2C[NH2+]CC[C@@H]2C[N@H+]1C 107237515 573445202 /nfs/dbraw/zinc/44/52/02/573445202.db2.gz UXBVIZLANRDUMS-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP C[N@@H+](CC[C@H]1CCCC[C@H]1[NH3+])C1CC1 308587376 573445344 /nfs/dbraw/zinc/44/53/44/573445344.db2.gz SUHLAADTTVQJGE-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP NC(=[NH2+])CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126260523 573445354 /nfs/dbraw/zinc/44/53/54/573445354.db2.gz SJWKWKPIZIASRJ-AOOOYVTPSA-N 2 1 195.310 1.434 10 0 ADAEMP CC[C@@]1([C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258355499 573445373 /nfs/dbraw/zinc/44/53/73/573445373.db2.gz YVMDZXZAABYGND-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](CC[C@H]1CCCC[C@@H]1[NH3+])C1CC1 308587375 573445485 /nfs/dbraw/zinc/44/54/85/573445485.db2.gz SUHLAADTTVQJGE-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2CCC[NH2+][C@H]2[C@H]1C 107237627 573445524 /nfs/dbraw/zinc/44/55/24/573445524.db2.gz BNCCMSDQMUQCHE-WOPDTQHZSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CCC[NH2+][C@H]2[C@H]1C 107237627 573445529 /nfs/dbraw/zinc/44/55/29/573445529.db2.gz BNCCMSDQMUQCHE-WOPDTQHZSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1(C)C 259448770 573445609 /nfs/dbraw/zinc/44/56/09/573445609.db2.gz PASNUCRFLXMWFI-SECBINFHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CC[N@@H+](C)C2)O1 258352846 573453954 /nfs/dbraw/zinc/45/39/54/573453954.db2.gz FVFZPUCSWBRICI-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CCc1[nH]cc(CCC2([NH3+])CC2)[nH+]1 257817451 573453997 /nfs/dbraw/zinc/45/39/97/573453997.db2.gz DRQDDSXCOVRHQR-UHFFFAOYSA-N 2 1 179.267 1.396 10 0 ADAEMP C[NH2+]CC/C=C\[C@H]1CCCC[N@H+]1C 258360807 573454023 /nfs/dbraw/zinc/45/40/23/573454023.db2.gz ZIEQHCOAZGPELO-UFVHFEBBSA-N 2 1 182.311 1.636 10 0 ADAEMP CC[C@@H](C)[NH2+]C1(C[NH3+])CCC1 86475234 573453513 /nfs/dbraw/zinc/45/35/13/573453513.db2.gz VXJWURBCBGREOD-MRVPVSSYSA-N 2 1 156.273 1.256 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCCCC2)CC1 236226418 573453553 /nfs/dbraw/zinc/45/35/53/573453553.db2.gz RODIBNGHCXEKTA-UHFFFAOYSA-N 2 1 182.311 1.790 10 0 ADAEMP Cc1ccc(C[C@@](C)([NH3+])C[NH3+])cc1 142575687 573453662 /nfs/dbraw/zinc/45/36/62/573453662.db2.gz QAAJHQPLWCYIOU-LLVKDONJSA-N 2 1 178.279 1.214 10 0 ADAEMP C[C@@H]1[NH2+][C@H](C)CC[C@@H]1[NH+](C)C 107259527 573453721 /nfs/dbraw/zinc/45/37/21/573453721.db2.gz CKRCZGKZLJEIIB-VGMNWLOBSA-N 2 1 156.273 1.077 10 0 ADAEMP CC[C@H](C)[NH2+]C1(C[NH3+])CCC1 86475235 573453722 /nfs/dbraw/zinc/45/37/22/573453722.db2.gz VXJWURBCBGREOD-QMMMGPOBSA-N 2 1 156.273 1.256 10 0 ADAEMP CC1(C)C[NH2+][C@@H](C[C@@H]2CCC[NH2+]2)OC1 258364201 573453776 /nfs/dbraw/zinc/45/37/76/573453776.db2.gz GKMBMAXFHLDRAS-VHSXEESVSA-N 2 1 198.310 1.101 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCC2)CCC1 86475237 573453791 /nfs/dbraw/zinc/45/37/91/573453791.db2.gz KESGDLJGIUTFMJ-UHFFFAOYSA-N 2 1 168.284 1.400 10 0 ADAEMP C[NH2+]CC/C=C\[C@H]1CC[N@H+](C(C)C)C1 258364448 573458927 /nfs/dbraw/zinc/45/89/27/573458927.db2.gz ZQQDTTYPDKDVAU-RNZFLTOJSA-N 2 1 196.338 1.882 10 0 ADAEMP C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H]1CN 107266240 573458428 /nfs/dbraw/zinc/45/84/28/573458428.db2.gz AOZAKBKTJAJSHZ-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H]1C[NH3+] 107266240 573458433 /nfs/dbraw/zinc/45/84/33/573458433.db2.gz AOZAKBKTJAJSHZ-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H]1C[NH3+] 107266240 573458437 /nfs/dbraw/zinc/45/84/37/573458437.db2.gz AOZAKBKTJAJSHZ-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[NH2+][C@H](C[C@H]2CCC[NH2+]2)OC1 258364202 573458496 /nfs/dbraw/zinc/45/84/96/573458496.db2.gz GKMBMAXFHLDRAS-ZJUUUORDSA-N 2 1 198.310 1.101 10 0 ADAEMP CCC[NH2+]C[C@@]1(F)CCC[NH2+]C1 257813979 573458503 /nfs/dbraw/zinc/45/85/03/573458503.db2.gz CGRKZMNVUOCHFP-VIFPVBQESA-N 2 1 174.263 1.078 10 0 ADAEMP Cc1nc([C@H]2CC[NH2+]C2)[nH]c1C(C)C 257817708 573458543 /nfs/dbraw/zinc/45/85/43/573458543.db2.gz DXIAIPBNXCGGCP-VIFPVBQESA-N 2 1 193.294 1.918 10 0 ADAEMP C[N@H+]1CCC2(CC[NH2+]CC2)[C@@H](F)C1 257814510 573458618 /nfs/dbraw/zinc/45/86/18/573458618.db2.gz CJOKZAFTBIXBGI-VIFPVBQESA-N 2 1 186.274 1.030 10 0 ADAEMP NC[C@]12CCC[N@H+]1C[C@H]1CCCC[C@@H]12 107266547 573458645 /nfs/dbraw/zinc/45/86/45/573458645.db2.gz PWDZGNHGOWHJTM-WOPDTQHZSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[N@@H+]1C[C@H]1CCCC[C@@H]12 107266547 573458649 /nfs/dbraw/zinc/45/86/49/573458649.db2.gz PWDZGNHGOWHJTM-WOPDTQHZSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[N@H+]1C[C@H]1CCCC[C@@H]12 107266547 573458654 /nfs/dbraw/zinc/45/86/54/573458654.db2.gz PWDZGNHGOWHJTM-WOPDTQHZSA-N 2 1 194.322 1.600 10 0 ADAEMP C[NH2+]C/C=C\[C@@H]1CCCC[N@H+]1C 258367364 573459647 /nfs/dbraw/zinc/45/96/47/573459647.db2.gz ZVGPEOKWIGMWEB-BXKUYDPTSA-N 2 1 168.284 1.246 10 0 ADAEMP [NH3+][C@H]1CN[C@H](c2cccc(F)c2)C1 107266817 573459771 /nfs/dbraw/zinc/45/97/71/573459771.db2.gz GIMMZBCKJJREEK-ZJUUUORDSA-N 2 1 180.226 1.187 10 0 ADAEMP [NH3+][C@H]1C[NH2+][C@H](c2cccc(F)c2)C1 107266817 573459775 /nfs/dbraw/zinc/45/97/75/573459775.db2.gz GIMMZBCKJJREEK-ZJUUUORDSA-N 2 1 180.226 1.187 10 0 ADAEMP C[N@H+]1CCC[C@H](CC2([NH3+])CCC2)C1 258034148 573459846 /nfs/dbraw/zinc/45/98/46/573459846.db2.gz OCRFZHBFIUZHSG-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+][C@@H]1CN[C@H](c2cccc(F)c2)C1 107266812 573459848 /nfs/dbraw/zinc/45/98/48/573459848.db2.gz GIMMZBCKJJREEK-UWVGGRQHSA-N 2 1 180.226 1.187 10 0 ADAEMP [NH3+][C@@H]1C[NH2+][C@H](c2cccc(F)c2)C1 107266812 573459852 /nfs/dbraw/zinc/45/98/52/573459852.db2.gz GIMMZBCKJJREEK-UWVGGRQHSA-N 2 1 180.226 1.187 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](c1cccnc1)[NH+](C)C 259458657 573459853 /nfs/dbraw/zinc/45/98/53/573459853.db2.gz JODXARCSMXORQK-KOLCDFICSA-N 2 1 193.294 1.422 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](c1cccnc1)[NH+](C)C 259458663 573459871 /nfs/dbraw/zinc/45/98/71/573459871.db2.gz JODXARCSMXORQK-ONGXEEELSA-N 2 1 193.294 1.422 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H](C)C[NH3+])C1 259459138 573459955 /nfs/dbraw/zinc/45/99/55/573459955.db2.gz MRODFDXNYBYPDO-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP [NH3+][C@@H]1CCc2[nH+]c(C3CCC3)cn2C1 258381729 573460104 /nfs/dbraw/zinc/46/01/04/573460104.db2.gz MTILWULQKADHAL-SECBINFHSA-N 2 1 191.278 1.424 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C[NH3+])[C@@H](C)[C@@H]1C 715152670 573460879 /nfs/dbraw/zinc/46/08/79/573460879.db2.gz FAXBHDCBCYNWPA-ZIQFBCGOSA-N 2 1 196.338 1.558 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC2([NH3+])CCC2)C1 258034145 573460946 /nfs/dbraw/zinc/46/09/46/573460946.db2.gz OCRFZHBFIUZHSG-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[NH2+]C/C=C\[C@H]1CCCC[N@H+]1C 258367365 573460964 /nfs/dbraw/zinc/46/09/64/573460964.db2.gz ZVGPEOKWIGMWEB-ONRRBMGISA-N 2 1 168.284 1.246 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H](F)C[NH3+])C1 257815386 573461070 /nfs/dbraw/zinc/46/10/70/573461070.db2.gz CTGCLASDQNUJSV-DTWKUNHWSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]([NH3+])C[C@H](c1cccnc1)[NH+](C)C 259458660 573461296 /nfs/dbraw/zinc/46/12/96/573461296.db2.gz JODXARCSMXORQK-MWLCHTKSSA-N 2 1 193.294 1.422 10 0 ADAEMP [NH3+][C@H]1CCc2[nH+]c(C3CCC3)cn2C1 258381731 573461322 /nfs/dbraw/zinc/46/13/22/573461322.db2.gz MTILWULQKADHAL-VIFPVBQESA-N 2 1 191.278 1.424 10 0 ADAEMP CC1(C)C[NH2+][C@@](C)(C[C@H]2CCC[NH2+]2)O1 258357614 573467732 /nfs/dbraw/zinc/46/77/32/573467732.db2.gz GBQQQUKKQAHZEG-MWLCHTKSSA-N 2 1 198.310 1.243 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CO1 258386090 573467762 /nfs/dbraw/zinc/46/77/62/573467762.db2.gz HODTVXYDFWQNON-HBNTYKKESA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CO1 258386090 573467768 /nfs/dbraw/zinc/46/77/68/573467768.db2.gz HODTVXYDFWQNON-HBNTYKKESA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@H]2[NH2+]C(C)(C)CO2)C1 258397120 573467327 /nfs/dbraw/zinc/46/73/27/573467327.db2.gz ICPWNNAZMOBIFD-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 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C[C@H](C[NH3+])c1c[nH+]cn1CC1CCC1 308584402 573472110 /nfs/dbraw/zinc/47/21/10/573472110.db2.gz RAKZPSLKSZWXHS-SECBINFHSA-N 2 1 193.294 1.745 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[NH2+]CC2CC2)C1 308583837 573472209 /nfs/dbraw/zinc/47/22/09/573472209.db2.gz HQSSVWVLFKGQSQ-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC1(C)CC[N@@H+](CC[C@H]([NH3+])C2CC2)C1 130126336 573472320 /nfs/dbraw/zinc/47/23/20/573472320.db2.gz HZAFAWLCRBXHTJ-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CC[N@@H+](CC[C@@H]([NH3+])C2CC2)C1 130126558 573472343 /nfs/dbraw/zinc/47/23/43/573472343.db2.gz HZAFAWLCRBXHTJ-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP C/C=C\CC[NH2+][C@@]1(C[NH3+])CCCOC1 308391474 573472487 /nfs/dbraw/zinc/47/24/87/573472487.db2.gz MRNCIHVYMOZZAD-OTDNITJGSA-N 2 1 198.310 1.050 10 0 ADAEMP Cc1ccc(NC[C@H](C)C[NH3+])[nH+]c1 83387646 573472771 /nfs/dbraw/zinc/47/27/71/573472771.db2.gz GGRGAZNVLPHCMJ-SECBINFHSA-N 2 1 179.267 1.397 10 0 ADAEMP C[C@H]1CCC[C@]1(C[NH3+])[NH2+]C1CC1 83392744 573480612 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WSOVWLMQEWULHI-LPEHRKFASA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126315796 573483891 /nfs/dbraw/zinc/48/38/91/573483891.db2.gz UFZPVFKYBGCXFZ-UTUOFQBUSA-N 2 1 196.338 1.703 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259106845 573483951 /nfs/dbraw/zinc/48/39/51/573483951.db2.gz AZKHYYRFAGYRDF-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCc1c[nH]c(C(C)(C)CC[NH3+])[nH+]1 259106419 573483971 /nfs/dbraw/zinc/48/39/71/573483971.db2.gz OOBNHOAMSKNFAY-UHFFFAOYSA-N 2 1 181.283 1.599 10 0 ADAEMP C[N@H+]1CC=C(c2ccc(C[NH3+])cc2)C1 257819490 573484158 /nfs/dbraw/zinc/48/41/58/573484158.db2.gz FLDGAIFNWVIJNB-UHFFFAOYSA-N 2 1 188.274 1.474 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@@H]2[NH2+]CCCO2)C1 258399824 573484251 /nfs/dbraw/zinc/48/42/51/573484251.db2.gz IIGIGMRQHPJGBF-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP C[C@@H]1C[C@H]([C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 258694502 573496117 /nfs/dbraw/zinc/49/61/17/573496117.db2.gz ZGWNIPLHMSMKCC-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)CC1 83424098 573495414 /nfs/dbraw/zinc/49/54/14/573495414.db2.gz CCSQRZJDVOQBID-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[N@H+]1CCC/C(=C\C[NH3+])CC1 83424072 573495454 /nfs/dbraw/zinc/49/54/54/573495454.db2.gz BHIFUOJMDVAGBU-VZUCSPMQSA-N 2 1 182.311 1.767 10 0 ADAEMP CCCC[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 83426144 573495498 /nfs/dbraw/zinc/49/54/98/573495498.db2.gz FNGAUDKYJXEOIL-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)([NH3+])CCC[NH2+]CC(F)F 147854558 573495528 /nfs/dbraw/zinc/49/55/28/573495528.db2.gz FASMEBVGUAMXLX-UHFFFAOYSA-N 2 1 180.242 1.359 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CCC1([NH3+])CCC1 258041611 573495554 /nfs/dbraw/zinc/49/55/54/573495554.db2.gz OKPQSFDMHVZDRZ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](CC[NH3+])CC1 83423983 573495592 /nfs/dbraw/zinc/49/55/92/573495592.db2.gz QOANXISOZXMUFT-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1C[C@@H]([C@H]2CC[N@@H+](C)C2)CC[NH2+]1 258694513 573495949 /nfs/dbraw/zinc/49/59/49/573495949.db2.gz ZGWNIPLHMSMKCC-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H](CCCC[NH3+])[N@H+]1CC[C@@H](F)C1 689812657 573496007 /nfs/dbraw/zinc/49/60/07/573496007.db2.gz BBYABAHTQSMIJP-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP CC[N@@H+]1CC[C@@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258709148 573503648 /nfs/dbraw/zinc/50/36/48/573503648.db2.gz UVXKQUKDYYUSSB-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258709148 573503656 /nfs/dbraw/zinc/50/36/56/573503656.db2.gz UVXKQUKDYYUSSB-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@H]([NH3+])c1ccc[nH]1 259480949 573502921 /nfs/dbraw/zinc/50/29/21/573502921.db2.gz PTGBJBAIRJAKPD-KOLCDFICSA-N 2 1 195.310 1.506 10 0 ADAEMP CC[N@H+]1CCC[C@H](CCC2([NH3+])CC2)C1 258049280 573503116 /nfs/dbraw/zinc/50/31/16/573503116.db2.gz OYFFXCXCOPYDGW-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CC[C@H]1CCCc2[nH+]ccn21 107311985 573503325 /nfs/dbraw/zinc/50/33/25/573503325.db2.gz AALOVEYZYOKWFY-MRVPVSSYSA-N 2 1 165.240 1.109 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H](/C=C\C[NH3+])C1 258049202 573503389 /nfs/dbraw/zinc/50/33/89/573503389.db2.gz DAXUPYKPVRGECP-MZBZXASESA-N 2 1 182.311 1.622 10 0 ADAEMP Cc1c(C2CC2)[nH+]c2n1C[C@@H]([NH3+])CC2 107311686 573503599 /nfs/dbraw/zinc/50/35/99/573503599.db2.gz IDDWVGZAJVRTHY-VIFPVBQESA-N 2 1 191.278 1.342 10 0 ADAEMP C[C@H]([NH3+])CNc1ccc2[nH]c[nH+]c2c1 258715159 573505573 /nfs/dbraw/zinc/50/55/73/573505573.db2.gz IHXWEWNLHBANHW-ZETCQYMHSA-N 2 1 190.250 1.322 10 0 ADAEMP COc1ccc(C[NH2+]C[C@H](C)[NH3+])cc1 258716688 573505601 /nfs/dbraw/zinc/50/56/01/573505601.db2.gz IPBQOTXUXZZSOA-VIFPVBQESA-N 2 1 194.278 1.132 10 0 ADAEMP Cc1[nH+]ccn1CC(C)(C)C[NH3+] 86595883 573505122 /nfs/dbraw/zinc/50/51/22/573505122.db2.gz AFDSKQFVWVLALE-UHFFFAOYSA-N 2 1 167.256 1.176 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[N@@H+](C)CC(C)C 259110700 573505174 /nfs/dbraw/zinc/50/51/74/573505174.db2.gz XNZWBQBHVULRJG-NSHDSACASA-N 2 1 186.343 1.820 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H](n2cc[nH+]c2C)C1 86600629 573505230 /nfs/dbraw/zinc/50/52/30/573505230.db2.gz PYXAAEYDYFTRPR-QWRGUYRKSA-N 2 1 193.294 1.895 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@@H]([NH3+])c1ccc[nH]1 259480951 573505242 /nfs/dbraw/zinc/50/52/42/573505242.db2.gz PTGBJBAIRJAKPD-MWLCHTKSSA-N 2 1 195.310 1.506 10 0 ADAEMP Cc1cn2c([nH+]1)CCC[C@@H]2C[NH3+] 107312126 573505372 /nfs/dbraw/zinc/50/53/72/573505372.db2.gz LFPYPBSSRSPUHP-MRVPVSSYSA-N 2 1 165.240 1.028 10 0 ADAEMP Cc1c(C2CC2)[nH+]c2n1C[C@H]([NH3+])CC2 107311684 573505449 /nfs/dbraw/zinc/50/54/49/573505449.db2.gz IDDWVGZAJVRTHY-SECBINFHSA-N 2 1 191.278 1.342 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](/C=C\C[NH3+])C1 258049204 573505485 /nfs/dbraw/zinc/50/54/85/573505485.db2.gz DAXUPYKPVRGECP-USEMIUTHSA-N 2 1 182.311 1.622 10 0 ADAEMP C[NH2+]CC1([C@H]([NH3+])c2cc[nH]c2)CC1 259527596 573606600 /nfs/dbraw/zinc/60/66/00/573606600.db2.gz SPUNPYMLXWJVOK-SECBINFHSA-N 2 1 179.267 1.014 10 0 ADAEMP C[NH2+][C@@H](C[C@@H](C)[NH3+])c1ccccn1 259141118 573606655 /nfs/dbraw/zinc/60/66/55/573606655.db2.gz BDNXCYUOQSAMBK-SCZZXKLOSA-N 2 1 179.267 1.079 10 0 ADAEMP C[NH2+]CC1([C@H]2CC[N@@H+](C)C2)CCC1 259139897 573606686 /nfs/dbraw/zinc/60/66/86/573606686.db2.gz HKADWDZEMBUAOF-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP C[NH2+]CC1([C@@H]2CC[N@@H+](C)C2)CCC1 259139901 573606728 /nfs/dbraw/zinc/60/67/28/573606728.db2.gz HKADWDZEMBUAOF-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1Cc1[nH+]ccn1C 86753507 573606733 /nfs/dbraw/zinc/60/67/33/573606733.db2.gz MHEXUKSQFPAJRP-NXEZZACHSA-N 2 1 193.294 1.351 10 0 ADAEMP CC[C@@H]1CCC[C@](C[NH3+])([NH2+]C)CC1 83436014 573506577 /nfs/dbraw/zinc/50/65/77/573506577.db2.gz LMCIJTJWWBWJQA-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[C@H](C)C[NH2+][C@@H](C)C[NH3+] 162058955 573506849 /nfs/dbraw/zinc/50/68/49/573506849.db2.gz ILJIAOFHRPZZRE-IUCAKERBSA-N 2 1 158.289 1.359 10 0 ADAEMP CC1(C)CCC[C@H]([NH2+]CC[NH3+])CC1 83435566 573506884 /nfs/dbraw/zinc/50/68/84/573506884.db2.gz WWCUBFIJMJFVIG-JTQLQIEISA-N 2 1 184.327 1.894 10 0 ADAEMP CC1(C)CO[C@@](C)(C[C@@H]2CCC[NH2+]2)[NH2+]1 258713757 573506908 /nfs/dbraw/zinc/50/69/08/573506908.db2.gz VCMITURCPNYJER-ONGXEEELSA-N 2 1 198.310 1.243 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@H]([NH3+])c1ccc[nH]1 259480953 573506969 /nfs/dbraw/zinc/50/69/69/573506969.db2.gz PTGBJBAIRJAKPD-ONGXEEELSA-N 2 1 195.310 1.506 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H](n2cc[nH+]c2C)C1 86600633 573508461 /nfs/dbraw/zinc/50/84/61/573508461.db2.gz PYXAAEYDYFTRPR-MNOVXSKESA-N 2 1 193.294 1.895 10 0 ADAEMP CC[C@@H]([C@@H]1CCCC[NH2+]1)[NH+](C)C 259482179 573508605 /nfs/dbraw/zinc/50/86/05/573508605.db2.gz KSGLQDKGCPDBBE-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]([N@@H+](C)C2CC2)C1 86599192 573508616 /nfs/dbraw/zinc/50/86/16/573508616.db2.gz BDBWOADKUQDUAT-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP CCC(CC)C[NH2+][C@@H](C[NH3+])C(C)C 130273081 573507891 /nfs/dbraw/zinc/50/78/91/573507891.db2.gz SQVDNTSXHIWRJJ-NSHDSACASA-N 2 1 186.343 1.996 10 0 ADAEMP C[C@]12CC=CC[C@@]1(C)C[N@@H+](CCN)C2 238419532 573508010 /nfs/dbraw/zinc/50/80/10/573508010.db2.gz OVHLDOMYCLXTFW-TXEJJXNPSA-N 2 1 194.322 1.623 10 0 ADAEMP C[C@]12CC=CC[C@@]1(C)C[N@@H+](CC[NH3+])C2 238419532 573508021 /nfs/dbraw/zinc/50/80/21/573508021.db2.gz OVHLDOMYCLXTFW-TXEJJXNPSA-N 2 1 194.322 1.623 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H](n2cc[nH+]c2C)C1 86600630 573508102 /nfs/dbraw/zinc/50/81/02/573508102.db2.gz PYXAAEYDYFTRPR-GHMZBOCLSA-N 2 1 193.294 1.895 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258709145 573508160 /nfs/dbraw/zinc/50/81/60/573508160.db2.gz UVXKQUKDYYUSSB-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258709145 573508163 /nfs/dbraw/zinc/50/81/63/573508163.db2.gz UVXKQUKDYYUSSB-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@H]([NH2+]C)C1 86599142 573508272 /nfs/dbraw/zinc/50/82/72/573508272.db2.gz FNPWAXAOZIAPAH-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCCC(N)=[NH2+])[C@@H]1C 50565063 573514802 /nfs/dbraw/zinc/51/48/02/573514802.db2.gz GBYHCPGBEIOZKD-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@@H]([NH3+])C1 86601035 573514169 /nfs/dbraw/zinc/51/41/69/573514169.db2.gz HXJVOZBBFPKKHZ-ZJUUUORDSA-N 2 1 193.294 1.888 10 0 ADAEMP C[C@H]([NH3+])c1coc([C@@H]2CC[N@@H+](C)C2)n1 258051210 573514339 /nfs/dbraw/zinc/51/43/39/573514339.db2.gz KXOUQFRJHXERSZ-JGVFFNPUSA-N 2 1 195.266 1.113 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCC[C@@H]([NH3+])C2)c1C 86601113 573514366 /nfs/dbraw/zinc/51/43/66/573514366.db2.gz GDJJENUMCWJMAR-MNOVXSKESA-N 2 1 193.294 1.942 10 0 ADAEMP CCc1[nH]c(CC[C@H](C)[NH3+])[nH+]c1C 258726466 573514369 /nfs/dbraw/zinc/51/43/69/573514369.db2.gz OYIUCZUJVXITBG-ZETCQYMHSA-N 2 1 181.283 1.560 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC2=C(CCCC2)C1 238422061 573514533 /nfs/dbraw/zinc/51/45/33/573514533.db2.gz PXUAQJGHXRUTPS-JTQLQIEISA-N 2 1 194.322 1.910 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC2=C(CCCC2)C1 238422061 573514541 /nfs/dbraw/zinc/51/45/41/573514541.db2.gz PXUAQJGHXRUTPS-JTQLQIEISA-N 2 1 194.322 1.910 10 0 ADAEMP C[N@@H+](C(C)(C)C)C(C)(C)CC[NH3+] 258728725 573514601 /nfs/dbraw/zinc/51/46/01/573514601.db2.gz DZFRPZGFSYPYDB-UHFFFAOYSA-N 2 1 172.316 1.844 10 0 ADAEMP Cc1noc([C@H]2CCC[N@@H+]2C)c1C[NH3+] 257821963 573514698 /nfs/dbraw/zinc/51/46/98/573514698.db2.gz GFITYTBQDSEYKT-SECBINFHSA-N 2 1 195.266 1.208 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 86618693 573522071 /nfs/dbraw/zinc/52/20/71/573522071.db2.gz SFWHVSDYLTXIJM-PSASIEDQSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 107329103 573522186 /nfs/dbraw/zinc/52/21/86/573522186.db2.gz GKEBRRCZXAHASV-ZETCQYMHSA-N 2 1 165.240 1.280 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCC[N@H+]1CCC1CC1 308613214 573522196 /nfs/dbraw/zinc/52/21/96/573522196.db2.gz ZACDPIHODMEDRJ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCCC[NH2+]CC1([NH3+])CC1 258744312 573522209 /nfs/dbraw/zinc/52/22/09/573522209.db2.gz WJBATEKFHCKTFW-UHFFFAOYSA-N 2 1 156.273 1.258 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H]([N@H+]2CC[C@H](C)C2)C1 86619025 573521634 /nfs/dbraw/zinc/52/16/34/573521634.db2.gz FRNATULABJWNML-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+]C[C@]1(C2CCCC2)CCCC[NH2+]1 258739260 573521644 /nfs/dbraw/zinc/52/16/44/573521644.db2.gz OZQZHVDEYJKRAN-NSHDSACASA-N 2 1 182.311 1.648 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[C@@H](C)C[NH3+])C1 259486732 573521781 /nfs/dbraw/zinc/52/17/81/573521781.db2.gz PAMLUOLJLPUJEV-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[C@H](C)C[NH3+])C1 259486744 573521896 /nfs/dbraw/zinc/52/18/96/573521896.db2.gz PAMLUOLJLPUJEV-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H]([N@H+]2CC[C@H](C)C2)C1 86619023 573521943 /nfs/dbraw/zinc/52/19/43/573521943.db2.gz FRNATULABJWNML-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@H]([NH2+]C)C1 86620006 573524340 /nfs/dbraw/zinc/52/43/40/573524340.db2.gz KAFOTIAPFDFFHX-VHSXEESVSA-N 2 1 193.294 1.759 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[C@@H](C)C[NH3+])C1 259486736 573523652 /nfs/dbraw/zinc/52/36/52/573523652.db2.gz PAMLUOLJLPUJEV-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CC[C@@H]([NH3+])C1 86620069 573523839 /nfs/dbraw/zinc/52/38/39/573523839.db2.gz BXUPYBODDWFFFV-ZJUUUORDSA-N 2 1 193.294 1.888 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H](n2cc[nH+]c2C)C1 86619828 573523989 /nfs/dbraw/zinc/52/39/89/573523989.db2.gz HZMCXDSBOKZOPM-GHMZBOCLSA-N 2 1 193.294 1.895 10 0 ADAEMP CC(C)(C)n1c[nH+]cc1CC[NH3+] 107330643 573524044 /nfs/dbraw/zinc/52/40/44/573524044.db2.gz JXQMBEJMGGBNRM-UHFFFAOYSA-N 2 1 167.256 1.139 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](n2cc[nH+]c2C)C1 86619822 573526764 /nfs/dbraw/zinc/52/67/64/573526764.db2.gz SCIWNWQXKHDNKU-VHSXEESVSA-N 2 1 179.267 1.505 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CC[C@@H]([NH3+])C1 86620068 573526883 /nfs/dbraw/zinc/52/68/83/573526883.db2.gz BXUPYBODDWFFFV-NXEZZACHSA-N 2 1 193.294 1.888 10 0 ADAEMP C[C@H](C1CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238432145 573527042 /nfs/dbraw/zinc/52/70/42/573527042.db2.gz NDLUCDBKLWZNJE-JLLWLGSASA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238432145 573527047 /nfs/dbraw/zinc/52/70/47/573527047.db2.gz NDLUCDBKLWZNJE-JLLWLGSASA-N 2 1 194.322 1.611 10 0 ADAEMP CSC[C@@H]([NH3+])CCc1[nH+]ccn1C 126400354 573527132 /nfs/dbraw/zinc/52/71/32/573527132.db2.gz AOZHPBUHMNKETI-QMMMGPOBSA-N 2 1 199.323 1.043 10 0 ADAEMP C[NH2+]CC[NH2+]CCc1sccc1C 258751247 573527214 /nfs/dbraw/zinc/52/72/14/573527214.db2.gz MCAXGRDOTJUFED-UHFFFAOYSA-N 2 1 198.335 1.408 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@@H]([NH2+]C)C1 86620009 573527229 /nfs/dbraw/zinc/52/72/29/573527229.db2.gz KAFOTIAPFDFFHX-ZJUUUORDSA-N 2 1 193.294 1.759 10 0 ADAEMP CCC[N@@H+](C)C(C)(C)CC[NH3+] 258748028 573527274 /nfs/dbraw/zinc/52/72/74/573527274.db2.gz GGYBOQPYWXWQME-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[C@@H]([NH3+])C2)c1C 86620052 573527282 /nfs/dbraw/zinc/52/72/82/573527282.db2.gz LUAYPJXQQTXKMZ-NXEZZACHSA-N 2 1 179.267 1.552 10 0 ADAEMP C[C@@H]([NH3+])Cc1[nH+]cc2cccc(F)n12 107356556 573542748 /nfs/dbraw/zinc/54/27/48/573542748.db2.gz KHPYWGLSKCMESU-SSDOTTSWSA-N 2 1 193.225 1.363 10 0 ADAEMP C[C@]12CCCC[C@@]1(C)C[N@@H+](CCN)C2 238434487 573542768 /nfs/dbraw/zinc/54/27/68/573542768.db2.gz BSACSQJSCRYXNF-TXEJJXNPSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@]12CCCC[C@@]1(C)C[N@@H+](CC[NH3+])C2 238434487 573542781 /nfs/dbraw/zinc/54/27/81/573542781.db2.gz BSACSQJSCRYXNF-TXEJJXNPSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]CCCc1c[nH+]c2ccc(F)cn12 107356527 573541991 /nfs/dbraw/zinc/54/19/91/573541991.db2.gz SSTIGXDBPCEQLV-UHFFFAOYSA-N 2 1 193.225 1.365 10 0 ADAEMP c1[nH+]cn2c1[C@H]([C@H]1CC[NH2+]C1)CCC2 107353593 573542172 /nfs/dbraw/zinc/54/21/72/573542172.db2.gz DHGJMABMSZOLME-UWVGGRQHSA-N 2 1 191.278 1.370 10 0 ADAEMP c1[nH+]cn2c1[C@@H]([C@@H]1CC[NH2+]C1)CCC2 107353589 573542360 /nfs/dbraw/zinc/54/23/60/573542360.db2.gz DHGJMABMSZOLME-NXEZZACHSA-N 2 1 191.278 1.370 10 0 ADAEMP C[C@H]([NH3+])Cc1c[nH+]c2ccc(F)cn12 107356531 573542432 /nfs/dbraw/zinc/54/24/32/573542432.db2.gz LJEXFAUXDHFHQP-ZETCQYMHSA-N 2 1 193.225 1.363 10 0 ADAEMP Cc1ccn2c(C3C[NH2+]C3)[nH+]cc2c1 257824434 573544568 /nfs/dbraw/zinc/54/45/68/573544568.db2.gz GTYJETQTZQKPCL-UHFFFAOYSA-N 2 1 187.246 1.330 10 0 ADAEMP CCc1[nH]c(CC2C[NH2+]C2)nc1C 257825021 573544824 /nfs/dbraw/zinc/54/48/24/573544824.db2.gz GXWJDMWLQDNACM-UHFFFAOYSA-N 2 1 179.267 1.042 10 0 ADAEMP CCc1[nH+]c(CC2C[NH2+]C2)[nH]c1C 257825021 573544828 /nfs/dbraw/zinc/54/48/28/573544828.db2.gz GXWJDMWLQDNACM-UHFFFAOYSA-N 2 1 179.267 1.042 10 0 ADAEMP CCc1[nH]c(CC2C[NH2+]C2)[nH+]c1C 257825021 573544832 /nfs/dbraw/zinc/54/48/32/573544832.db2.gz GXWJDMWLQDNACM-UHFFFAOYSA-N 2 1 179.267 1.042 10 0 ADAEMP CSCC[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259111964 573555683 /nfs/dbraw/zinc/55/56/83/573555683.db2.gz KPHSJEVGNJJARN-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP Cc1nc([C@H](C)C[NH3+])[nH]c1CC(C)C 258771323 573555685 /nfs/dbraw/zinc/55/56/85/573555685.db2.gz UABLXEMMDWGZQG-MRVPVSSYSA-N 2 1 195.310 1.979 10 0 ADAEMP C[N@H+]1CCC[C@H](/C=C\CC[NH3+])C1 258061292 573555905 /nfs/dbraw/zinc/55/59/05/573555905.db2.gz DVBOHWIQUWWGKK-ODTOEKCJSA-N 2 1 168.284 1.233 10 0 ADAEMP C[NH2+]C1CCC([N@H+]2CC[C@H]2C)CC1 86680521 573567752 /nfs/dbraw/zinc/56/77/52/573567752.db2.gz IPGPNMDVMASQNL-KPPDAEKUSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@@]2(C)[NH2+]CCO2)C1 258781098 573567160 /nfs/dbraw/zinc/56/71/60/573567160.db2.gz XEGRCQPMNXFYRJ-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP CCC1C[NH+]([C@H](C[NH3+])[C@]2(C)C[C@H]2C)C1 714713853 573567171 /nfs/dbraw/zinc/56/71/71/573567171.db2.gz APAVQSQNJVXSTO-YUSALJHKSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@@H]1C[NH3+] 86679949 573567234 /nfs/dbraw/zinc/56/72/34/573567234.db2.gz GHZZWQWJVHDYCS-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](F)CC[NH3+] 130512773 573575579 /nfs/dbraw/zinc/57/55/79/573575579.db2.gz VJHASDHPGGCLMD-QMMMGPOBSA-N 2 1 185.246 1.132 10 0 ADAEMP C[N@H+]1CCC[C@@H](C2([NH3+])CC2)CC1 107404407 573575597 /nfs/dbraw/zinc/57/55/97/573575597.db2.gz PBRDEHKXAUASNI-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]1C[C@@H]1[NH2+]CCO1 258065543 573575021 /nfs/dbraw/zinc/57/50/21/573575021.db2.gz GWCQNWJXIJBIFH-WDEREUQCSA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1C[C@@H]1[NH2+]CCO1 258065543 573575028 /nfs/dbraw/zinc/57/50/28/573575028.db2.gz GWCQNWJXIJBIFH-WDEREUQCSA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+]CCO1 258065520 573575252 /nfs/dbraw/zinc/57/52/52/573575252.db2.gz GWCQNWJXIJBIFH-GHMZBOCLSA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+]CCO1 258065520 573575258 /nfs/dbraw/zinc/57/52/58/573575258.db2.gz GWCQNWJXIJBIFH-GHMZBOCLSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]2CCCC[C@H]12 107404479 573575311 /nfs/dbraw/zinc/57/53/11/573575311.db2.gz CTQOYBWNWBBGLX-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP CCCc1[nH]c(CC[C@H](C)[NH3+])[nH+]c1C 258786515 573575372 /nfs/dbraw/zinc/57/53/72/573575372.db2.gz VIYAVUCJSLZNBF-QMMMGPOBSA-N 2 1 195.310 1.950 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C)CC12CCC2 107404552 573575430 /nfs/dbraw/zinc/57/54/30/573575430.db2.gz PQWIDTMKIDHMIZ-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CC[N@H+]2CCC[C@H]12 107404450 573575483 /nfs/dbraw/zinc/57/54/83/573575483.db2.gz NTVMDKXBNWAUPA-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]([NH3+])CCC[C@H]1CCC[N@@H+](C)C1 259116928 573588838 /nfs/dbraw/zinc/58/88/38/573588838.db2.gz LGIKZHNEKRXRHP-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP Cc1c[nH]c(CCC(C)(C)[NH3+])[nH+]1 259134434 573589155 /nfs/dbraw/zinc/58/91/55/573589155.db2.gz RHNASGUXQZAUHU-UHFFFAOYSA-N 2 1 167.256 1.388 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1CCCC(C)(C)CC1 83680634 573589209 /nfs/dbraw/zinc/58/92/09/573589209.db2.gz PABYRPFBBQTNJD-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1CCCC(C)(C)CC1 83680634 573589212 /nfs/dbraw/zinc/58/92/12/573589212.db2.gz PABYRPFBBQTNJD-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H]1C[N@@H+](C)C[C@@H]2CCCC[C@@H]2[NH2+]1 82394836 573592949 /nfs/dbraw/zinc/59/29/49/573592949.db2.gz WFDHDDXEXFYNDK-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)CCC[N@@H+](CCC(N)=[NH2+])CC1 83680617 573593052 /nfs/dbraw/zinc/59/30/52/573593052.db2.gz FCCTXFZURJNNDV-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@H]2[NH2+]CC(C)(C)O2)C1 258808912 573593223 /nfs/dbraw/zinc/59/32/23/573593223.db2.gz YGXMYTGIKMBMEY-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP Cc1ccc([C@@H]([C@@H](C)C[NH3+])[NH+](C)C)o1 259520484 573593331 /nfs/dbraw/zinc/59/33/31/573593331.db2.gz MSCABJVNVIYDSS-GZMMTYOYSA-N 2 1 196.294 1.786 10 0 ADAEMP Cc1ccc([C@H]([C@@H](C)C[NH3+])[NH+](C)C)o1 259520488 573593360 /nfs/dbraw/zinc/59/33/60/573593360.db2.gz MSCABJVNVIYDSS-KWQFWETISA-N 2 1 196.294 1.786 10 0 ADAEMP CC[C@]1(C[NH2+][C@@H]2CC2(C)C)CCC[NH2+]1 215405693 573597500 /nfs/dbraw/zinc/59/75/00/573597500.db2.gz YOUQUSNYTGNBLI-ZYHUDNBSSA-N 2 1 196.338 1.907 10 0 ADAEMP C1C[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C3)[C@@H]2C1 83701104 573597036 /nfs/dbraw/zinc/59/70/36/573597036.db2.gz NQJDAYLQFBXOPA-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C3)[C@@H]2C1 83701104 573597040 /nfs/dbraw/zinc/59/70/40/573597040.db2.gz NQJDAYLQFBXOPA-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)CCCC[N@@H+]1CC[C@H]([NH3+])C1 147564764 573597087 /nfs/dbraw/zinc/59/70/87/573597087.db2.gz HVTAQGXUNLTADC-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CCCC[N@H+]1CC[C@H]([NH3+])C1 147564764 573597089 /nfs/dbraw/zinc/59/70/89/573597089.db2.gz HVTAQGXUNLTADC-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1CCC[C@H]2CCC[C@@H]21 83702444 573597227 /nfs/dbraw/zinc/59/72/27/573597227.db2.gz PJMABVMIVDLBHC-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[N@H+]([C@@H]2CC23CC3)CCC[NH2+]1 715319001 573611048 /nfs/dbraw/zinc/61/10/48/573611048.db2.gz JDMHCBQGEJRELT-GHMZBOCLSA-N 2 1 194.322 1.613 10 0 ADAEMP C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C2(CCC2)C1 107428494 573599167 /nfs/dbraw/zinc/59/91/67/573599167.db2.gz QRUXUQZMEYIYAM-QWRGUYRKSA-N 2 1 194.322 1.470 10 0 ADAEMP Cn1cc[nH+]c1CC[C@H]1CCC[NH2+]C1 86753177 573599173 /nfs/dbraw/zinc/59/91/73/573599173.db2.gz PUJJQPNNYULXKV-SNVBAGLBSA-N 2 1 193.294 1.352 10 0 ADAEMP CC[C@@]1(C[NH2+]C2CC2)CCC[NH2+]1 215393919 573599198 /nfs/dbraw/zinc/59/91/98/573599198.db2.gz UPKSPXBVDYZMCO-JTQLQIEISA-N 2 1 168.284 1.271 10 0 ADAEMP C1C[NH2+][C@@H]2C[C@@H]3CCCC[N@H+]3C[C@@H]2C1 107428467 573599259 /nfs/dbraw/zinc/59/92/59/573599259.db2.gz NOBVHKBWGFQIQS-SDDRHHMPSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@H]([C@@H](F)C[NH3+])C1 257835925 573599339 /nfs/dbraw/zinc/59/93/39/573599339.db2.gz KQRKFNMVFVAZAO-IUCAKERBSA-N 2 1 188.290 1.404 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)[C@H]1C 259139173 573599349 /nfs/dbraw/zinc/59/93/49/573599349.db2.gz DPANXERZNRWQJD-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700510 573599418 /nfs/dbraw/zinc/59/94/18/573599418.db2.gz RABTTWJVYMFDNH-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C)C[C@@H](C[NH2+]C)C(C)C 259139591 573599427 /nfs/dbraw/zinc/59/94/27/573599427.db2.gz ZNOUOHSPLKHRNG-SNVBAGLBSA-N 2 1 172.316 1.430 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@@H]([C@H](F)C[NH3+])C1 257835926 573599714 /nfs/dbraw/zinc/59/97/14/573599714.db2.gz KQRKFNMVFVAZAO-RKDXNWHRSA-N 2 1 188.290 1.404 10 0 ADAEMP CCCC[C@@H]1CCC[N@@H+]1CC[NH3+] 75560553 573613012 /nfs/dbraw/zinc/61/30/12/573613012.db2.gz FEHFYELMESZZGV-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[C@@H]1CCC[N@H+]1CC[NH3+] 75560553 573613019 /nfs/dbraw/zinc/61/30/19/573613019.db2.gz FEHFYELMESZZGV-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP C[NH2+]CCCCC1=CC[N@@H+](C)CC1 258068464 573613100 /nfs/dbraw/zinc/61/31/00/573613100.db2.gz MCPHSXGQQMGDMY-UHFFFAOYSA-N 2 1 182.311 1.638 10 0 ADAEMP C[N@H+]1CCC[C@H](CC(C)(C)[NH3+])C1 75560588 573613459 /nfs/dbraw/zinc/61/34/59/573613459.db2.gz FIMBYMOELZRBNS-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C[NH2+]CC12CC2 716004207 573613932 /nfs/dbraw/zinc/61/39/32/573613932.db2.gz XCICLTFLFHWRAS-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])C[C@@H]1C1CC1 107457260 573614529 /nfs/dbraw/zinc/61/45/29/573614529.db2.gz HDISMJIPRUZARX-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H]1C[N@H+]([C@H]2CC23CC3)CCC[NH2+]1 715319037 573614127 /nfs/dbraw/zinc/61/41/27/573614127.db2.gz JDMHCBQGEJRELT-QWRGUYRKSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H]1C[NH2+][C@H]2CCC[C@H]2C[N@H+]1C 82401770 573614416 /nfs/dbraw/zinc/61/44/16/573614416.db2.gz MTGCRBJTVWOBTM-GUBZILKMSA-N 2 1 168.284 1.079 10 0 ADAEMP C/C=C\C[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 308405997 573614502 /nfs/dbraw/zinc/61/45/02/573614502.db2.gz PFGIOQJZVQNMRM-ZZKXABKFSA-N 2 1 194.322 1.636 10 0 ADAEMP C/C=C\C[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 308405997 573614504 /nfs/dbraw/zinc/61/45/04/573614504.db2.gz PFGIOQJZVQNMRM-ZZKXABKFSA-N 2 1 194.322 1.636 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C1CC1 107457288 573616342 /nfs/dbraw/zinc/61/63/42/573616342.db2.gz MFMBBBFRPNOKNK-PSASIEDQSA-N 2 1 168.284 1.066 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH+]1CC=CC1 130603829 573615750 /nfs/dbraw/zinc/61/57/50/573615750.db2.gz SNPGJYVFDSCFOJ-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP C[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccncc1 308642380 573615837 /nfs/dbraw/zinc/61/58/37/573615837.db2.gz DTXYYFNQZNSQMZ-BBBLOLIVSA-N 2 1 193.294 1.468 10 0 ADAEMP C[N@@H+]1CCC[C@H](CC(F)(F)C[NH3+])C1 257838025 573615861 /nfs/dbraw/zinc/61/58/61/573615861.db2.gz LHKSTIWWWREEES-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP C[N@H+]1CCC[C@H](CC(F)(F)C[NH3+])C1 257838025 573615869 /nfs/dbraw/zinc/61/58/69/573615869.db2.gz LHKSTIWWWREEES-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP CC[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C 107455750 573615882 /nfs/dbraw/zinc/61/58/82/573615882.db2.gz NZUAPTKBQIJERD-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[C@@H](C)C[NH3+] 259529372 573616609 /nfs/dbraw/zinc/61/66/09/573616609.db2.gz UIPXTMCHZSCZKA-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP FC(F)C[NH2+]CCC[C@H]1CCC[NH2+]1 308407806 573616831 /nfs/dbraw/zinc/61/68/31/573616831.db2.gz MWJGYHUDSLOEMV-QMMMGPOBSA-N 2 1 192.253 1.373 10 0 ADAEMP C[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccncc1 308642379 573616916 /nfs/dbraw/zinc/61/69/16/573616916.db2.gz DTXYYFNQZNSQMZ-AEJSXWLSSA-N 2 1 193.294 1.468 10 0 ADAEMP C[NH+](C)CC1(NC(=[NH2+])C2CC2)CCC1 393541997 573616920 /nfs/dbraw/zinc/61/69/20/573616920.db2.gz ZLHRVBXQGPVOFE-UHFFFAOYSA-N 2 1 195.310 1.448 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1C[NH2+]CC12CC2 716003648 573616938 /nfs/dbraw/zinc/61/69/38/573616938.db2.gz ACLMRAURBIFSAH-ZJUUUORDSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1C[NH2+]CC12CC2 716003645 573617224 /nfs/dbraw/zinc/61/72/24/573617224.db2.gz ACLMRAURBIFSAH-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1C[NH2+]CC12CC2 716003638 573617243 /nfs/dbraw/zinc/61/72/43/573617243.db2.gz ACLMRAURBIFSAH-NXEZZACHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]2CCC[C@@H]21 107457291 573617253 /nfs/dbraw/zinc/61/72/53/573617253.db2.gz KMFCTHVOCPTMPP-AEJSXWLSSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]C1CCCC1 83762800 573621568 /nfs/dbraw/zinc/62/15/68/573621568.db2.gz GEJGLZVIPFCYOH-UHFFFAOYSA-N 2 1 156.273 1.256 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]Cc1ccccc1 83764320 573621664 /nfs/dbraw/zinc/62/16/64/573621664.db2.gz UWLKYYKAXXSOJN-NSHDSACASA-N 2 1 178.279 1.514 10 0 ADAEMP CC[C@H](C)[NH2+][C@](C)(C[NH3+])C1CC1 83760852 573621742 /nfs/dbraw/zinc/62/17/42/573621742.db2.gz QFBOGQUANVQPEB-WCBMZHEXSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(O)cc1 308658352 573621882 /nfs/dbraw/zinc/62/18/82/573621882.db2.gz OOPSWVKEKKOXBU-RKDXNWHRSA-N 2 1 194.278 1.218 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CCC1CC1 308643784 573621951 /nfs/dbraw/zinc/62/19/51/573621951.db2.gz GIIQDTIYFCDYRH-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@H+](C)C[C@@H]([NH3+])CCSC 393542646 573622028 /nfs/dbraw/zinc/62/20/28/573622028.db2.gz NAYFTOHJNXJSMR-QMMMGPOBSA-N 2 1 176.329 1.019 10 0 ADAEMP CC[N@@H+](C)C[C@@H]([NH3+])CCSC 393542646 573622030 /nfs/dbraw/zinc/62/20/30/573622030.db2.gz NAYFTOHJNXJSMR-QMMMGPOBSA-N 2 1 176.329 1.019 10 0 ADAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H](F)C[NH3+] 238451554 573622121 /nfs/dbraw/zinc/62/21/21/573622121.db2.gz ARNUCGDWZGHCNS-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@@H](F)C[NH3+] 238451554 573622126 /nfs/dbraw/zinc/62/21/26/573622126.db2.gz ARNUCGDWZGHCNS-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@@H]1CC[N@H+](C)C1 257834145 573622230 /nfs/dbraw/zinc/62/22/30/573622230.db2.gz KHPJRQLHHRCDIJ-QMMMGPOBSA-N 2 1 192.253 1.183 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@@H]1CC[N@@H+](C)C1 257834145 573622231 /nfs/dbraw/zinc/62/22/31/573622231.db2.gz KHPJRQLHHRCDIJ-QMMMGPOBSA-N 2 1 192.253 1.183 10 0 ADAEMP C[C@@H]1CC[C@](C[NH3+])([NH2+]CC2CC2)C1 83763755 573625248 /nfs/dbraw/zinc/62/52/48/573625248.db2.gz IUXHLDZJSGUNDT-KOLCDFICSA-N 2 1 182.311 1.504 10 0 ADAEMP [NH3+]C[C@]1([NH2+]C2CCCC2)CCCOC1 83762258 573625296 /nfs/dbraw/zinc/62/52/96/573625296.db2.gz QFNUCBZWJBELMR-LLVKDONJSA-N 2 1 198.310 1.027 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]Cc1ccccc1 83764322 573625427 /nfs/dbraw/zinc/62/54/27/573625427.db2.gz UWLKYYKAXXSOJN-LLVKDONJSA-N 2 1 178.279 1.514 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCC2)CCCC1 83762788 573625676 /nfs/dbraw/zinc/62/56/76/573625676.db2.gz RIPRGCRQPSMHGL-UHFFFAOYSA-N 2 1 182.311 1.790 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@@H]2CCCC[N@H+]21 238453457 573627077 /nfs/dbraw/zinc/62/70/77/573627077.db2.gz CMVNLSXZBYBZKJ-UTLUCORTSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1CCC1 308659778 573627228 /nfs/dbraw/zinc/62/72/28/573627228.db2.gz PLQVOCQGWWLHFR-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCCC[NH2+]C(C)(C)C1 259532889 573627300 /nfs/dbraw/zinc/62/73/00/573627300.db2.gz WDBCFBWZVPOPSB-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](CCC2=[NH+]CCN2)C1 238454412 573627477 /nfs/dbraw/zinc/62/74/77/573627477.db2.gz UEYMRBMTLRJIFY-VHSXEESVSA-N 2 1 195.310 1.109 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+](C2CCCC2)CC1 107463973 573627537 /nfs/dbraw/zinc/62/75/37/573627537.db2.gz FEKFCQBOUVAXPV-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1CCC1 308659783 573627617 /nfs/dbraw/zinc/62/76/17/573627617.db2.gz PLQVOCQGWWLHFR-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@H+](C2CCCC2)CC1 107463970 573628787 /nfs/dbraw/zinc/62/87/87/573628787.db2.gz FEKFCQBOUVAXPV-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@H+]1CCC[C@H](CCC(C)(C)[NH3+])C1 75576762 573628672 /nfs/dbraw/zinc/62/86/72/573628672.db2.gz SZTQIHNIGXTPHQ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@H+]1C[C@@H](C[NH2+]C)CC1(C)C 259534891 573629919 /nfs/dbraw/zinc/62/99/19/573629919.db2.gz WHFJNKZZRYIJPI-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1CCC1 308659791 573629950 /nfs/dbraw/zinc/62/99/50/573629950.db2.gz PLQVOCQGWWLHFR-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1[nH+]c(C2(C)CCC2)[nH]c1CC[NH3+] 259533451 573631615 /nfs/dbraw/zinc/63/16/15/573631615.db2.gz BHHZVPUXRSFKHI-UHFFFAOYSA-N 2 1 193.294 1.661 10 0 ADAEMP CC[C@](C)([NH3+])C[NH2+]Cc1ccsc1 86810364 573631638 /nfs/dbraw/zinc/63/16/38/573631638.db2.gz GKOKDAOAZWQIRZ-JTQLQIEISA-N 2 1 198.335 1.965 10 0 ADAEMP C[N@H+]1CCC[C@@H](CCC(C)(C)[NH3+])C1 75576760 573631646 /nfs/dbraw/zinc/63/16/46/573631646.db2.gz SZTQIHNIGXTPHQ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC([NH3+])(CC)C[NH+](C)C 86814306 573631809 /nfs/dbraw/zinc/63/18/09/573631809.db2.gz KMTWIGUQGBDVBR-UHFFFAOYSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@@](C)([NH3+])CC 86808974 573631895 /nfs/dbraw/zinc/63/18/95/573631895.db2.gz PCFPZRCTJVYXFM-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@](C)([NH3+])CC 86808976 573631919 /nfs/dbraw/zinc/63/19/19/573631919.db2.gz PCFPZRCTJVYXFM-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@H]1C[C@H]1C[NH3+] 715165421 573632007 /nfs/dbraw/zinc/63/20/07/573632007.db2.gz IVIVQPRVDSBTTG-KXNHARMFSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86810718 573634665 /nfs/dbraw/zinc/63/46/65/573634665.db2.gz NSVNRHBLOVIOFK-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@](C)([NH3+])C[NH2+]Cc1ccccc1 86809349 573635007 /nfs/dbraw/zinc/63/50/07/573635007.db2.gz PNBZCQMBGFUVGK-GFCCVEGCSA-N 2 1 192.306 1.904 10 0 ADAEMP C[C@H](CC[NH3+])[C@H]1CCC[N@@H+](C)CC1 96864712 573636647 /nfs/dbraw/zinc/63/66/47/573636647.db2.gz WBNHPRGLMUBRJQ-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CC[C@H](CC2CCC([NH3+])CC2)C1 259148211 573636161 /nfs/dbraw/zinc/63/61/61/573636161.db2.gz NTKSKGUSSKFFBY-MOENNCHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C[NH3+])C(C)(C)C 43295079 573636472 /nfs/dbraw/zinc/63/64/72/573636472.db2.gz YGNOAGOXBDTYNI-SECBINFHSA-N 2 1 195.310 1.991 10 0 ADAEMP C[NH2+]C(C)(C)[C@H](CC(C)C)[NH+](C)C 259538255 573637489 /nfs/dbraw/zinc/63/74/89/573637489.db2.gz NQEVTZXBQHVGNX-JTQLQIEISA-N 2 1 186.343 1.961 10 0 ADAEMP C[N@H+]1CC[C@@H](CC2CCC([NH3+])CC2)C1 259148206 573637671 /nfs/dbraw/zinc/63/76/71/573637671.db2.gz NTKSKGUSSKFFBY-CXQJBGSLSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCCCC2)[C@@H]1CN 257845728 573637815 /nfs/dbraw/zinc/63/78/15/573637815.db2.gz NMOOOQPGUKECRZ-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCCCC2)[C@@H]1C[NH3+] 257845728 573637826 /nfs/dbraw/zinc/63/78/26/573637826.db2.gz NMOOOQPGUKECRZ-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)[C@H](CC[NH3+])CC[N@H+]1C1CC1 259536786 573640271 /nfs/dbraw/zinc/64/02/71/573640271.db2.gz WJEUUIWDGKLGST-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)C1(C)C 259536418 573640367 /nfs/dbraw/zinc/64/03/67/573640367.db2.gz WHNMCRNBVUPWQW-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP [NH3+]C[C@]1(F)CC[N@H+](C2CCCC2)C1 259538718 573640436 /nfs/dbraw/zinc/64/04/36/573640436.db2.gz BQNGPRMYDSLRGE-SNVBAGLBSA-N 2 1 186.274 1.302 10 0 ADAEMP [NH3+]C[C@@]1(F)CC[N@H+](C2CCCC2)C1 259538709 573640541 /nfs/dbraw/zinc/64/05/41/573640541.db2.gz BQNGPRMYDSLRGE-JTQLQIEISA-N 2 1 186.274 1.302 10 0 ADAEMP C[NH2+][C@H]1C[N@H+](C2CC2)C(C)(C)C1 259537843 573640745 /nfs/dbraw/zinc/64/07/45/573640745.db2.gz WKTFRZVLIWVOCO-MRVPVSSYSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1C[N@@H+](C2CC2)C(C)(C)C1 259537843 573640750 /nfs/dbraw/zinc/64/07/50/573640750.db2.gz WKTFRZVLIWVOCO-MRVPVSSYSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCCC1(C)C 86846828 573642996 /nfs/dbraw/zinc/64/29/96/573642996.db2.gz SEGJJAPQNCCZGC-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP [NH3+]C1CC(Nc2cc[nH+]cc2Cl)C1 86839699 573643040 /nfs/dbraw/zinc/64/30/40/573643040.db2.gz RAELSPIXKVAYBZ-UHFFFAOYSA-N 2 1 197.669 1.637 10 0 ADAEMP C[C@@H]([NH3+])CN(C)c1cc[nH+]cc1Cl 86841326 573643052 /nfs/dbraw/zinc/64/30/52/573643052.db2.gz WXIPQMRMPQJGJX-SSDOTTSWSA-N 2 1 199.685 1.518 10 0 ADAEMP [NH3+][C@H]1C[C@@H]1Nc1cc[nH+]cc1Cl 86839679 573643163 /nfs/dbraw/zinc/64/31/63/573643163.db2.gz XHFCHYUTWVMKGM-XPUUQOCRSA-N 2 1 183.642 1.247 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCCC1(C)C 86846834 573643175 /nfs/dbraw/zinc/64/31/75/573643175.db2.gz SEGJJAPQNCCZGC-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C(F)(F)CN)C1 257839117 573643217 /nfs/dbraw/zinc/64/32/17/573643217.db2.gz LNDYGJQNVUPSRN-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP CC[N@@H+]1CCC[C@@H](C(F)(F)C[NH3+])C1 257839117 573643219 /nfs/dbraw/zinc/64/32/19/573643219.db2.gz LNDYGJQNVUPSRN-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C(F)(F)C[NH3+])C1 257839117 573643220 /nfs/dbraw/zinc/64/32/20/573643220.db2.gz LNDYGJQNVUPSRN-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP C[C@@H]1C[C@H]([C@H]2CCC[N@@H+](C)C2)[NH2+]1 259149902 573643441 /nfs/dbraw/zinc/64/34/41/573643441.db2.gz KHDMGYNTDLNCEL-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP [NH3+][C@H]1C[C@H]1Nc1cc[nH+]cc1Cl 86839676 573643452 /nfs/dbraw/zinc/64/34/52/573643452.db2.gz XHFCHYUTWVMKGM-POYBYMJQSA-N 2 1 183.642 1.247 10 0 ADAEMP C[NH2+][C@@H](C)CCc1c[nH+]ccc1OC 308654542 573647293 /nfs/dbraw/zinc/64/72/93/573647293.db2.gz MPMDJLWSCUSKLL-VIFPVBQESA-N 2 1 194.278 1.631 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@H](CC(C)(F)F)C1 259541118 573647296 /nfs/dbraw/zinc/64/72/96/573647296.db2.gz BTUDHQGRHWHNTC-SFYZADRCSA-N 2 1 192.253 1.168 10 0 ADAEMP NCC[NH+]1CCC2(CCC2)CC1 107780593 573647383 /nfs/dbraw/zinc/64/73/83/573647383.db2.gz MTVWJHLJZYRJLP-UHFFFAOYSA-N 2 1 168.284 1.211 10 0 ADAEMP [NH3+]CC[NH+]1CCC2(CCC2)CC1 107780593 573647387 /nfs/dbraw/zinc/64/73/87/573647387.db2.gz MTVWJHLJZYRJLP-UHFFFAOYSA-N 2 1 168.284 1.211 10 0 ADAEMP CC(C)c1[nH]cc(C[C@@H]2CC[NH2+]C2)[nH+]1 257840306 573647504 /nfs/dbraw/zinc/64/75/04/573647504.db2.gz LWTIQXFYACQHJQ-VIFPVBQESA-N 2 1 193.294 1.685 10 0 ADAEMP Cc1cccc(C[NH2+]C[C@H](C)[NH3+])c1 258829242 573647526 /nfs/dbraw/zinc/64/75/26/573647526.db2.gz VCPZSHQCZFXDLV-JTQLQIEISA-N 2 1 178.279 1.432 10 0 ADAEMP C[N@H+](CCc1ccc[nH]1)CC(C)(C)[NH3+] 258834769 573647603 /nfs/dbraw/zinc/64/76/03/573647603.db2.gz MMYHRLSSKCPQLJ-UHFFFAOYSA-N 2 1 195.310 1.226 10 0 ADAEMP C[N@@H+](CCc1ccc[nH]1)CC(C)(C)[NH3+] 258834769 573647611 /nfs/dbraw/zinc/64/76/11/573647611.db2.gz MMYHRLSSKCPQLJ-UHFFFAOYSA-N 2 1 195.310 1.226 10 0 ADAEMP Cc1cccc(C[NH2+]C[C@@H](C)[NH3+])c1 258829245 573647774 /nfs/dbraw/zinc/64/77/74/573647774.db2.gz VCPZSHQCZFXDLV-SNVBAGLBSA-N 2 1 178.279 1.432 10 0 ADAEMP CC(C)C[N@@H+](C)C(C)(C)CC[NH3+] 258828602 573647796 /nfs/dbraw/zinc/64/77/96/573647796.db2.gz MCGQRCGFWWMJKR-UHFFFAOYSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](C)C2)[NH2+]1 259149904 573647912 /nfs/dbraw/zinc/64/79/12/573647912.db2.gz KHDMGYNTDLNCEL-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CCCc1c[nH]c(CC(C)(C)C[NH3+])[nH+]1 259149990 573648989 /nfs/dbraw/zinc/64/89/89/573648989.db2.gz SPKZCTNAXROWOF-UHFFFAOYSA-N 2 1 195.310 1.890 10 0 ADAEMP C[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](C)C2)[NH2+]1 259149907 573649273 /nfs/dbraw/zinc/64/92/73/573649273.db2.gz KHDMGYNTDLNCEL-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP CC1(C)C[NH2+][C@@H](CC[NH+]2CCCC2)O1 258837426 573651862 /nfs/dbraw/zinc/65/18/62/573651862.db2.gz ZHVDWHBOESLVIT-SNVBAGLBSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@H]([NH3+])Cc1cc[nH+]c(N)c1 83808235 573651893 /nfs/dbraw/zinc/65/18/93/573651893.db2.gz HHWQFHHWCLESTO-FKTZTGRPSA-N 2 1 191.278 1.190 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)[C@H]1C[C@@H]1C 83808914 573651974 /nfs/dbraw/zinc/65/19/74/573651974.db2.gz BMHGTPWTBWFXSN-LAEOZQHASA-N 2 1 191.278 1.580 10 0 ADAEMP CC[N@H+]1CC[C@H](CC[NH3+])CC1(C)C 259543759 573653556 /nfs/dbraw/zinc/65/35/56/573653556.db2.gz WWWLKYYUSJLGGO-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH+](C)[C@H]1CCC(C)(C)[C@H]1[NH3+] 86855995 573653558 /nfs/dbraw/zinc/65/35/58/573653558.db2.gz DCDXGDIUSGOYKK-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCC2([NH3+])CCC2)C1 86853802 573652914 /nfs/dbraw/zinc/65/29/14/573652914.db2.gz DJECRDUVZJLGTR-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[N@@H+](C)CCC1([NH3+])CCC1 86853831 573652972 /nfs/dbraw/zinc/65/29/72/573652972.db2.gz FOXJVWRDESEXIN-UHFFFAOYSA-N 2 1 156.273 1.210 10 0 ADAEMP CC1(C)C[NH2+][C@H](CC[NH+]2CCCC2)O1 258837416 573653026 /nfs/dbraw/zinc/65/30/26/573653026.db2.gz ZHVDWHBOESLVIT-JTQLQIEISA-N 2 1 198.310 1.197 10 0 ADAEMP CC(C)C(C)(C)C[NH2+]C(C)(C)C[NH3+] 258837866 573653265 /nfs/dbraw/zinc/65/32/65/573653265.db2.gz MRVSBOLEPDQJHS-UHFFFAOYSA-N 2 1 186.343 1.996 10 0 ADAEMP C[NH2+]CC[NH2+]CC(C)(C)c1ccc[nH]1 258836987 573653312 /nfs/dbraw/zinc/65/33/12/573653312.db2.gz VTAXFPNUEOUFQE-UHFFFAOYSA-N 2 1 195.310 1.101 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](CC[NH3+])C(F)F)C1 259543312 573653498 /nfs/dbraw/zinc/65/34/98/573653498.db2.gz BZLUCDUDHLARNS-SFYZADRCSA-N 2 1 192.253 1.168 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86856086 573654921 /nfs/dbraw/zinc/65/49/21/573654921.db2.gz OMFQWZHQCOJUCC-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@H+](C)[C@H]1CCC(C)(C)[C@@H]1[NH2+]C 86856096 573655194 /nfs/dbraw/zinc/65/51/94/573655194.db2.gz HDAJXIJHPDUXHZ-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC(C)(C)[C@@H]1[NH2+]C 86856096 573655202 /nfs/dbraw/zinc/65/52/02/573655202.db2.gz HDAJXIJHPDUXHZ-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)(C)[NH2+]C[C@@]1(F)CCC[NH2+]C1 257841590 573655360 /nfs/dbraw/zinc/65/53/60/573655360.db2.gz MHHLWURVWJRMSD-SNVBAGLBSA-N 2 1 188.290 1.466 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C1([NH3+])CCCCC1 258083658 573655471 /nfs/dbraw/zinc/65/54/71/573655471.db2.gz QZOGBFHQLFEJBS-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@@H]1[NH2+]CCCO1 258851524 573657133 /nfs/dbraw/zinc/65/71/33/573657133.db2.gz ZZBVLIZENVYOSA-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP Cc1cn2c([nH+]1)[C@@H](C)C[C@@H]([NH3+])C2 107827797 573657188 /nfs/dbraw/zinc/65/71/88/573657188.db2.gz XPRHETWMAAMPAV-POYBYMJQSA-N 2 1 165.240 1.026 10 0 ADAEMP C[NH2+][C@H]1[C@@H]([N@H+](C)C2CC2)CCC1(C)C 86856127 573657211 /nfs/dbraw/zinc/65/72/11/573657211.db2.gz MGVLUDMBMLKEFT-QWRGUYRKSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@H]1[C@@H]([N@@H+](C)C2CC2)CCC1(C)C 86856127 573657217 /nfs/dbraw/zinc/65/72/17/573657217.db2.gz MGVLUDMBMLKEFT-QWRGUYRKSA-N 2 1 196.338 1.857 10 0 ADAEMP Cc1cn2c([nH+]1)[C@@H](C)C[C@H]([NH3+])C2 107827791 573657307 /nfs/dbraw/zinc/65/73/07/573657307.db2.gz XPRHETWMAAMPAV-XPUUQOCRSA-N 2 1 165.240 1.026 10 0 ADAEMP C[NH2+]CC/C=C\[C@H]1CCC[N@H+]1C 258081085 573657308 /nfs/dbraw/zinc/65/73/08/573657308.db2.gz FXMZNNTYHDSSTK-NWPZZWLHSA-N 2 1 168.284 1.246 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)Cc1cc[nH]c1 258850415 573657346 /nfs/dbraw/zinc/65/73/46/573657346.db2.gz HVMZZUBIKHRUHZ-JTQLQIEISA-N 2 1 195.310 1.574 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC1([NH3+])CCC1 86853889 573657353 /nfs/dbraw/zinc/65/73/53/573657353.db2.gz MFFTWBKRGKVNNP-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)c1cn2c([nH+]1)CC[C@@H]([NH3+])[C@@H]2C 107825482 573657402 /nfs/dbraw/zinc/65/74/02/573657402.db2.gz YXICRNRNDFQHEZ-DTWKUNHWSA-N 2 1 193.294 1.841 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CCc2[nH+]c3c(n21)CCC3 107828762 573657429 /nfs/dbraw/zinc/65/74/29/573657429.db2.gz VEUOZJFXAWSGBG-JGVFFNPUSA-N 2 1 191.278 1.206 10 0 ADAEMP C[N@H+]1CCC[C@H]1C1([NH3+])CCCCC1 258083655 573657448 /nfs/dbraw/zinc/65/74/48/573657448.db2.gz QZOGBFHQLFEJBS-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC2([NH3+])CCC2)C1 86853917 573657528 /nfs/dbraw/zinc/65/75/28/573657528.db2.gz RIIBTDKIQDEZHZ-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[NH+](C)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86855998 573657593 /nfs/dbraw/zinc/65/75/93/573657593.db2.gz DCDXGDIUSGOYKK-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP CCc1[nH+]c2n(c1C)C[C@H]([NH3+])C[C@H]2C 107824544 573657644 /nfs/dbraw/zinc/65/76/44/573657644.db2.gz TYRWHRSTFYKURW-VXNVDRBHSA-N 2 1 193.294 1.588 10 0 ADAEMP C[NH2+][C@@H]1[C@H]([NH+](C)C)CCC1(C)C 86856014 573657653 /nfs/dbraw/zinc/65/76/53/573657653.db2.gz QALXDQDCERXRIU-RKDXNWHRSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[N@@H+]1CC=C([C@H](C)[NH3+])CC1 258082002 573657687 /nfs/dbraw/zinc/65/76/87/573657687.db2.gz MYELOJUUAGBDEW-VIFPVBQESA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)C[C@@]1(C[NH3+])CCC[NH2+]1 258508169 573657693 /nfs/dbraw/zinc/65/76/93/573657693.db2.gz BKQNYMVBHSGEFO-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC(C)(C)[C@H]1[NH3+] 86856689 573657702 /nfs/dbraw/zinc/65/77/02/573657702.db2.gz QLXPROZUEZAOBI-ZJUUUORDSA-N 2 1 193.294 1.880 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC(C)(C)[C@H]1[NH3+] 86856690 573657724 /nfs/dbraw/zinc/65/77/24/573657724.db2.gz QLXPROZUEZAOBI-UWVGGRQHSA-N 2 1 193.294 1.880 10 0 ADAEMP CCc1[nH+]c2n(c1C)C[C@@H]([NH3+])C[C@@H]2C 107824540 573657792 /nfs/dbraw/zinc/65/77/92/573657792.db2.gz TYRWHRSTFYKURW-CBAPKCEASA-N 2 1 193.294 1.588 10 0 ADAEMP C[N@@H+]1CCCC[C@H]1C[C@H]1[NH2+]CCCO1 258851523 573657840 /nfs/dbraw/zinc/65/78/40/573657840.db2.gz ZZBVLIZENVYOSA-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@H]1[NH2+]CCCO1 258851523 573657842 /nfs/dbraw/zinc/65/78/42/573657842.db2.gz ZZBVLIZENVYOSA-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@@H+]1CCCC[C@H]1C[C@@H]1[NH2+]CCCO1 258851524 573657128 /nfs/dbraw/zinc/65/71/28/573657128.db2.gz ZZBVLIZENVYOSA-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP C[NH2+]CC/C=C\C[C@H]1CCC[N@@H+](C)C1 258080961 573658866 /nfs/dbraw/zinc/65/88/66/573658866.db2.gz FWFYLWSAYKREAZ-MVZIDQBPSA-N 2 1 196.338 1.884 10 0 ADAEMP C[N@@H+](CC1(C[NH3+])CCC1)C(C)(C)C 258851148 573658874 /nfs/dbraw/zinc/65/88/74/573658874.db2.gz FZJLBHARGXSLDJ-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC1(C)CCC[C@]1(C[NH3+])[NH2+]C1CC1 86865807 573658896 /nfs/dbraw/zinc/65/88/96/573658896.db2.gz YJILLBRGEXDSNQ-LLVKDONJSA-N 2 1 182.311 1.646 10 0 ADAEMP Cc1[nH+]c2n(c1C)C[C@H]([NH3+])C[C@@H]2C 107824592 573658139 /nfs/dbraw/zinc/65/81/39/573658139.db2.gz YRAPLBFAUWOSIQ-IMTBSYHQSA-N 2 1 179.267 1.334 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])Cn2c1[nH+]c1c2CCC1 107828828 573658173 /nfs/dbraw/zinc/65/81/73/573658173.db2.gz WHNPLYRMMVIKBV-SFYZADRCSA-N 2 1 191.278 1.206 10 0 ADAEMP C[NH2+]CC[C@H](F)[C@H]1CCC[N@@H+](C)C1 257842803 573658185 /nfs/dbraw/zinc/65/81/85/573658185.db2.gz MSNHJOWEFRZLCW-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])Cn2c1[nH+]c1c2CCC1 107828834 573658218 /nfs/dbraw/zinc/65/82/18/573658218.db2.gz WHNPLYRMMVIKBV-JGVFFNPUSA-N 2 1 191.278 1.206 10 0 ADAEMP Cc1cn2c([nH+]1)[C@H](C)C[C@H]([NH3+])C2 107827789 573658233 /nfs/dbraw/zinc/65/82/33/573658233.db2.gz XPRHETWMAAMPAV-SVRRBLITSA-N 2 1 165.240 1.026 10 0 ADAEMP C[C@H](CC[NH3+])C[N@@H+](C)Cc1cc[nH]c1 258850286 573658391 /nfs/dbraw/zinc/65/83/91/573658391.db2.gz HTBVBLOHQMWABS-SNVBAGLBSA-N 2 1 195.310 1.431 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@@]2(C)[NH2+][C@H](C)CO2)C1 258851533 573658737 /nfs/dbraw/zinc/65/87/37/573658737.db2.gz ZZESMNCFFHIPPJ-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CCc2[nH+]c3c(n21)CCC3 107828764 573658738 /nfs/dbraw/zinc/65/87/38/573658738.db2.gz VEUOZJFXAWSGBG-SFYZADRCSA-N 2 1 191.278 1.206 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@]2(C)[NH2+][C@H](C)CO2)C1 258851533 573658744 /nfs/dbraw/zinc/65/87/44/573658744.db2.gz ZZESMNCFFHIPPJ-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@@H+](C)Cc1cc[nH]c1 258850282 573659102 /nfs/dbraw/zinc/65/91/02/573659102.db2.gz HTBVBLOHQMWABS-JTQLQIEISA-N 2 1 195.310 1.431 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@@H+](C)C(C)(C)C 258845505 573659139 /nfs/dbraw/zinc/65/91/39/573659139.db2.gz HLIIZOVCZATJRA-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]CC[C@@H](F)[C@@H]1CCC[N@@H+](C)C1 257842802 573659253 /nfs/dbraw/zinc/65/92/53/573659253.db2.gz MSNHJOWEFRZLCW-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H](CC[NH3+])C[N@@H+](C)C(C)(C)C 258845502 573659304 /nfs/dbraw/zinc/65/93/04/573659304.db2.gz HLIIZOVCZATJRA-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)(C)CC[NH2+]C(C)(C)C[NH3+] 258853499 573659348 /nfs/dbraw/zinc/65/93/48/573659348.db2.gz NYYCSAMPTXDNDD-UHFFFAOYSA-N 2 1 172.316 1.750 10 0 ADAEMP Cc1cn2c([nH+]1)CC[C@H]([NH3+])[C@@H]2C 107825466 573659355 /nfs/dbraw/zinc/65/93/55/573659355.db2.gz QFDRSVHGXIGOLX-YUMQZZPRSA-N 2 1 165.240 1.026 10 0 ADAEMP CC(C)c1cn2c([nH+]1)CC[C@H]([NH3+])[C@@H]2C 107825487 573659367 /nfs/dbraw/zinc/65/93/67/573659367.db2.gz YXICRNRNDFQHEZ-IUCAKERBSA-N 2 1 193.294 1.841 10 0 ADAEMP CCc1[nH+]c2n(c1C)C[C@@H]([NH3+])C[C@H]2C 107824538 573659454 /nfs/dbraw/zinc/65/94/54/573659454.db2.gz TYRWHRSTFYKURW-APPZFPTMSA-N 2 1 193.294 1.588 10 0 ADAEMP Cc1[nH+]c2n(c1C)C[C@H]([NH3+])C[C@H]2C 107824588 573659497 /nfs/dbraw/zinc/65/94/97/573659497.db2.gz YRAPLBFAUWOSIQ-HZGVNTEJSA-N 2 1 179.267 1.334 10 0 ADAEMP Cc1[nH]c(C(C)(C)CC[NH3+])[nH+]c1C 258509751 573659555 /nfs/dbraw/zinc/65/95/55/573659555.db2.gz FRVLNFOFSHWVNX-UHFFFAOYSA-N 2 1 181.283 1.653 10 0 ADAEMP CC1(C)CCC[C@@]1(C[NH3+])[NH2+]C1CC1 86865806 573659569 /nfs/dbraw/zinc/65/95/69/573659569.db2.gz YJILLBRGEXDSNQ-NSHDSACASA-N 2 1 182.311 1.646 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCCC1(C)C 86865797 573659665 /nfs/dbraw/zinc/65/96/65/573659665.db2.gz PZAQTBUFYVYUQM-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP CC(C)c1cn2c([nH+]1)CC[C@H]([NH3+])[C@H]2C 107825484 573662757 /nfs/dbraw/zinc/66/27/57/573662757.db2.gz YXICRNRNDFQHEZ-BDAKNGLRSA-N 2 1 193.294 1.841 10 0 ADAEMP Cc1[nH+]c2n(c1C)C[C@@H]([NH3+])C[C@H]2C 107824579 573662841 /nfs/dbraw/zinc/66/28/41/573662841.db2.gz YRAPLBFAUWOSIQ-MUWHJKNJSA-N 2 1 179.267 1.334 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)CCC1CC1 308410419 573662875 /nfs/dbraw/zinc/66/28/75/573662875.db2.gz OBIWRDJUSSVCKI-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC1(C)CCC[C@@]1(C[NH3+])[NH2+]CC1CC1 86865957 573663000 /nfs/dbraw/zinc/66/30/00/573663000.db2.gz KNMIDOJSLFWXDK-LBPRGKRZSA-N 2 1 196.338 1.894 10 0 ADAEMP CCc1[nH+]c2n(c1C)[C@H](C)[C@@H]([NH3+])CC2 107824895 573663002 /nfs/dbraw/zinc/66/30/02/573663002.db2.gz FQGIJKZVUPIEHX-APPZFPTMSA-N 2 1 193.294 1.588 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)CCc1cc[nH]c1 258857280 573663095 /nfs/dbraw/zinc/66/30/95/573663095.db2.gz YDADPKKBVOPHGT-JTQLQIEISA-N 2 1 195.310 1.084 10 0 ADAEMP Cc1[nH+]c2n(c1C)C[C@@H]([NH3+])C[C@@H]2C 107824581 573663144 /nfs/dbraw/zinc/66/31/44/573663144.db2.gz YRAPLBFAUWOSIQ-RCOVLWMOSA-N 2 1 179.267 1.334 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](C)Cc1ccc[nH]1 258861452 573663284 /nfs/dbraw/zinc/66/32/84/573663284.db2.gz IUBYZLCTPGDFEW-JTQLQIEISA-N 2 1 195.310 1.431 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccc[nH]1 258861456 573663450 /nfs/dbraw/zinc/66/34/50/573663450.db2.gz IUBYZLCTPGDFEW-SNVBAGLBSA-N 2 1 195.310 1.431 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86871232 573665195 /nfs/dbraw/zinc/66/51/95/573665195.db2.gz WAXBHAWSLPLSEC-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP CCCc1[nH]c2c([nH+]1)C[C@@H](C[NH3+])CC2 257844183 573665251 /nfs/dbraw/zinc/66/52/51/573665251.db2.gz AEFLHYSOBQMZOH-QMMMGPOBSA-N 2 1 193.294 1.426 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1cc[nH]c1 258857410 573665381 /nfs/dbraw/zinc/66/53/81/573665381.db2.gz YEZRTPYDOMRTEG-VIFPVBQESA-N 2 1 181.283 1.041 10 0 ADAEMP C[NH2+]CC(F)(F)C1CC[NH+](C)CC1 257846619 573667594 /nfs/dbraw/zinc/66/75/94/573667594.db2.gz NUHAIOIIOHLWMC-UHFFFAOYSA-N 2 1 192.253 1.183 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+]CCc1ccc[nH]1 258865096 573667287 /nfs/dbraw/zinc/66/72/87/573667287.db2.gz KMICECYQHCZXRP-UHFFFAOYSA-N 2 1 195.310 1.145 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)CCc1cc[nH]c1 258857282 573667446 /nfs/dbraw/zinc/66/74/46/573667446.db2.gz YDADPKKBVOPHGT-SNVBAGLBSA-N 2 1 195.310 1.084 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1cc[nH]c1 258857409 573667976 /nfs/dbraw/zinc/66/79/76/573667976.db2.gz YEZRTPYDOMRTEG-SECBINFHSA-N 2 1 181.283 1.041 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@@H+](C)CCC1CC1 308661752 573668268 /nfs/dbraw/zinc/66/82/68/573668268.db2.gz QGSXRBQNNKIUNC-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)Cc1ccc[nH]1 258869433 573675741 /nfs/dbraw/zinc/67/57/41/573675741.db2.gz BEKPIVXOZLQTLD-SNVBAGLBSA-N 2 1 195.310 1.431 10 0 ADAEMP C[C@H]1C[N@H+](Cc2ccoc2)CC[C@@H]1[NH3+] 86884192 573676104 /nfs/dbraw/zinc/67/61/04/573676104.db2.gz RPXGKSOXAFOGAW-ONGXEEELSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1 107955522 573676108 /nfs/dbraw/zinc/67/61/08/573676108.db2.gz GBZMKMLKUBLFIL-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1C[N@@H+](Cc2ccoc2)CC[C@@H]1[NH3+] 86884192 573676110 /nfs/dbraw/zinc/67/61/10/573676110.db2.gz RPXGKSOXAFOGAW-ONGXEEELSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@@H](C[N@H+](C)CCC1CC1)[NH2+]C 308413579 573678587 /nfs/dbraw/zinc/67/85/87/573678587.db2.gz PPZBFEJVIFQGDT-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C[N@@H+](C)CCC1CC1)[NH2+]C 308413579 573678594 /nfs/dbraw/zinc/67/85/94/573678594.db2.gz PPZBFEJVIFQGDT-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](CCC2=[NH+]CCN2)C1 238468726 573679138 /nfs/dbraw/zinc/67/91/38/573679138.db2.gz UEYMRBMTLRJIFY-UWVGGRQHSA-N 2 1 195.310 1.109 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CC2)C1 259617443 573679190 /nfs/dbraw/zinc/67/91/90/573679190.db2.gz DZXCEMGGKHMOBT-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C1CC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)C1 83838547 573681474 /nfs/dbraw/zinc/68/14/74/573681474.db2.gz VNCZKISZCFBZAL-NWDGAFQWSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]23)C1 83838547 573681480 /nfs/dbraw/zinc/68/14/80/573681480.db2.gz VNCZKISZCFBZAL-NWDGAFQWSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C)C1 108018339 573681779 /nfs/dbraw/zinc/68/17/79/573681779.db2.gz OPTRFXYFMVDDKD-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C)C1 108018339 573681785 /nfs/dbraw/zinc/68/17/85/573681785.db2.gz OPTRFXYFMVDDKD-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]CC(F)(F)[C@@H]1CCC[N@H+](C)C1 257847244 573681833 /nfs/dbraw/zinc/68/18/33/573681833.db2.gz NYGYXKFUPLIWKK-MRVPVSSYSA-N 2 1 192.253 1.183 10 0 ADAEMP C[NH2+]CC(F)(F)[C@@H]1CCC[N@@H+](C)C1 257847244 573681839 /nfs/dbraw/zinc/68/18/39/573681839.db2.gz NYGYXKFUPLIWKK-MRVPVSSYSA-N 2 1 192.253 1.183 10 0 ADAEMP [NH3+]C[C@]1(c2ccccc2)CCC[NH2+]1 258092343 573685375 /nfs/dbraw/zinc/68/53/75/573685375.db2.gz IPUNFMORXOVGOZ-NSHDSACASA-N 2 1 176.263 1.224 10 0 ADAEMP C[N@@H+](CCC1CCC1)CC1C[NH2+]C1 258879479 573685492 /nfs/dbraw/zinc/68/54/92/573685492.db2.gz KHQWOCURVUKIAB-UHFFFAOYSA-N 2 1 182.311 1.328 10 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573687388 /nfs/dbraw/zinc/68/73/88/573687388.db2.gz FVQOJPHXOGQISA-NSHDSACASA-N 2 1 198.354 1.949 10 0 ADAEMP CC[N@H+]1CCC[NH2+]CC[C@@H]1C 259170061 573687423 /nfs/dbraw/zinc/68/74/23/573687423.db2.gz AOTUDYUIFSVOCO-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CO[C@H](C)C[N@@H+](C)CCC[C@H](C)[NH3+] 393548505 573687439 /nfs/dbraw/zinc/68/74/39/573687439.db2.gz RJTIZNHVUOZMBP-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CCCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 258882208 573687548 /nfs/dbraw/zinc/68/75/48/573687548.db2.gz GPMDGVXGPCIBTD-JTQLQIEISA-N 2 1 184.327 1.764 10 0 ADAEMP CCCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 258882210 573687565 /nfs/dbraw/zinc/68/75/65/573687565.db2.gz GPMDGVXGPCIBTD-SNVBAGLBSA-N 2 1 184.327 1.764 10 0 ADAEMP CC(=[NH2+])NC1C[C@@H]2CCC[C@H](C1)[N@H+]2C 83847160 573687591 /nfs/dbraw/zinc/68/75/91/573687591.db2.gz WBGWOZWIJLBVOH-FGWVZKOKSA-N 2 1 195.310 1.588 10 0 ADAEMP CSC[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259170322 573687635 /nfs/dbraw/zinc/68/76/35/573687635.db2.gz OGQPUMNGXTXIKS-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H](C(C)(C)C)CC1 214951458 573690539 /nfs/dbraw/zinc/69/05/39/573690539.db2.gz GRXKOGWYISBDRL-MNOVXSKESA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)[NH3+] 259162013 573690610 /nfs/dbraw/zinc/69/06/10/573690610.db2.gz BXPQLXOGTMVLMB-NSHDSACASA-N 2 1 192.306 1.993 10 0 ADAEMP C[NH2+][C@H](c1cccc(C)c1)C(C)(C)[NH3+] 259162011 573690661 /nfs/dbraw/zinc/69/06/61/573690661.db2.gz BXPQLXOGTMVLMB-LLVKDONJSA-N 2 1 192.306 1.993 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 308421275 573690813 /nfs/dbraw/zinc/69/08/13/573690813.db2.gz ZFLRDGQEFATMFD-KRURLVKSSA-N 2 1 194.322 1.636 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 308421275 573690815 /nfs/dbraw/zinc/69/08/15/573690815.db2.gz ZFLRDGQEFATMFD-KRURLVKSSA-N 2 1 194.322 1.636 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC1(C2CC2)CCC1 393646324 573690916 /nfs/dbraw/zinc/69/09/16/573690916.db2.gz HQLCSODPRFPKHA-JTQLQIEISA-N 2 1 196.338 1.764 10 0 ADAEMP CC(C)[NH2+]CC[N@H+](C)C(C)(C)C 258883329 573691009 /nfs/dbraw/zinc/69/10/09/573691009.db2.gz KPWUZGXONZJBKE-UHFFFAOYSA-N 2 1 172.316 1.715 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+](C)C(C)(C)C 258883329 573691011 /nfs/dbraw/zinc/69/10/11/573691011.db2.gz KPWUZGXONZJBKE-UHFFFAOYSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[N@H+]1CCN2CCC1CC2 224979120 573691126 /nfs/dbraw/zinc/69/11/26/573691126.db2.gz PJXVEGJYPOGBJU-UHFFFAOYSA-N 2 1 168.284 1.176 10 0 ADAEMP CCCN1CC[NH+]2CCC1CC2 224979120 573691129 /nfs/dbraw/zinc/69/11/29/573691129.db2.gz PJXVEGJYPOGBJU-UHFFFAOYSA-N 2 1 168.284 1.176 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+]1CC[C@H]2CCC[C@H]21 393550727 573691783 /nfs/dbraw/zinc/69/17/83/573691783.db2.gz JBTICGCHKYBOPY-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+]1CC[C@H]2CCC[C@H]21 393550727 573691790 /nfs/dbraw/zinc/69/17/90/573691790.db2.gz JBTICGCHKYBOPY-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+]1CC[C@H]2CCC[C@@H]21 393550733 573692430 /nfs/dbraw/zinc/69/24/30/573692430.db2.gz JBTICGCHKYBOPY-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+]1CC[C@H]2CCC[C@@H]21 393550733 573692436 /nfs/dbraw/zinc/69/24/36/573692436.db2.gz JBTICGCHKYBOPY-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H](C)C[NH+](C)C 130746761 573692166 /nfs/dbraw/zinc/69/21/66/573692166.db2.gz CHBDXVRNWAOQNE-QMMMGPOBSA-N 2 1 171.288 1.159 10 0 ADAEMP CCCC(=[NH2+])N[C@H](C)C[NH+](C)C 130745267 573692284 /nfs/dbraw/zinc/69/22/84/573692284.db2.gz VDZZWBOXKVDBFV-MRVPVSSYSA-N 2 1 171.288 1.303 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](C[NH3+])c2cc[nH]c2)C1 259162740 573693188 /nfs/dbraw/zinc/69/31/88/573693188.db2.gz NVUNQYJNYQTAMQ-GHMZBOCLSA-N 2 1 193.294 1.009 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H](C[NH3+])c2cc[nH]c2)C1 259162741 573693264 /nfs/dbraw/zinc/69/32/64/573693264.db2.gz NVUNQYJNYQTAMQ-MNOVXSKESA-N 2 1 193.294 1.009 10 0 ADAEMP CC(C)C[C@]1(C[NH3+])CCCC[NH2+]1 258882007 573693324 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OXLVGWAJDBYEAC-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+](C)CCC1CC1 308418758 573694749 /nfs/dbraw/zinc/69/47/49/573694749.db2.gz RTNRWQNDGNRHSS-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC(=[NH2+])N[C@@H](C)C[NH+](C)C 130745038 573694856 /nfs/dbraw/zinc/69/48/56/573694856.db2.gz VDZZWBOXKVDBFV-QMMMGPOBSA-N 2 1 171.288 1.303 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@](C)(F)CC[NH3+])C1 257851156 573694984 /nfs/dbraw/zinc/69/49/84/573694984.db2.gz OXLVGWAJDBYEAC-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](CCC2CC2)C1 83912922 573696157 /nfs/dbraw/zinc/69/61/57/573696157.db2.gz ZMUGVMUTCAHFNV-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](CCC2CC2)C1 83912922 573696158 /nfs/dbraw/zinc/69/61/58/573696158.db2.gz ZMUGVMUTCAHFNV-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CC1 83895160 573696549 /nfs/dbraw/zinc/69/65/49/573696549.db2.gz UANVJTAMOBNVNN-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP 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573702477 /nfs/dbraw/zinc/70/24/77/573702477.db2.gz VTLBAGFHNKIIJI-WDEREUQCSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC[C@@H]2C[N@H+]3CCC[C@H]3C[NH2+][C@H]2C1 237998989 573702691 /nfs/dbraw/zinc/70/26/91/573702691.db2.gz DLFBVQFXYDOVFO-WOPDTQHZSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH2+]Cc1cnc([C@@H]2CCC[N@@H+]2C)o1 258099578 573702711 /nfs/dbraw/zinc/70/27/11/573702711.db2.gz NJZNBDQTPJGYED-VIFPVBQESA-N 2 1 195.266 1.161 10 0 ADAEMP C[NH2+]Cc1cnc([C@@H]2CCC[N@H+]2C)o1 258099578 573702716 /nfs/dbraw/zinc/70/27/16/573702716.db2.gz NJZNBDQTPJGYED-VIFPVBQESA-N 2 1 195.266 1.161 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C)C1(C)C 259558977 573704361 /nfs/dbraw/zinc/70/43/61/573704361.db2.gz XSNFKWJDIYDQKG-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](C)C1(C)C 259558977 573704363 /nfs/dbraw/zinc/70/43/63/573704363.db2.gz XSNFKWJDIYDQKG-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccoc1 130766659 573703745 /nfs/dbraw/zinc/70/37/45/573703745.db2.gz IEKYFVXDYWYHTL-VIFPVBQESA-N 2 1 182.267 1.225 10 0 ADAEMP CC[N@H+](C)[C@]1(C[NH3+])CS[C@@H](C)C1 86936599 573703912 /nfs/dbraw/zinc/70/39/12/573703912.db2.gz BNXPUASRBBRSDE-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[N@@H+](C)[C@]1(C[NH3+])CS[C@@H](C)C1 86936599 573703916 /nfs/dbraw/zinc/70/39/16/573703916.db2.gz BNXPUASRBBRSDE-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CCC[C@H](C[NH2+]C)[N@H+](CC)C1CC1 213234523 573704088 /nfs/dbraw/zinc/70/40/88/573704088.db2.gz GBLCAYXSGQEYBJ-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C[NH2+]C)[N@@H+](CC)C1CC1 213234523 573704094 /nfs/dbraw/zinc/70/40/94/573704094.db2.gz GBLCAYXSGQEYBJ-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP C1C[NH2+]C23[NH2+]CCC[C@@H]2CCC[C@H]3C1 238013783 573704234 /nfs/dbraw/zinc/70/42/34/573704234.db2.gz XROGBHJLPYBTIS-NDQFZYFBSA-N 2 1 194.322 1.866 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CCC1CC1)C1CC1 308684030 573704285 /nfs/dbraw/zinc/70/42/85/573704285.db2.gz YPOVSEMJLSYHNK-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CCC1CC1)C1CC1 308684030 573704287 /nfs/dbraw/zinc/70/42/87/573704287.db2.gz YPOVSEMJLSYHNK-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C)C1(C)C 259558972 573705911 /nfs/dbraw/zinc/70/59/11/573705911.db2.gz XSNFKWJDIYDQKG-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](C)C1(C)C 259558972 573705916 /nfs/dbraw/zinc/70/59/16/573705916.db2.gz XSNFKWJDIYDQKG-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@H+](C)[C@@]1(C[NH3+])CS[C@@H](C)C1 86936598 573705929 /nfs/dbraw/zinc/70/59/29/573705929.db2.gz BNXPUASRBBRSDE-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[N@@H+](C)[C@@]1(C[NH3+])CS[C@@H](C)C1 86936598 573705933 /nfs/dbraw/zinc/70/59/33/573705933.db2.gz BNXPUASRBBRSDE-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP [NH3+][C@H](c1ccccc1F)C1C[NH2+]C1 259171282 573706046 /nfs/dbraw/zinc/70/60/46/573706046.db2.gz DXMCAAFPWCDNAB-JTQLQIEISA-N 2 1 180.226 1.045 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](CCC2([NH3+])CC2)C1 258100487 573706213 /nfs/dbraw/zinc/70/62/13/573706213.db2.gz RZHLYJNRLWXJES-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]CC1CC=CC1 393553655 573706226 /nfs/dbraw/zinc/70/62/26/573706226.db2.gz HNOBULBTYFFNCX-NSHDSACASA-N 2 1 182.311 1.670 10 0 ADAEMP C[C@H]1CC[C@H]1[NH2+]CC[NH2+]C(C)(C)C 393554874 573706247 /nfs/dbraw/zinc/70/62/47/573706247.db2.gz NZPXJVIXOXQTBU-VHSXEESVSA-N 2 1 184.327 1.763 10 0 ADAEMP C1CC[N@H+]2CCCC[C@@H]2[NH2+]C1 238015442 573706396 /nfs/dbraw/zinc/70/63/96/573706396.db2.gz AZTASCFVYHNXGZ-SECBINFHSA-N 2 1 154.257 1.182 10 0 ADAEMP C1CC[N@@H+]2CCCC[C@@H]2[NH2+]C1 238015442 573706398 /nfs/dbraw/zinc/70/63/98/573706398.db2.gz AZTASCFVYHNXGZ-SECBINFHSA-N 2 1 154.257 1.182 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CS[C@@H](C)C1 86936789 573706446 /nfs/dbraw/zinc/70/64/46/573706446.db2.gz FRRPZQOZTWOTFM-DTWKUNHWSA-N 2 1 188.340 1.207 10 0 ADAEMP C1C[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]3)[C@H]2C1 238016505 573706469 /nfs/dbraw/zinc/70/64/69/573706469.db2.gz OGAPCBXKAFOBCK-TUAOUCFPSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[NH2+][C@@H](C)CC[NH2+]Cc1ccoc1 130781607 573711325 /nfs/dbraw/zinc/71/13/25/573711325.db2.gz OXCADJQDSRXHQX-JTQLQIEISA-N 2 1 196.294 1.757 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCS[C@H]1C 86946242 573710700 /nfs/dbraw/zinc/71/07/00/573710700.db2.gz OURLWENXHAHDKQ-DTWKUNHWSA-N 2 1 188.340 1.209 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[NH2+]Cc1ccoc1 130785517 573711264 /nfs/dbraw/zinc/71/12/64/573711264.db2.gz FCYDGAKSPGXUJE-KOLCDFICSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 108275789 573713694 /nfs/dbraw/zinc/71/36/94/573713694.db2.gz QCUKLRANIOWJDT-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[NH+]2CCCCC2)C1 124953980 573718925 /nfs/dbraw/zinc/71/89/25/573718925.db2.gz KJUCFOCQELZVDO-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@@]1([C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258097742 573719310 /nfs/dbraw/zinc/71/93/10/573719310.db2.gz GWYSTXMKVWTWSU-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CC[C@H]2CCC[C@H]21 393555805 573719400 /nfs/dbraw/zinc/71/94/00/573719400.db2.gz LSTHUCFOWMRSHU-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)CCCC[NH3+] 393555726 573719437 /nfs/dbraw/zinc/71/94/37/573719437.db2.gz RHUACTIHKXQUGX-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 393555811 573720845 /nfs/dbraw/zinc/72/08/45/573720845.db2.gz LSTHUCFOWMRSHU-SRVKXCTJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[NH2+]CC[C@H]1CCC[N@H+]1C 142979272 573723402 /nfs/dbraw/zinc/72/34/02/573723402.db2.gz ANWKLVYXOHEWLA-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 308680962 573723443 /nfs/dbraw/zinc/72/34/43/573723443.db2.gz XOXQQVYJSDHJCV-UTUOFQBUSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@@]1(C2CC2)CCC[N@H+]1C 258892250 573723487 /nfs/dbraw/zinc/72/34/87/573723487.db2.gz YONTVFVBOQPDNH-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+]CC[C@H]1CC[N@@H+](C)C1 308680963 573723599 /nfs/dbraw/zinc/72/35/99/573723599.db2.gz XOXQQVYJSDHJCV-WOPDTQHZSA-N 2 1 196.338 1.574 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@@H]([NH3+])CC(F)F 393555300 573723776 /nfs/dbraw/zinc/72/37/76/573723776.db2.gz LSVLHTWXVCOKBA-BQBZGAKWSA-N 2 1 192.253 1.357 10 0 ADAEMP CC[NH2+]CC[C@@H]1CCC[N@H+]1C 142979062 573723942 /nfs/dbraw/zinc/72/39/42/573723942.db2.gz ANWKLVYXOHEWLA-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CSCC(C)(C)C1 86976757 573724131 /nfs/dbraw/zinc/72/41/31/573724131.db2.gz GMBKURZPOYYLBV-VIFPVBQESA-N 2 1 188.340 1.066 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1C[C@H]2CCCCC[C@@H]21 687965353 573725192 /nfs/dbraw/zinc/72/51/92/573725192.db2.gz OYTQPCOQDXIHJU-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1C[C@H]2CCCCC[C@@H]21 687965353 573725197 /nfs/dbraw/zinc/72/51/97/573725197.db2.gz OYTQPCOQDXIHJU-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+]C1(CCc2c[nH+]cn2CCF)CC1 257857648 573725449 /nfs/dbraw/zinc/72/54/49/573725449.db2.gz QFOXJGDHRRCWBM-UHFFFAOYSA-N 2 1 197.257 1.277 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@]2(C)CCC[NH2+]2)C1 258109040 573727816 /nfs/dbraw/zinc/72/78/16/573727816.db2.gz HNSRCBNWFJHSBG-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](CCC1CCC1)CC1CC([NH3+])C1 258893947 573727909 /nfs/dbraw/zinc/72/79/09/573727909.db2.gz CXXHJNNABDRWEL-UHFFFAOYSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@]2(C)CCCC[NH2+]2)C1 258109167 573728206 /nfs/dbraw/zinc/72/82/06/573728206.db2.gz HPFULRNUYOGFHZ-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP [NH3+]CCCCCCC[NH2+]CC(F)F 147862183 573728292 /nfs/dbraw/zinc/72/82/92/573728292.db2.gz ZBCUKHCEWZYRJA-UHFFFAOYSA-N 2 1 194.269 1.750 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@@]2(C)CCC[NH2+]2)C1 258109050 573728321 /nfs/dbraw/zinc/72/83/21/573728321.db2.gz HNSRCBNWFJHSBG-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H](C1C[NH2+]C1)[N@@H+](C)C1CC1 716125602 573728377 /nfs/dbraw/zinc/72/83/77/573728377.db2.gz RLOOMCQMHDNDHY-SNVBAGLBSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[C@H]2[NH2+]CCC[C@@]2(C)C[N@H+]1C 238487862 573730370 /nfs/dbraw/zinc/73/03/70/573730370.db2.gz RNVJFWUKGTXQQH-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CCC=C(C[NH2+]C2CC2)C1 258109361 573730778 /nfs/dbraw/zinc/73/07/78/573730778.db2.gz OLUZRESMPKKDKL-UHFFFAOYSA-N 2 1 166.268 1.000 10 0 ADAEMP C[N@H+]1CCC=C(C[NH2+]C2CC2)C1 258109361 573730784 /nfs/dbraw/zinc/73/07/84/573730784.db2.gz OLUZRESMPKKDKL-UHFFFAOYSA-N 2 1 166.268 1.000 10 0 ADAEMP CC(C)(C)[C@@H]1CC[N@@H+](CC[NH3+])C1 108289063 573734890 /nfs/dbraw/zinc/73/48/90/573734890.db2.gz BWYCGVLJVJNDGY-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP Cc1ccc([C@H]([NH3+])CN)c2c1CCC2 238489038 573734931 /nfs/dbraw/zinc/73/49/31/573734931.db2.gz DXYROKDIGSVMGF-GFCCVEGCSA-N 2 1 190.290 1.442 10 0 ADAEMP C[NH2+]CC[NH2+][C@]1(C)CCCC[C@H]1C 308696372 573735294 /nfs/dbraw/zinc/73/52/94/573735294.db2.gz MTDRLKQSFFBNDK-GHMZBOCLSA-N 2 1 184.327 1.764 10 0 ADAEMP C[C@@H](CC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 259173723 573735508 /nfs/dbraw/zinc/73/55/08/573735508.db2.gz PWCTUFHXFFSSFD-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H](C)C[NH2+]C)C1 108289210 573735598 /nfs/dbraw/zinc/73/55/98/573735598.db2.gz KMMMPYVSGNYHNX-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CC[C@@H](F)C1 689909610 573736099 /nfs/dbraw/zinc/73/60/99/573736099.db2.gz PTWKLMMHXWIGOP-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CCC2)CC[C@@H]1[NH3+] 122395019 573736141 /nfs/dbraw/zinc/73/61/41/573736141.db2.gz VKXMIEZYHHLBMU-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])n1c[nH+]c2cc(N)ccc21 75935258 573736158 /nfs/dbraw/zinc/73/61/58/573736158.db2.gz PFEQIQNDPVOHQA-SSDOTTSWSA-N 2 1 190.250 1.138 10 0 ADAEMP C[C@H](CC[NH3+])C[C@@H]1CCC[N@@H+](C)C1 259173719 573736238 /nfs/dbraw/zinc/73/62/38/573736238.db2.gz PWCTUFHXFFSSFD-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]CC[NH2+][C@]1(C)CCCC[C@@H]1C 308696382 573736512 /nfs/dbraw/zinc/73/65/12/573736512.db2.gz MTDRLKQSFFBNDK-WDEREUQCSA-N 2 1 184.327 1.764 10 0 ADAEMP C[N@H+]1CCC[NH2+]C[C@H]1CC1CC1 108287284 573736531 /nfs/dbraw/zinc/73/65/31/573736531.db2.gz XAHKCSYFOUOKSO-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)C1CC[NH+]([C@H](C)CN)CC1 108297328 573738373 /nfs/dbraw/zinc/73/83/73/573738373.db2.gz OQEAPEGXYQWWGF-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1CC[NH+]([C@H](C)C[NH3+])CC1 108297328 573738377 /nfs/dbraw/zinc/73/83/77/573738377.db2.gz OQEAPEGXYQWWGF-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@@H+](CCC1CCC1)C[C@H]1C[C@@H]1C[NH3+] 715175117 573738432 /nfs/dbraw/zinc/73/84/32/573738432.db2.gz YYPCVCSMORFTHF-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP CCC1(CC)C[NH2+]C[C@H](C(C)C)N1 108297245 573738463 /nfs/dbraw/zinc/73/84/63/573738463.db2.gz RNBLXIMYBWWCHI-SNVBAGLBSA-N 2 1 184.327 1.763 10 0 ADAEMP C[N@@H+](CCC1CCC1)C[C@@H]1C[C@H]1C[NH3+] 715175116 573738662 /nfs/dbraw/zinc/73/86/62/573738662.db2.gz YYPCVCSMORFTHF-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CC1 126982958 573742563 /nfs/dbraw/zinc/74/25/63/573742563.db2.gz FGOTUGRBCLBGAF-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@H+](C2CC[NH2+]CC2)C1 84048185 573745842 /nfs/dbraw/zinc/74/58/42/573745842.db2.gz MAUGBTQKVRSKPM-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C(F)(F)[C@@H]1CCC[N@@H+](C)C1 257863065 573745352 /nfs/dbraw/zinc/74/53/52/573745352.db2.gz RIMKUWMKKACZFG-JGVFFNPUSA-N 2 1 192.253 1.311 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@@H+](CCCC[NH3+])C1 84045162 573745456 /nfs/dbraw/zinc/74/54/56/573745456.db2.gz WMZTXRGPQRCFEN-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)C(C)(C)C)CC1 258901650 573745658 /nfs/dbraw/zinc/74/56/58/573745658.db2.gz LCXAJBINYJJCJA-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@]12CC=CC[C@]1(C)C[NH+](CC[NH3+])C2 238501422 573745773 /nfs/dbraw/zinc/74/57/73/573745773.db2.gz OVHLDOMYCLXTFW-VXGBXAGGSA-N 2 1 194.322 1.623 10 0 ADAEMP C[C@H]1CCC[C@H]1[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87040096 573747290 /nfs/dbraw/zinc/74/72/90/573747290.db2.gz LZZSMWPCXSGSTE-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H](CCCC[NH3+])[NH2+]Cc1ccn[nH]1 308702817 573747293 /nfs/dbraw/zinc/74/72/93/573747293.db2.gz VONNORBKVTZALN-SECBINFHSA-N 2 1 196.298 1.017 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](N)C1 87040063 573747338 /nfs/dbraw/zinc/74/73/38/573747338.db2.gz JIMRALQTINZGHZ-OUAUKWLOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87042301 573747533 /nfs/dbraw/zinc/74/75/33/573747533.db2.gz QAVMPBIZMYVBAP-MNOVXSKESA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]([NH3+])C[C@@H](C)C1 87042301 573747537 /nfs/dbraw/zinc/74/75/37/573747537.db2.gz QAVMPBIZMYVBAP-MNOVXSKESA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CN(CC2CCC2)C1 87041967 573747564 /nfs/dbraw/zinc/74/75/64/573747564.db2.gz OIZCJOHHEXVTNI-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CCC[C@@H]1[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87040093 573749929 /nfs/dbraw/zinc/74/99/29/573749929.db2.gz LZZSMWPCXSGSTE-RHYQMDGZSA-N 2 1 196.338 1.844 10 0 ADAEMP Cc1[nH+]ccn1CC1(C[NH3+])CCC1 238497095 573749948 /nfs/dbraw/zinc/74/99/48/573749948.db2.gz MVBOGEHVQLIROG-UHFFFAOYSA-N 2 1 179.267 1.321 10 0 ADAEMP C[C@@H](C1CC1)N1C[C@@H]([NH3+])C[C@@H](C)C1 87039747 573750047 /nfs/dbraw/zinc/75/00/47/573750047.db2.gz YFKZFTPHSMHKDK-YWVKMMECSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CN(CC2CCC2)C1 87041963 573750342 /nfs/dbraw/zinc/75/03/42/573750342.db2.gz OIZCJOHHEXVTNI-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N)C1 108307193 573750408 /nfs/dbraw/zinc/75/04/08/573750408.db2.gz UPVDUHFQNZRPBU-GRYCIOLGSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@@H]2CCCNC2)C1 108307356 573750487 /nfs/dbraw/zinc/75/04/87/573750487.db2.gz YXCGZZUWKXGKKG-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CN(C2CCCC2)C1 87039832 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SFYARFIUEMXBQJ-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[NH+](CC[C@H]2CCCC[NH2+]2)C1 108307438 573753453 /nfs/dbraw/zinc/75/34/53/573753453.db2.gz BCJOIDINFLEKIR-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 84080298 573760026 /nfs/dbraw/zinc/76/00/26/573760026.db2.gz QTYKJLFCAZWVEX-UWVGGRQHSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+][C@H]1CC[N@H+]([C@H]2CC=CCC2)C1 84080298 573760032 /nfs/dbraw/zinc/76/00/32/573760032.db2.gz QTYKJLFCAZWVEX-UWVGGRQHSA-N 2 1 166.268 1.128 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@H]1CC=CCC1 84068048 573760401 /nfs/dbraw/zinc/76/04/01/573760401.db2.gz ZWKSSGUFGTXAHU-WOPDTQHZSA-N 2 1 194.322 1.907 10 0 ADAEMP Cc1[nH]c2c([nH+]1)C[C@@H]([C@@H](C)[NH3+])CC2 76089368 573760472 /nfs/dbraw/zinc/76/04/72/573760472.db2.gz MDAOWLGZAFDMRH-SVRRBLITSA-N 2 1 179.267 1.170 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C[NH3+])[C@@H]1C 259184647 573760507 /nfs/dbraw/zinc/76/05/07/573760507.db2.gz BIHZBMBNDXJOGG-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2[C@@H](C)[NH3+] 76089347 573760597 /nfs/dbraw/zinc/76/05/97/573760597.db2.gz RKQPQMYKDODJBV-SVRRBLITSA-N 2 1 179.267 1.485 10 0 ADAEMP CC(C)[C@H]1C[C@@H]([NH3+])C[N@@H+]1C1CC1 108332693 573760653 /nfs/dbraw/zinc/76/06/53/573760653.db2.gz YJYSNKBXMCHOBS-PSASIEDQSA-N 2 1 168.284 1.206 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2[C@H](C)[NH3+] 76089351 573760656 /nfs/dbraw/zinc/76/06/56/573760656.db2.gz RKQPQMYKDODJBV-XPUUQOCRSA-N 2 1 179.267 1.485 10 0 ADAEMP CC(C)[C@H]1C[C@@H]([NH3+])C[N@H+]1C1CC1 108332693 573760658 /nfs/dbraw/zinc/76/06/58/573760658.db2.gz YJYSNKBXMCHOBS-PSASIEDQSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@H]1CC=CCC1 84068046 573763698 /nfs/dbraw/zinc/76/36/98/573763698.db2.gz ZWKSSGUFGTXAHU-UTUOFQBUSA-N 2 1 194.322 1.907 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCc2c([nH+]cn2C)C1 76087866 573763709 /nfs/dbraw/zinc/76/37/09/573763709.db2.gz QINMIIXLLCQUJI-DTWKUNHWSA-N 2 1 193.294 1.262 10 0 ADAEMP 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76087920 573763946 /nfs/dbraw/zinc/76/39/46/573763946.db2.gz IECHWNWSLFFFAJ-IUCAKERBSA-N 2 1 193.294 1.262 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CCCc2[nH+]cn(C)c21 76087820 573764006 /nfs/dbraw/zinc/76/40/06/573764006.db2.gz JSHWYQBBJYVWJF-RKDXNWHRSA-N 2 1 193.294 1.435 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@H]([C@H](C)[NH3+])CCC2 76089704 573764021 /nfs/dbraw/zinc/76/40/21/573764021.db2.gz FPRYCGXCAASBDY-CBAPKCEASA-N 2 1 193.294 1.496 10 0 ADAEMP CNCc1coc([C@H]2CCCN2C)n1 258122575 573764025 /nfs/dbraw/zinc/76/40/25/573764025.db2.gz ORAVKALQUIHUIB-SECBINFHSA-N 2 1 195.266 1.161 10 0 ADAEMP CC(C)[C@H]1C[C@H]([NH3+])C[N@@H+]1C1CC1 108332688 573764080 /nfs/dbraw/zinc/76/40/80/573764080.db2.gz YJYSNKBXMCHOBS-WCBMZHEXSA-N 2 1 168.284 1.206 10 0 ADAEMP CC(C)[C@H]1C[C@H]([NH3+])C[N@H+]1C1CC1 108332688 573764087 /nfs/dbraw/zinc/76/40/87/573764087.db2.gz YJYSNKBXMCHOBS-WCBMZHEXSA-N 2 1 168.284 1.206 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C1CCCC1 108332678 573764120 /nfs/dbraw/zinc/76/41/20/573764120.db2.gz ZDSYDNBFDMTEEI-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C1CCCC1 108332678 573764123 /nfs/dbraw/zinc/76/41/23/573764123.db2.gz ZDSYDNBFDMTEEI-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CCCc2c1[nH+]cn2C 76087889 573764135 /nfs/dbraw/zinc/76/41/35/573764135.db2.gz DLFBAHXCWHOVCY-RKDXNWHRSA-N 2 1 193.294 1.435 10 0 ADAEMP CC(C)n1c[nH+]c2c1C[C@H](C[NH3+])CC2 76088182 573764148 /nfs/dbraw/zinc/76/41/48/573764148.db2.gz KYIBNPGXDJAWDU-SECBINFHSA-N 2 1 193.294 1.528 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@H]1CC[NH2+]C[C@@H]1C 308710209 573764205 /nfs/dbraw/zinc/76/42/05/573764205.db2.gz YGXDDSKIZBFXDF-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C 108333525 573764269 /nfs/dbraw/zinc/76/42/69/573764269.db2.gz KSCISJQVTXDIBO-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CNCc1coc([C@@H]2CCCN2C)n1 258122577 573764277 /nfs/dbraw/zinc/76/42/77/573764277.db2.gz ORAVKALQUIHUIB-VIFPVBQESA-N 2 1 195.266 1.161 10 0 ADAEMP CC[C@@H]([NH2+]Cc1ccoc1)C1C[NH2+]C1 716159973 573767159 /nfs/dbraw/zinc/76/71/59/573767159.db2.gz XZFGDGOJXAEPNK-LLVKDONJSA-N 2 1 194.278 1.367 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@@H]2[NH2+]CCCO2)C1 257870336 573767206 /nfs/dbraw/zinc/76/72/06/573767206.db2.gz ALKQNYGQBCLMNL-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP C[NH2+]CC[C@@H]([NH3+])c1sccc1C 259566302 573767453 /nfs/dbraw/zinc/76/74/53/573767453.db2.gz YHEGKAVGAXAQKV-MRVPVSSYSA-N 2 1 184.308 1.666 10 0 ADAEMP C[NH2+]CC[C@H]([NH3+])c1sccc1C 259566306 573767721 /nfs/dbraw/zinc/76/77/21/573767721.db2.gz YHEGKAVGAXAQKV-QMMMGPOBSA-N 2 1 184.308 1.666 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1CC1CCC1 131135168 573767743 /nfs/dbraw/zinc/76/77/43/573767743.db2.gz PQAUTBYOCDPKIO-UHFFFAOYSA-N 2 1 179.267 1.184 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CCc1cc[nH]c1 258928426 573767849 /nfs/dbraw/zinc/76/78/49/573767849.db2.gz PEBHFOGGSLDHFK-UHFFFAOYSA-N 2 1 195.310 1.228 10 0 ADAEMP CC[NH2+]CCCc1c[nH+]ccc1OC 308710747 573770507 /nfs/dbraw/zinc/77/05/07/573770507.db2.gz YRAQNLZMDAUMEQ-UHFFFAOYSA-N 2 1 194.278 1.632 10 0 ADAEMP CC(C)(C[NH3+])[C@@H]([NH3+])c1ccccc1F 259180147 573773258 /nfs/dbraw/zinc/77/32/58/573773258.db2.gz FHEVRTSUTAUUQD-JTQLQIEISA-N 2 1 196.269 1.810 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCC[C@@H](C)[C@@H]1C 224670467 573772536 /nfs/dbraw/zinc/77/25/36/573772536.db2.gz MWQPLRFGYDYTGP-VWYCJHECSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@]1([C@H]2CCC[N@@H+](C)C2)C[C@H]1C 258931944 573773022 /nfs/dbraw/zinc/77/30/22/573773022.db2.gz AXLJMOLEJOVNKD-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)(C[NH3+])[C@H]([NH3+])c1ccccc1F 259180149 573773071 /nfs/dbraw/zinc/77/30/71/573773071.db2.gz FHEVRTSUTAUUQD-SNVBAGLBSA-N 2 1 196.269 1.810 10 0 ADAEMP Cc1[nH]c(CC2C[NH2+]C2)[nH+]c1C1CC1 257874394 573774294 /nfs/dbraw/zinc/77/42/94/573774294.db2.gz UFNCGCLCWJGRHK-UHFFFAOYSA-N 2 1 191.278 1.357 10 0 ADAEMP Cc1[nH+]c(CC2C[NH2+]C2)[nH]c1C1CC1 257874394 573774302 /nfs/dbraw/zinc/77/43/02/573774302.db2.gz UFNCGCLCWJGRHK-UHFFFAOYSA-N 2 1 191.278 1.357 10 0 ADAEMP CCCC[NH2+][C@@H](C)C[NH2+]C1CC1 162387008 573774346 /nfs/dbraw/zinc/77/43/46/573774346.db2.gz AXYLCJVWFCLJNB-VIFPVBQESA-N 2 1 170.300 1.517 10 0 ADAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 258934757 573774369 /nfs/dbraw/zinc/77/43/69/573774369.db2.gz JPWUZTVOFGFJRE-QWRGUYRKSA-N 2 1 193.294 1.374 10 0 ADAEMP COCC[N@@H+](CCCC[NH3+])C(C)C 131168816 573774554 /nfs/dbraw/zinc/77/45/54/573774554.db2.gz BWYOYCAUEXWTRJ-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](CCC[C@@H](C)C[NH3+])C1CC1 131174826 573774956 /nfs/dbraw/zinc/77/49/56/573774956.db2.gz BPXKLZDMVRVCEJ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@@H]1CCCN1[C@@H]1CCC[NH2+]C1 84126089 573774964 /nfs/dbraw/zinc/77/49/64/573774964.db2.gz RXYUZJGOUXZXHW-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CCC[NH2+]C(C)(C)C[NH3+] 258936156 573776264 /nfs/dbraw/zinc/77/62/64/573776264.db2.gz VWYKLOVDGNHXPT-UHFFFAOYSA-N 2 1 172.316 1.750 10 0 ADAEMP CC[C@H](CN)[N@@H+](CCOC)C(C)C 131168329 573776335 /nfs/dbraw/zinc/77/63/35/573776335.db2.gz LKJFIWMKAURNIP-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+](CCOC)C(C)C 131168329 573776337 /nfs/dbraw/zinc/77/63/37/573776337.db2.gz LKJFIWMKAURNIP-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1N 84125895 573776385 /nfs/dbraw/zinc/77/63/85/573776385.db2.gz XXKCDDSFYQPCQE-SDDRHHMPSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[N@H+](C)CCC[C@@H](C)C[NH3+] 131167016 573776406 /nfs/dbraw/zinc/77/64/06/573776406.db2.gz CAWNMTMJJXUSDV-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@H](CN)[N@@H+](CCOC)C(C)C 131168112 573776475 /nfs/dbraw/zinc/77/64/75/573776475.db2.gz LKJFIWMKAURNIP-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C[NH3+])[N@H+](CCOC)C(C)C 131168112 573776476 /nfs/dbraw/zinc/77/64/76/573776476.db2.gz LKJFIWMKAURNIP-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+]1CC=C(CCC[NH3+])CC1 258118116 573776993 /nfs/dbraw/zinc/77/69/93/573776993.db2.gz OXOBXXUQJHEIRJ-UHFFFAOYSA-N 2 1 168.284 1.377 10 0 ADAEMP CC(C)[N@@H+](C)C(C)(C)CC[NH3+] 258935937 573777011 /nfs/dbraw/zinc/77/70/11/573777011.db2.gz VTYMHCDJSQGXIL-UHFFFAOYSA-N 2 1 158.289 1.454 10 0 ADAEMP CC(C)[C@H]1CCC[N@@H+]1CC(N)=[NH2+] 84126276 573778376 /nfs/dbraw/zinc/77/83/76/573778376.db2.gz XDMPJPQXZILFQC-MRVPVSSYSA-N 2 1 169.272 1.043 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1CC(N)=[NH2+] 84126276 573778383 /nfs/dbraw/zinc/77/83/83/573778383.db2.gz XDMPJPQXZILFQC-MRVPVSSYSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@]12CCCC[C@]1(C)C[NH+](CC[NH3+])C2 238512459 573779029 /nfs/dbraw/zinc/77/90/29/573779029.db2.gz BSACSQJSCRYXNF-VXGBXAGGSA-N 2 1 196.338 1.847 10 0 ADAEMP C[N@@H+](CCCCC[NH3+])C1CCC1 127191880 573786531 /nfs/dbraw/zinc/78/65/31/573786531.db2.gz IEGIWDXPNRMZSN-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[N@@H+]1CCC(C)(C)[C@H]([NH3+])C1 258947009 573786550 /nfs/dbraw/zinc/78/65/50/573786550.db2.gz YPIOVRYFKJDWFU-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@H+]1CCC(C)(C)[C@H]([NH3+])C1 258947009 573786556 /nfs/dbraw/zinc/78/65/56/573786556.db2.gz YPIOVRYFKJDWFU-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1CC(C)C 107231288 573786634 /nfs/dbraw/zinc/78/66/34/573786634.db2.gz VIIJXOYVSTYIMK-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1CC(C)C 107231288 573786636 /nfs/dbraw/zinc/78/66/36/573786636.db2.gz VIIJXOYVSTYIMK-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259188109 573792226 /nfs/dbraw/zinc/79/22/26/573792226.db2.gz HZDVQEPDQFFTSA-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1C 259185649 573792486 /nfs/dbraw/zinc/79/24/86/573792486.db2.gz HTANQSQEJYNEGW-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC1CC([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 308731307 573792566 /nfs/dbraw/zinc/79/25/66/573792566.db2.gz JOWIWQMXAKIASH-CXQJBGSLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]([NH3+])CCCC[N@@H+](C)C1CCC1 127292599 573792702 /nfs/dbraw/zinc/79/27/02/573792702.db2.gz DIYSPGCAPUMKBJ-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@@H+](C)CCCF 716777334 573792716 /nfs/dbraw/zinc/79/27/16/573792716.db2.gz AFYYBYSBKYYCBL-JTQLQIEISA-N 2 1 190.306 1.653 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259188115 573792815 /nfs/dbraw/zinc/79/28/15/573792815.db2.gz HZDVQEPDQFFTSA-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])CC1(C)C 259187412 573792827 /nfs/dbraw/zinc/79/28/27/573792827.db2.gz BKBUJTBYBNAJGO-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)C1CCC1)C(C)C 127295316 573793384 /nfs/dbraw/zinc/79/33/84/573793384.db2.gz UYEVJNVETVOWBK-LLVKDONJSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)C1CCC1)C(C)C 127295316 573793389 /nfs/dbraw/zinc/79/33/89/573793389.db2.gz UYEVJNVETVOWBK-LLVKDONJSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+]CC(C)(C)[C@H]1CCC[N@@H+](C)C1 259185749 573793709 /nfs/dbraw/zinc/79/37/09/573793709.db2.gz VNDUTPBCWCNUKG-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CCC1 127293305 573794076 /nfs/dbraw/zinc/79/40/76/573794076.db2.gz ROSNURLRTBZAKE-RKDXNWHRSA-N 2 1 170.300 1.597 10 0 ADAEMP Cc1nc2cccc(C[C@@H](C)[NH3+])c2[nH]1 76209690 573799116 /nfs/dbraw/zinc/79/91/16/573799116.db2.gz GFLVVIWNXWPTGS-SSDOTTSWSA-N 2 1 189.262 1.761 10 0 ADAEMP CC(C)C[C@H]1[C@H]2[NH2+]CC[C@H]2C[N@@H+]1C 84229080 573799264 /nfs/dbraw/zinc/79/92/64/573799264.db2.gz ALSVUMGAWLINTI-DCAQKATOSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)C[C@H]1[C@H]2[NH2+]CC[C@H]2C[N@H+]1C 84229080 573799266 /nfs/dbraw/zinc/79/92/66/573799266.db2.gz ALSVUMGAWLINTI-DCAQKATOSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H](C)C1C[NH2+]C1 686255372 573799303 /nfs/dbraw/zinc/79/93/03/573799303.db2.gz GFGXMPZPLDSCAT-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H]1[C@@H]([NH2+]C2CC2)CCC[N@@H+]1C 107237785 573799744 /nfs/dbraw/zinc/79/97/44/573799744.db2.gz ZSFNEHNEZYHGAI-RYUDHWBXSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[C@H]1[C@@H]([NH2+]C2CC2)CCC[N@H+]1C 107237785 573799748 /nfs/dbraw/zinc/79/97/48/573799748.db2.gz ZSFNEHNEZYHGAI-RYUDHWBXSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H](C1C[NH2+]C1)[N@H+]1C[C@H](C)CC[C@H]1C 686255370 573799759 /nfs/dbraw/zinc/79/97/59/573799759.db2.gz GFGXMPZPLDSCAT-MXWKQRLJSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@@H+](C)C1CCC1 127303677 573799885 /nfs/dbraw/zinc/79/98/85/573799885.db2.gz OKBAWOCISSCLCM-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1[NH3+] 147518891 573800068 /nfs/dbraw/zinc/80/00/68/573800068.db2.gz IZEGYVYZVSPEKH-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC(CC)[NH2+][C@@H](C)C[NH3+] 87156939 573800303 /nfs/dbraw/zinc/80/03/03/573800303.db2.gz PAHZYJDMXDVJAP-ZETCQYMHSA-N 2 1 144.262 1.112 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+](C)C1CCC1 127304222 573800353 /nfs/dbraw/zinc/80/03/53/573800353.db2.gz NCVXNDFWDUMMEK-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+](C)C1CCC1 127304222 573800356 /nfs/dbraw/zinc/80/03/56/573800356.db2.gz NCVXNDFWDUMMEK-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP Cc1nc2cccc(C[C@H](C)[NH3+])c2[nH]1 76209695 573800363 /nfs/dbraw/zinc/80/03/63/573800363.db2.gz GFLVVIWNXWPTGS-ZETCQYMHSA-N 2 1 189.262 1.761 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+]([C@H](C)C2C[NH2+]C2)C1 686255369 573800822 /nfs/dbraw/zinc/80/08/22/573800822.db2.gz GFGXMPZPLDSCAT-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP Cc1[nH]cc(CCC2CC[NH2+]CC2)[nH+]1 238513940 573801126 /nfs/dbraw/zinc/80/11/26/573801126.db2.gz JDVFUQBHEKJOFO-UHFFFAOYSA-N 2 1 193.294 1.650 10 0 ADAEMP CCC(CC)[NH2+][C@H](C)C[NH3+] 87156941 573801233 /nfs/dbraw/zinc/80/12/33/573801233.db2.gz PAHZYJDMXDVJAP-SSDOTTSWSA-N 2 1 144.262 1.112 10 0 ADAEMP CC[N@@H+](C)CC[C@@H]1CC[NH+](C)C1 258954997 573803040 /nfs/dbraw/zinc/80/30/40/573803040.db2.gz AFKZWVRHHTVLPN-SNVBAGLBSA-N 2 1 170.300 1.280 10 0 ADAEMP CC[NH+](C)CC[C@@H]1CC[N@H+](C)C1 258954997 573803045 /nfs/dbraw/zinc/80/30/45/573803045.db2.gz AFKZWVRHHTVLPN-SNVBAGLBSA-N 2 1 170.300 1.280 10 0 ADAEMP CC[NH+](C)CC[C@@H]1CC[N@@H+](C)C1 258954997 573803049 /nfs/dbraw/zinc/80/30/49/573803049.db2.gz AFKZWVRHHTVLPN-SNVBAGLBSA-N 2 1 170.300 1.280 10 0 ADAEMP C[C@@H](C1C[NH2+]C1)[N@@H+](C)CC1CCCC1 686255398 573803182 /nfs/dbraw/zinc/80/31/82/573803182.db2.gz HHSMISQYLGGIOS-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C)CC[C@H]1CC[NH+](C)C1 258954996 573803231 /nfs/dbraw/zinc/80/32/31/573803231.db2.gz AFKZWVRHHTVLPN-JTQLQIEISA-N 2 1 170.300 1.280 10 0 ADAEMP CC[NH+](C)CC[C@H]1CC[N@H+](C)C1 258954996 573803234 /nfs/dbraw/zinc/80/32/34/573803234.db2.gz AFKZWVRHHTVLPN-JTQLQIEISA-N 2 1 170.300 1.280 10 0 ADAEMP CC[NH+](C)CC[C@H]1CC[N@@H+](C)C1 258954996 573803239 /nfs/dbraw/zinc/80/32/39/573803239.db2.gz AFKZWVRHHTVLPN-JTQLQIEISA-N 2 1 170.300 1.280 10 0 ADAEMP C[C@H](C1C[NH2+]C1)[N@@H+](C)CC1CCCC1 686255399 573803264 /nfs/dbraw/zinc/80/32/64/573803264.db2.gz HHSMISQYLGGIOS-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C)C1(C)C 259193488 573803368 /nfs/dbraw/zinc/80/33/68/573803368.db2.gz BPYTYYRRZZMVNK-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP Cn1cc[nH+]c1C1CCC(C[NH3+])CC1 238516577 573806149 /nfs/dbraw/zinc/80/61/49/573806149.db2.gz QURVFRDNYGRPCH-UHFFFAOYSA-N 2 1 193.294 1.653 10 0 ADAEMP COCC[N@@H+](CC[C@H](C)[NH3+])C(C)C 131264981 573806648 /nfs/dbraw/zinc/80/66/48/573806648.db2.gz NJGFYIICICIIFC-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1[NH3+] 147519101 573806681 /nfs/dbraw/zinc/80/66/81/573806681.db2.gz IZEGYVYZVSPEKH-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@H](C[NH3+])[C@]1(C)C[C@@H]1C 714749336 573810183 /nfs/dbraw/zinc/81/01/83/573810183.db2.gz ZKUUUTDUERVBFW-YBXAARCKSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C[NH3+])[C@]1(C)C[C@@H]1C 714749336 573810187 /nfs/dbraw/zinc/81/01/87/573810187.db2.gz ZKUUUTDUERVBFW-YBXAARCKSA-N 2 1 196.338 1.700 10 0 ADAEMP CC[N@H+]1C[C@@H](CC[NH3+])CC1(C)C 259196963 573809521 /nfs/dbraw/zinc/80/95/21/573809521.db2.gz BWFKTMNIURATJN-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CCC[C@H]1CC1([NH3+])CCC1 258138029 573809598 /nfs/dbraw/zinc/80/95/98/573809598.db2.gz VEGZOFGBNIDZPS-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP Cc1ccc(C)c([C@@](C)(N)C[NH3+])c1 259194661 573809633 /nfs/dbraw/zinc/80/96/33/573809633.db2.gz YIBYXJMZZJLZDK-NSHDSACASA-N 2 1 178.279 1.436 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](CN)[C@]1(C)C[C@H]1C 714749179 573809889 /nfs/dbraw/zinc/80/98/89/573809889.db2.gz ZKUUUTDUERVBFW-RMPHRYRLSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@H](C[NH3+])[C@]1(C)C[C@H]1C 714749179 573809902 /nfs/dbraw/zinc/80/99/02/573809902.db2.gz ZKUUUTDUERVBFW-RMPHRYRLSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C[NH3+])[C@]1(C)C[C@H]1C 714749179 573809908 /nfs/dbraw/zinc/80/99/08/573809908.db2.gz ZKUUUTDUERVBFW-RMPHRYRLSA-N 2 1 196.338 1.700 10 0 ADAEMP CC[N@H+]1C[C@H](CC[NH3+])CC1(C)C 259196960 573810034 /nfs/dbraw/zinc/81/00/34/573810034.db2.gz BWFKTMNIURATJN-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@@H](C)CC[NH3+] 41042553 573812495 /nfs/dbraw/zinc/81/24/95/573812495.db2.gz KINMEMBYZMEHNR-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H](C[NH3+])CCC[NH2+]CC(F)F 131309999 573811688 /nfs/dbraw/zinc/81/16/88/573811688.db2.gz HHTCGEWWSSQDPJ-SSDOTTSWSA-N 2 1 180.242 1.216 10 0 ADAEMP F[C@@H]1CC[C@@H]([C@@H]2CCC[NH2+]C2)[NH2+]C1 238529102 573811893 /nfs/dbraw/zinc/81/18/93/573811893.db2.gz UOBVYVAMFPSUKT-BBBLOLIVSA-N 2 1 186.274 1.076 10 0 ADAEMP C[N@H+](C[C@@H]([NH3+])C(C)(C)C)C1CCC1 127354128 573811946 /nfs/dbraw/zinc/81/19/46/573811946.db2.gz IWSLIFAYOXGVSN-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C[C@@H]([NH3+])C(C)(C)C)C1CCC1 127354128 573811953 /nfs/dbraw/zinc/81/19/53/573811953.db2.gz IWSLIFAYOXGVSN-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+](C)C1CCC1 127362455 573812095 /nfs/dbraw/zinc/81/20/95/573812095.db2.gz RQDWYAYOKIIZPW-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+](C)C1CCC1 127362455 573812099 /nfs/dbraw/zinc/81/20/99/573812099.db2.gz RQDWYAYOKIIZPW-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)Cc1ccncc1 41042585 573812432 /nfs/dbraw/zinc/81/24/32/573812432.db2.gz FOJLFVOHOYFHAS-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP CCCC[C@@H](C[NH3+])[N@H+](C)C1CC1 41053107 573818888 /nfs/dbraw/zinc/81/88/88/573818888.db2.gz IQKBAZGULIDXIL-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H](C[NH3+])[N@@H+](C)C1CC1 41053107 573818894 /nfs/dbraw/zinc/81/88/94/573818894.db2.gz IQKBAZGULIDXIL-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])C[N@@H+](C)C(C)C 87187111 573818927 /nfs/dbraw/zinc/81/89/27/573818927.db2.gz NUGQFWUOCIYWFM-NSHDSACASA-N 2 1 186.343 1.948 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@H]1[C@@H]1CCC[N@@H+](C)C1 308447873 573818981 /nfs/dbraw/zinc/81/89/81/573818981.db2.gz ANJGMLOOADHBAU-WOPDTQHZSA-N 2 1 196.338 1.574 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)C1 41051407 573819052 /nfs/dbraw/zinc/81/90/52/573819052.db2.gz MRRCJITVWMTYBX-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[C@@H]2C[NH3+])C1 84312157 573819220 /nfs/dbraw/zinc/81/92/20/573819220.db2.gz NJHOYVFTDINPKM-TUAOUCFPSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1[C@@]1(C)CCCC[NH2+]1 258146696 573821363 /nfs/dbraw/zinc/82/13/63/573821363.db2.gz KBYWMHNNRQESTQ-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@]1(C)CCCC[NH2+]1 258146696 573821370 /nfs/dbraw/zinc/82/13/70/573821370.db2.gz KBYWMHNNRQESTQ-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H](F)CC[NH3+])C1 257883551 573820677 /nfs/dbraw/zinc/82/06/77/573820677.db2.gz VXVXTXXYKZGUFJ-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@H]1[C@H]1CCC[N@@H+](C)C1 308447872 573820690 /nfs/dbraw/zinc/82/06/90/573820690.db2.gz ANJGMLOOADHBAU-SRVKXCTJSA-N 2 1 196.338 1.574 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]2C[C@]23CC[NH2+]C3)C1 258147188 573820869 /nfs/dbraw/zinc/82/08/69/573820869.db2.gz RQHDKQSLSPOKGR-SRVKXCTJSA-N 2 1 194.322 1.328 10 0 ADAEMP C1C[NH2+][C@H]2[C@@H]3CCC[N@@H+]3CCC[C@H]2C1 257883478 573820920 /nfs/dbraw/zinc/82/09/20/573820920.db2.gz VWQREJWJRXCYJT-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]C)CC1(C)C 259204596 573820972 /nfs/dbraw/zinc/82/09/72/573820972.db2.gz CFTZIBIZXNNBTG-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@]2(C)CCCC[NH2+]2)C1 258146728 573821036 /nfs/dbraw/zinc/82/10/36/573821036.db2.gz KCZOINHJOLYEHK-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)C1CCC1)C1CC1 127313650 573821061 /nfs/dbraw/zinc/82/10/61/573821061.db2.gz XFJKMSUFJWTHOX-NSHDSACASA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+](CCCF)CC(C)(C)C(N)=[NH2+] 716805109 573821067 /nfs/dbraw/zinc/82/10/67/573821067.db2.gz KDOCGIMESUJSTE-UHFFFAOYSA-N 2 1 189.278 1.240 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)C1CCC1)C1CC1 127313650 573821068 /nfs/dbraw/zinc/82/10/68/573821068.db2.gz XFJKMSUFJWTHOX-NSHDSACASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@@H]1[C@@H]1CCC[N@@H+](C)C1 308447870 573821161 /nfs/dbraw/zinc/82/11/61/573821161.db2.gz ANJGMLOOADHBAU-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CCC[N@H+]1CCC[C@H]21 257883482 573821222 /nfs/dbraw/zinc/82/12/22/573821222.db2.gz VWQREJWJRXCYJT-QJPTWQEYSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)CC1(C)C 259204597 573821230 /nfs/dbraw/zinc/82/12/30/573821230.db2.gz CFTZIBIZXNNBTG-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CCC[N@H+]1CCC[C@@H]21 257883486 573822379 /nfs/dbraw/zinc/82/23/79/573822379.db2.gz VWQREJWJRXCYJT-SDDRHHMPSA-N 2 1 194.322 1.613 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[NH2+]C1 84304925 573822496 /nfs/dbraw/zinc/82/24/96/573822496.db2.gz XTAJONORRBFDRW-SECBINFHSA-N 2 1 165.240 1.116 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C)C1 41051408 573822593 /nfs/dbraw/zinc/82/25/93/573822593.db2.gz MRRCJITVWMTYBX-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)CC1CC1 43498686 573822665 /nfs/dbraw/zinc/82/26/65/573822665.db2.gz CPFKSSZAGBDTEK-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1C[NH3+] 84311905 573822669 /nfs/dbraw/zinc/82/26/69/573822669.db2.gz FMPQFMSUSYKJMT-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+][C@H](CC[N@H+]1CCC2(CC2)C1)C1CC1 400042761 573822743 /nfs/dbraw/zinc/82/27/43/573822743.db2.gz OGGVWUUMSWWDEW-LLVKDONJSA-N 2 1 194.322 1.600 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H](F)CC[NH3+])C1 257883553 573822863 /nfs/dbraw/zinc/82/28/63/573822863.db2.gz VXVXTXXYKZGUFJ-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH+]1CCCC1 41053038 573822990 /nfs/dbraw/zinc/82/29/90/573822990.db2.gz LGADBBYOGTVHRJ-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[C@@H](C[NH3+])[NH+]1CCCC1 41053037 573823060 /nfs/dbraw/zinc/82/30/60/573823060.db2.gz LGADBBYOGTVHRJ-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+]1CCC[NH2+][C@H](C)CC1 122801022 573823136 /nfs/dbraw/zinc/82/31/36/573823136.db2.gz KFKGTKUKMXDUJY-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C[NH3+])Cc1[nH]cc(C2CCC2)[nH+]1 259203316 573823201 /nfs/dbraw/zinc/82/32/01/573823201.db2.gz XSRLLINSZYPGEW-QMMMGPOBSA-N 2 1 193.294 1.815 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)C1CCC1 127339742 573824770 /nfs/dbraw/zinc/82/47/70/573824770.db2.gz YBEDBBBIKGJDEF-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](C)[N@@H+](CC)CCC[NH3+] 233275405 573824798 /nfs/dbraw/zinc/82/47/98/573824798.db2.gz NOEYSOLCWORBNF-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP Cc1ccc([C@@H]2[NH2+]CCC[C@H]2C[NH3+])o1 238524466 573824923 /nfs/dbraw/zinc/82/49/23/573824923.db2.gz FZCFIBDSAMUCSH-GXSJLCMTSA-N 2 1 194.278 1.587 10 0 ADAEMP CCCCCC[N@H+](CC[NH3+])C1CC1 41057031 573825000 /nfs/dbraw/zinc/82/50/00/573825000.db2.gz IXKMCMFWLRXMRR-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CCCCCC[N@@H+](CC[NH3+])C1CC1 41057031 573825003 /nfs/dbraw/zinc/82/50/03/573825003.db2.gz IXKMCMFWLRXMRR-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@@H](C[NH3+])CCC[N@H+]1CC[C@@H](C)C1 131207818 573825472 /nfs/dbraw/zinc/82/54/72/573825472.db2.gz FRHAZUJQTOVNKD-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)(C[NH2+]CC[NH3+])C1=CCCC1 308752195 573825736 /nfs/dbraw/zinc/82/57/36/573825736.db2.gz BPZJHRXWVLKEBE-UHFFFAOYSA-N 2 1 182.311 1.671 10 0 ADAEMP CC[NH2+][C@H](C[N@H+](C)C1CCC1)C1CC1 127334871 573827342 /nfs/dbraw/zinc/82/73/42/573827342.db2.gz OQGWUUSIYVDNGP-GFCCVEGCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C[N@@H+](C)C1CCC1)C1CC1 127334871 573827345 /nfs/dbraw/zinc/82/73/45/573827345.db2.gz OQGWUUSIYVDNGP-GFCCVEGCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C1CCCCCC1 84328787 573829609 /nfs/dbraw/zinc/82/96/09/573829609.db2.gz STQZFJOWOMCQIK-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP C[N@H+]1C[C@H]2C[C@@]2(CCC2([NH3+])CC2)C1 257886270 573829882 /nfs/dbraw/zinc/82/98/82/573829882.db2.gz MQUAHHHJRAOEIO-ZJUUUORDSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C1(C[NH2+]CCC2CCCC2)CC1 258962077 573830053 /nfs/dbraw/zinc/83/00/53/573830053.db2.gz ASXMRRXUMAXJIG-UHFFFAOYSA-N 2 1 182.311 1.648 10 0 ADAEMP CC(C)[C@@H](C)[N@H+](C)[C@@H](C)C(N)=[NH2+] 43515368 573830114 /nfs/dbraw/zinc/83/01/14/573830114.db2.gz XBYPZWYJCXEIDF-SFYZADRCSA-N 2 1 171.288 1.287 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=[NH2+] 43515368 573830119 /nfs/dbraw/zinc/83/01/19/573830119.db2.gz XBYPZWYJCXEIDF-SFYZADRCSA-N 2 1 171.288 1.287 10 0 ADAEMP CCC[NH+](CCC)[C@@H](C)C(N)=[NH2+] 43528385 573835186 /nfs/dbraw/zinc/83/51/86/573835186.db2.gz WRSALSQQGBQQED-QMMMGPOBSA-N 2 1 171.288 1.433 10 0 ADAEMP CC(C)CC[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238155483 573835209 /nfs/dbraw/zinc/83/52/09/573835209.db2.gz FVLUXWAZKQGENK-CNDDSTCGSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C(C)(C)C 258966705 573834652 /nfs/dbraw/zinc/83/46/52/573834652.db2.gz KZQRTJDJXILNAI-JTQLQIEISA-N 2 1 186.343 1.948 10 0 ADAEMP CC1CCC([C@H]([NH3+])C[NH3+])CC1 84339274 573834747 /nfs/dbraw/zinc/83/47/47/573834747.db2.gz NQHHJLYPLCQCRY-AMDVSUOASA-N 2 1 156.273 1.099 10 0 ADAEMP CC[C@@H](C[NH3+])C[C@H]1CC[N@@H+](C)C1 259573477 573834781 /nfs/dbraw/zinc/83/47/81/573834781.db2.gz YSEQBJLJQBWHJV-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](CC)C[NH3+] 43541263 573835220 /nfs/dbraw/zinc/83/52/20/573835220.db2.gz XJMWYQCCZWMVLY-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP CC(C)[C@@H]1C[N@@H+](C)CCCC[NH2+]1 238154633 573835008 /nfs/dbraw/zinc/83/50/08/573835008.db2.gz GXVIAZVMOBPBHJ-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@H+]1C[C@@H](CC[NH3+])CC1(C)C 259207681 573839043 /nfs/dbraw/zinc/83/90/43/573839043.db2.gz CJRZVKPECKNFMQ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@H]1CCC[C@H](C)C1 84342411 573839108 /nfs/dbraw/zinc/83/91/08/573839108.db2.gz CZATYAOQYOSPMZ-LPEHRKFASA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@@H]1CCC[C@@H](C)C1 84342413 573839179 /nfs/dbraw/zinc/83/91/79/573839179.db2.gz CZATYAOQYOSPMZ-OPRDCNLKSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1CCC[C@H]([C@H]([NH3+])C[NH3+])C1 84342077 573840041 /nfs/dbraw/zinc/84/00/41/573840041.db2.gz DTKFUWWXOHNRFT-HRDYMLBCSA-N 2 1 156.273 1.099 10 0 ADAEMP [NH3+][C@@H](c1cccs1)[C@H]1CC[NH2+]C1 259575375 573840558 /nfs/dbraw/zinc/84/05/58/573840558.db2.gz YVTQVUHWIQSMMT-IONNQARKSA-N 2 1 182.292 1.357 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87232772 573844020 /nfs/dbraw/zinc/84/40/20/573844020.db2.gz ZOHYRBCFHSUHEN-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CC1(C)CC[N@H+]([C@H]2CCC[C@@H]2N)C1 87252137 573844149 /nfs/dbraw/zinc/84/41/49/573844149.db2.gz ZSBZWJYJCZZDPK-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCN([C@H]2CCC[C@@H]2[NH3+])C1 87252137 573844152 /nfs/dbraw/zinc/84/41/52/573844152.db2.gz ZSBZWJYJCZZDPK-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)C1 87252224 573844333 /nfs/dbraw/zinc/84/43/33/573844333.db2.gz NMYLJPFGNUMQID-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)CC[N@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 308449582 573844355 /nfs/dbraw/zinc/84/43/55/573844355.db2.gz ATMNKVGQKWYFEU-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@@H](C[N@@H+]1CCC(C)(C)C1)[NH2+]C 87252160 573844405 /nfs/dbraw/zinc/84/44/05/573844405.db2.gz DZVUBEYMSLFPIM-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C[N@H+]1CCC(C)(C)C1)[NH2+]C 87252160 573844409 /nfs/dbraw/zinc/84/44/09/573844409.db2.gz DZVUBEYMSLFPIM-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@]1([C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258158821 573844670 /nfs/dbraw/zinc/84/46/70/573844670.db2.gz KWCIRWPNIBWARS-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](N)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252189 573845779 /nfs/dbraw/zinc/84/57/79/573845779.db2.gz HIYCQPDTTPHOHQ-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)N1CCC(C)(C)C1 87252189 573845785 /nfs/dbraw/zinc/84/57/85/573845785.db2.gz HIYCQPDTTPHOHQ-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CN[C@H]1CCC[C@@H]1[N@@H+]1CCC(C)(C)C1 87252172 573845826 /nfs/dbraw/zinc/84/58/26/573845826.db2.gz ZDKWSAWPADDVSP-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CN[C@H]1CCC[C@@H]1[N@H+]1CCC(C)(C)C1 87252172 573845827 /nfs/dbraw/zinc/84/58/27/573845827.db2.gz ZDKWSAWPADDVSP-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]2CC[NH2+]C(C)(C)C2)C1 258159790 573845904 /nfs/dbraw/zinc/84/59/04/573845904.db2.gz BKSZMMYLYBNNRL-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1(C)CC[N@H+]([C@@H]2CCC[C@@H]2C[NH3+])C1 87232797 573845907 /nfs/dbraw/zinc/84/59/07/573845907.db2.gz UNZMCFSMJWIORO-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1[C@H](C[NH3+])CC[N@H+]1Cc1ccco1 259209764 573846080 /nfs/dbraw/zinc/84/60/80/573846080.db2.gz CMKUOZNNRMHVDQ-ZJUUUORDSA-N 2 1 194.278 1.449 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2CC[NH2+]C(C)(C)C2)C1 258159792 573846134 /nfs/dbraw/zinc/84/61/34/573846134.db2.gz BKSZMMYLYBNNRL-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+](C(C)C)[C@@H](CC)C(N)=[NH2+] 43545531 573846144 /nfs/dbraw/zinc/84/61/44/573846144.db2.gz KVSUINWJYDTOPB-VIFPVBQESA-N 2 1 185.315 1.821 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@@H](CC)C(N)=[NH2+] 43545531 573846149 /nfs/dbraw/zinc/84/61/49/573846149.db2.gz KVSUINWJYDTOPB-VIFPVBQESA-N 2 1 185.315 1.821 10 0 ADAEMP C[NH2+]C/C=C\C[C@H]1CC[N@@H+](C)C1 258158880 573846212 /nfs/dbraw/zinc/84/62/12/573846212.db2.gz KWNJJOOJJLBPMR-XOULXFPDSA-N 2 1 168.284 1.104 10 0 ADAEMP CN[C@H]1CCC[C@H]1[N@@H+]1CCC(C)(C)C1 87252170 573846223 /nfs/dbraw/zinc/84/62/23/573846223.db2.gz ZDKWSAWPADDVSP-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@@]1([C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258158817 573846225 /nfs/dbraw/zinc/84/62/25/573846225.db2.gz KWCIRWPNIBWARS-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CN[C@H]1CCC[C@H]1[N@H+]1CCC(C)(C)C1 87252170 573846232 /nfs/dbraw/zinc/84/62/32/573846232.db2.gz ZDKWSAWPADDVSP-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH+](CCC)[C@@H](CC)C(N)=[NH2+] 43545421 573849576 /nfs/dbraw/zinc/84/95/76/573849576.db2.gz JVKYKURMWBSOML-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87232774 573849594 /nfs/dbraw/zinc/84/95/94/573849594.db2.gz ZOHYRBCFHSUHEN-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1[C@@H](C[NH3+])CC[N@H+]1Cc1ccco1 259209757 573849610 /nfs/dbraw/zinc/84/96/10/573849610.db2.gz CMKUOZNNRMHVDQ-VHSXEESVSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]([C@@H](C)N)[N@H+]1CCC(C)(C)C1 87252194 573849196 /nfs/dbraw/zinc/84/91/96/573849196.db2.gz HIYCQPDTTPHOHQ-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])N1CCC(C)(C)C1 87252194 573849201 /nfs/dbraw/zinc/84/92/01/573849201.db2.gz HIYCQPDTTPHOHQ-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H](N)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252110 573849222 /nfs/dbraw/zinc/84/92/22/573849222.db2.gz JPAAGIBHRYUTLQ-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)N1CCC(C)(C)C1 87252110 573849226 /nfs/dbraw/zinc/84/92/26/573849226.db2.gz JPAAGIBHRYUTLQ-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC1(C)CC[N@H+]([C@H]2CCCC[C@@H]2N)C1 87252036 573849279 /nfs/dbraw/zinc/84/92/79/573849279.db2.gz RKQSDHJQLHOFRJ-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCN([C@H]2CCCC[C@@H]2[NH3+])C1 87252036 573849284 /nfs/dbraw/zinc/84/92/84/573849284.db2.gz RKQSDHJQLHOFRJ-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CCC(C)(C)C1 87252246 573849319 /nfs/dbraw/zinc/84/93/19/573849319.db2.gz ZZOOGKZRDYOUMO-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CCC(C)(C)C1 87252246 573849324 /nfs/dbraw/zinc/84/93/24/573849324.db2.gz ZZOOGKZRDYOUMO-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@H](C)Cn1c[nH+]cc1CC[NH3+] 131347566 573849356 /nfs/dbraw/zinc/84/93/56/573849356.db2.gz OIABVPLHGRQRMO-VIFPVBQESA-N 2 1 181.283 1.430 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)CC 43545539 573849384 /nfs/dbraw/zinc/84/93/84/573849384.db2.gz PVHQUUDXOPORSF-SFYZADRCSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)[C@H](C)CC 43545539 573849387 /nfs/dbraw/zinc/84/93/87/573849387.db2.gz PVHQUUDXOPORSF-SFYZADRCSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](CC)[C@H](C)CC 43545545 573849422 /nfs/dbraw/zinc/84/94/22/573849422.db2.gz YNAGULZMBNOLRR-BDAKNGLRSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](CC)[C@H](C)CC 43545545 573849428 /nfs/dbraw/zinc/84/94/28/573849428.db2.gz YNAGULZMBNOLRR-BDAKNGLRSA-N 2 1 185.315 1.821 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CCC1)C1CCC1 258517165 573849481 /nfs/dbraw/zinc/84/94/81/573849481.db2.gz LYDUKYWKQBWTKI-SNVBAGLBSA-N 2 1 168.284 1.256 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCC(C)(C)C1 87232809 573849535 /nfs/dbraw/zinc/84/95/35/573849535.db2.gz XHHCZLFAHIPRTC-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC(C)(C)C1 87254986 573850610 /nfs/dbraw/zinc/85/06/10/573850610.db2.gz JRWMPJYUMHBSML-WDEREUQCSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@H]1CCNC[C@H]1[N@@H+]1CCC(C)(C)C1 87254861 573851276 /nfs/dbraw/zinc/85/12/76/573851276.db2.gz DZQBIIUZDKALSM-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCNC[C@H]1[N@H+]1CCC(C)(C)C1 87254861 573851280 /nfs/dbraw/zinc/85/12/80/573851280.db2.gz DZQBIIUZDKALSM-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CCC[C@@H]1CCC[NH2+]C1)C1CC1 43591850 573851335 /nfs/dbraw/zinc/85/13/35/573851335.db2.gz GQPAFDSXWBKCSY-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@H](F)C[NH3+])C1 257889367 573850679 /nfs/dbraw/zinc/85/06/79/573850679.db2.gz NEJVFUNFCYVVAA-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@@]2(C)CCC[NH2+]2)C1 258161300 573850838 /nfs/dbraw/zinc/85/08/38/573850838.db2.gz KYAOBJDYSODJMR-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC1(C)CC[N@@H+](CC2(N)CCCC2)C1 87254981 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WSENCQFCFRMZKA-UHFFFAOYSA-N 2 1 188.274 1.474 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 87255036 573851026 /nfs/dbraw/zinc/85/10/26/573851026.db2.gz MRENGSUSGBQTML-WDEREUQCSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258824 573852690 /nfs/dbraw/zinc/85/26/90/573852690.db2.gz FNUNJHGQXYNIHM-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+]1CCC(C)(C)C1 87258824 573852693 /nfs/dbraw/zinc/85/26/93/573852693.db2.gz FNUNJHGQXYNIHM-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H]2C[NH2+][C@H](C)C2)C1 258154151 573853403 /nfs/dbraw/zinc/85/34/03/573853403.db2.gz KOJAHUOPECXIKK-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254790 573852748 /nfs/dbraw/zinc/85/27/48/573852748.db2.gz UHAJXEILAMIPCZ-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@@H](F)C[NH3+])C1 257889370 573852820 /nfs/dbraw/zinc/85/28/20/573852820.db2.gz NEJVFUNFCYVVAA-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@]2(C)CCC[NH2+]2)C1 258161303 573852988 /nfs/dbraw/zinc/85/29/88/573852988.db2.gz KYAOBJDYSODJMR-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@H+]1CCC(C)(C)C1 87255041 573853012 /nfs/dbraw/zinc/85/30/12/573853012.db2.gz HOZAOYUZAOEHCU-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC(C)(C)[N@H+]1CCCNCC1 122918355 573853183 /nfs/dbraw/zinc/85/31/83/573853183.db2.gz DIVOBGNCDZQHNL-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC(C)(C)C1 87254984 573854605 /nfs/dbraw/zinc/85/46/05/573854605.db2.gz JRWMPJYUMHBSML-GHMZBOCLSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1CCNC[C@@H]1[N@@H+]1CCC(C)(C)C1 87254856 573854622 /nfs/dbraw/zinc/85/46/22/573854622.db2.gz DZQBIIUZDKALSM-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCNC[C@@H]1[N@H+]1CCC(C)(C)C1 87254856 573854629 /nfs/dbraw/zinc/85/46/29/573854629.db2.gz DZQBIIUZDKALSM-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2C[N@H+]1C 238166262 573854652 /nfs/dbraw/zinc/85/46/52/573854652.db2.gz GCHWYQIAOPTCNE-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H](N)C[N@H+]1CCC(C)(C)C1 87255120 573854655 /nfs/dbraw/zinc/85/46/55/573854655.db2.gz XPSKZBKLFYBSIC-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H]([NH3+])CN1CCC(C)(C)C1 87255120 573854661 /nfs/dbraw/zinc/85/46/61/573854661.db2.gz XPSKZBKLFYBSIC-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC(C)(C)C1 87254813 573854687 /nfs/dbraw/zinc/85/46/87/573854687.db2.gz MVQZDVAIFIDDAX-MRVPVSSYSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254813 573854691 /nfs/dbraw/zinc/85/46/91/573854691.db2.gz MVQZDVAIFIDDAX-MRVPVSSYSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@H+]1CCC(C)(C)C1 87255045 573854756 /nfs/dbraw/zinc/85/47/56/573854756.db2.gz HOZAOYUZAOEHCU-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCNC[C@H]1[N@@H+]1CCC(C)(C)C1 87254859 573854799 /nfs/dbraw/zinc/85/47/99/573854799.db2.gz DZQBIIUZDKALSM-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCNC[C@H]1[N@H+]1CCC(C)(C)C1 87254859 573854805 /nfs/dbraw/zinc/85/48/05/573854805.db2.gz DZQBIIUZDKALSM-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1(C)CC[N@H+](C[C@](C)(N)C2CC2)C1 87255151 573855031 /nfs/dbraw/zinc/85/50/31/573855031.db2.gz DQUOYJPWGCHIAB-LBPRGKRZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CCN(C[C@](C)([NH3+])C2CC2)C1 87255151 573855034 /nfs/dbraw/zinc/85/50/34/573855034.db2.gz DQUOYJPWGCHIAB-LBPRGKRZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 87255097 573855118 /nfs/dbraw/zinc/85/51/18/573855118.db2.gz YDZNINKZPNDRQM-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(C)CC[N@H+](C2CCC([NH3+])CC2)C1 87254666 573856334 /nfs/dbraw/zinc/85/63/34/573856334.db2.gz NYMYYFBYCQQIFE-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C[N@H+]1CCC(C)(C)C1)C(N)=[NH2+] 87254797 573856484 /nfs/dbraw/zinc/85/64/84/573856484.db2.gz DFPWKMFHDSLVLO-MRVPVSSYSA-N 2 1 183.299 1.290 10 0 ADAEMP CC[C@@]1(C[C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258163560 573856664 /nfs/dbraw/zinc/85/66/64/573856664.db2.gz LBLMZCSJBDHMKR-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@@H+]1C 238166370 573856679 /nfs/dbraw/zinc/85/66/79/573856679.db2.gz GCHWYQIAOPTCNE-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@H+]1C 238166370 573856683 /nfs/dbraw/zinc/85/66/83/573856683.db2.gz GCHWYQIAOPTCNE-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@]1([NH3+])CCC[N@@H+](C)CC1 84331912 573857052 /nfs/dbraw/zinc/85/70/52/573857052.db2.gz RDQBVHVGRGHDSW-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CC[N@H+](C)C1 84329082 573857740 /nfs/dbraw/zinc/85/77/40/573857740.db2.gz USDRDOOPRKKMPU-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CC[N@@H+](C)C1 84329082 573857744 /nfs/dbraw/zinc/85/77/44/573857744.db2.gz USDRDOOPRKKMPU-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2C[N@H+]1C(C)C 251795354 573857318 /nfs/dbraw/zinc/85/73/18/573857318.db2.gz XSLABPBVYIMOOF-MXWKQRLJSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[N@@H+](C)C(C)(C)C 258973149 573857434 /nfs/dbraw/zinc/85/74/34/573857434.db2.gz LODFHIZVEHPAHM-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP c1c[nH+]c(CCNc2cc[nH+]cc2)[nH]1 125282088 573857638 /nfs/dbraw/zinc/85/76/38/573857638.db2.gz HOHCFNKECDSKIO-UHFFFAOYSA-N 2 1 188.234 1.459 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])CC[N@H+](C)C1 84329076 573857678 /nfs/dbraw/zinc/85/76/78/573857678.db2.gz USDRDOOPRKKMPU-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])CC[N@@H+](C)C1 84329076 573857680 /nfs/dbraw/zinc/85/76/80/573857680.db2.gz USDRDOOPRKKMPU-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1/C=C\CC[NH3+] 258163461 573858048 /nfs/dbraw/zinc/85/80/48/573858048.db2.gz KZRYRLJCTHXVTD-UFVHFEBBSA-N 2 1 182.311 1.766 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1/C=C\CC[NH3+] 258163460 573858093 /nfs/dbraw/zinc/85/80/93/573858093.db2.gz KZRYRLJCTHXVTD-KGHNQEBZSA-N 2 1 182.311 1.766 10 0 ADAEMP CC[C@@]1(C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258163565 573858121 /nfs/dbraw/zinc/85/81/21/573858121.db2.gz LBLMZCSJBDHMKR-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[C@H](C[N@@H+]2CC=CCC2)CC[NH2+]1 235661512 573858186 /nfs/dbraw/zinc/85/81/86/573858186.db2.gz CFTYTENJFBSXTF-NWDGAFQWSA-N 2 1 194.322 1.636 10 0 ADAEMP CCC[C@]1([NH3+])CCC[N@H+](C)C1 84329069 573858328 /nfs/dbraw/zinc/85/83/28/573858328.db2.gz IDDNWSJZGQFPAP-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[C@]1([NH3+])CCC[N@@H+](C)C1 84329069 573858337 /nfs/dbraw/zinc/85/83/37/573858337.db2.gz IDDNWSJZGQFPAP-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C 84329089 573858367 /nfs/dbraw/zinc/85/83/67/573858367.db2.gz OZOUPUPDKZFIQY-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H]1[C@@H]([NH3+])CC[N@H+]1C(C)C 84329193 573860826 /nfs/dbraw/zinc/86/08/26/573860826.db2.gz LNUGLJSSOUEVSV-IUCAKERBSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CC 43820335 573860928 /nfs/dbraw/zinc/86/09/28/573860928.db2.gz FGSLCCCBUHVTSA-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CC 43820335 573860934 /nfs/dbraw/zinc/86/09/34/573860934.db2.gz FGSLCCCBUHVTSA-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[NH+]1CCCC1 43807553 573860974 /nfs/dbraw/zinc/86/09/74/573860974.db2.gz WIHFCBGKUOINKC-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](CC)C1CC1 43821320 573860998 /nfs/dbraw/zinc/86/09/98/573860998.db2.gz KKDWWOCSZNGJNW-MWLCHTKSSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](CC)C1CC1 43821320 573861002 /nfs/dbraw/zinc/86/10/02/573861002.db2.gz KKDWWOCSZNGJNW-MWLCHTKSSA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[C@@]1([NH3+])CCC[N@@H+](C)CC1 84331914 573861011 /nfs/dbraw/zinc/86/10/11/573861011.db2.gz ACXSUXIXLBAQNS-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])CCC[N@H+](C)C1 84331919 573861053 /nfs/dbraw/zinc/86/10/53/573861053.db2.gz VYDPLCJYKRQCOY-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])CCC[N@@H+](C)C1 84331919 573861060 /nfs/dbraw/zinc/86/10/60/573861060.db2.gz VYDPLCJYKRQCOY-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CC 43820604 573861122 /nfs/dbraw/zinc/86/11/22/573861122.db2.gz WAAYNIDKMKQSDQ-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CC 43820604 573861127 /nfs/dbraw/zinc/86/11/27/573861127.db2.gz WAAYNIDKMKQSDQ-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)C[C@]1([NH3+])CCC[N@H+](C)C1 84331915 573861168 /nfs/dbraw/zinc/86/11/68/573861168.db2.gz WNXDKQBRNBBASM-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[C@]1([NH3+])CCC[N@@H+](C)C1 84331915 573861172 /nfs/dbraw/zinc/86/11/72/573861172.db2.gz WNXDKQBRNBBASM-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP 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XNLZFOPRYAYKSG-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+](C)CCC(C)C 43914859 573871169 /nfs/dbraw/zinc/87/11/69/573871169.db2.gz ANEFDTAMJVXLFH-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+](C)CCC(C)C 43914859 573871176 /nfs/dbraw/zinc/87/11/76/573871176.db2.gz ANEFDTAMJVXLFH-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)CC1CC1 43905195 573871266 /nfs/dbraw/zinc/87/12/66/573871266.db2.gz YLYXNYVTEHPPGZ-MWLCHTKSSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)CC1CC1 43905195 573871270 /nfs/dbraw/zinc/87/12/70/573871270.db2.gz YLYXNYVTEHPPGZ-MWLCHTKSSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C 43816288 573871332 /nfs/dbraw/zinc/87/13/32/573871332.db2.gz AWIAISJZIBSFKV-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@](C)(C[NH3+])CC1CCCC1 689862420 573871350 /nfs/dbraw/zinc/87/13/50/573871350.db2.gz GRSKTYQVXXOIPS-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)CC1CC1 43905199 573871456 /nfs/dbraw/zinc/87/14/56/573871456.db2.gz YLYXNYVTEHPPGZ-ONGXEEELSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)CC1CC1 43905199 573871461 /nfs/dbraw/zinc/87/14/61/573871461.db2.gz YLYXNYVTEHPPGZ-ONGXEEELSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[N@H+](C)C[C@@H]([NH2+]C)C(C)(C)C 43885827 573871483 /nfs/dbraw/zinc/87/14/83/573871483.db2.gz NLTMFIOXVIKSJQ-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]([NH2+]C)C(C)(C)C 43885827 573871489 /nfs/dbraw/zinc/87/14/89/573871489.db2.gz NLTMFIOXVIKSJQ-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[NH+]1CCCCC1 43813933 573871502 /nfs/dbraw/zinc/87/15/02/573871502.db2.gz YHUGTIUJXRJFMB-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)CCC(C)C)CC1 258978567 573871639 /nfs/dbraw/zinc/87/16/39/573871639.db2.gz UJLPFGOSTSMUCG-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CCCCC[N@H+](C)C[C@@H](C)[NH2+]C 43889157 573871643 /nfs/dbraw/zinc/87/16/43/573871643.db2.gz RZWYULAICRACJY-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCCCC[N@@H+](C)C[C@@H](C)[NH2+]C 43889157 573871647 /nfs/dbraw/zinc/87/16/47/573871647.db2.gz RZWYULAICRACJY-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP Cc1ccccc1[C@]1(N)CC[N@@H+](C)C1 84350519 573871845 /nfs/dbraw/zinc/87/18/45/573871845.db2.gz ICUXFQSSNYZUPQ-LBPRGKRZSA-N 2 1 190.290 1.485 10 0 ADAEMP Cc1ccccc1[C@]1(N)CC[N@H+](C)C1 84350519 573871851 /nfs/dbraw/zinc/87/18/51/573871851.db2.gz ICUXFQSSNYZUPQ-LBPRGKRZSA-N 2 1 190.290 1.485 10 0 ADAEMP CCC[NH2+][C@H]1CCCC[C@H]1[NH+](C)C 43816291 573872470 /nfs/dbraw/zinc/87/24/70/573872470.db2.gz AWIAISJZIBSFKV-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]CC[NH2+]CCCCC1CC1 716313101 573872573 /nfs/dbraw/zinc/87/25/73/573872573.db2.gz JZPQXKUNOUDDFM-UHFFFAOYSA-N 2 1 184.327 1.766 10 0 ADAEMP CCC[N@H+](C)C[C@H]([NH2+]C)C(C)(C)C 43885825 573872678 /nfs/dbraw/zinc/87/26/78/573872678.db2.gz NLTMFIOXVIKSJQ-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)C[C@H]([NH2+]C)C(C)(C)C 43885825 573872684 /nfs/dbraw/zinc/87/26/84/573872684.db2.gz NLTMFIOXVIKSJQ-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+](C)CC1CC1 43906519 573872713 /nfs/dbraw/zinc/87/27/13/573872713.db2.gz UMIQXMCQPCOMQV-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+](C)CC1CC1 43906519 573872719 /nfs/dbraw/zinc/87/27/19/573872719.db2.gz UMIQXMCQPCOMQV-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H](c1ccoc1)[NH+]1CCC([NH3+])CC1 87290676 573872731 /nfs/dbraw/zinc/87/27/31/573872731.db2.gz POAYYBBAZPCGSJ-VIFPVBQESA-N 2 1 194.278 1.764 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[NH+]1CCCCC1 43813939 573872783 /nfs/dbraw/zinc/87/27/83/573872783.db2.gz YHUGTIUJXRJFMB-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)C(C)C 43813090 573872796 /nfs/dbraw/zinc/87/27/96/573872796.db2.gz SBHDZBGRGWXZSF-VHSXEESVSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)C(C)C 43813090 573872800 /nfs/dbraw/zinc/87/28/00/573872800.db2.gz SBHDZBGRGWXZSF-VHSXEESVSA-N 2 1 172.316 1.713 10 0 ADAEMP C[C@H]([NH3+])c1cnc([C@@H]2CCCC[NH2+]2)o1 258169862 573872832 /nfs/dbraw/zinc/87/28/32/573872832.db2.gz RIVMIWUUKYJHDN-YUMQZZPRSA-N 2 1 195.266 1.509 10 0 ADAEMP Cc1ccccc1[C@@]1(N)CC[N@@H+](C)C1 84350531 573872939 /nfs/dbraw/zinc/87/29/39/573872939.db2.gz ICUXFQSSNYZUPQ-GFCCVEGCSA-N 2 1 190.290 1.485 10 0 ADAEMP Cc1ccccc1[C@@]1(N)CC[N@H+](C)C1 84350531 573872945 /nfs/dbraw/zinc/87/29/45/573872945.db2.gz ICUXFQSSNYZUPQ-GFCCVEGCSA-N 2 1 190.290 1.485 10 0 ADAEMP CC[C@H]([NH3+])[C@H]([NH+]1CCC1)C(C)(C)C 393567428 573872998 /nfs/dbraw/zinc/87/29/98/573872998.db2.gz OGXQVMYMEZXUMK-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+](C)CC1CC1 43905947 573873005 /nfs/dbraw/zinc/87/30/05/573873005.db2.gz LOAOMMSMACXKIW-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+](C)CC1CC1 43905947 573873011 /nfs/dbraw/zinc/87/30/11/573873011.db2.gz LOAOMMSMACXKIW-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+](C)CC1CC1 43905944 573873021 /nfs/dbraw/zinc/87/30/21/573873021.db2.gz LOAOMMSMACXKIW-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+](C)CC1CC1 43905944 573873029 /nfs/dbraw/zinc/87/30/29/573873029.db2.gz LOAOMMSMACXKIW-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@H+](CC)[C@H]1CCC[C@@H]1NC 43884316 573874686 /nfs/dbraw/zinc/87/46/86/573874686.db2.gz FKTFZWQVPHOIGN-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CCC[C@@H]1NC 43884316 573874693 /nfs/dbraw/zinc/87/46/93/573874693.db2.gz FKTFZWQVPHOIGN-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCCC[N@H+](C)C[C@H](C)[NH2+]C 43889159 573873929 /nfs/dbraw/zinc/87/39/29/573873929.db2.gz RZWYULAICRACJY-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCCCC[N@@H+](C)C[C@H](C)[NH2+]C 43889159 573873936 /nfs/dbraw/zinc/87/39/36/573873936.db2.gz RZWYULAICRACJY-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCCC[N@H+](C[C@H](C)[NH2+]C)C1CC1 43968077 573874041 /nfs/dbraw/zinc/87/40/41/573874041.db2.gz PFLQIQPAHIGGBI-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@@H+](C[C@H](C)[NH2+]C)C1CC1 43968077 573874045 /nfs/dbraw/zinc/87/40/45/573874045.db2.gz PFLQIQPAHIGGBI-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)C(C)C 43813086 573874246 /nfs/dbraw/zinc/87/42/46/573874246.db2.gz SBHDZBGRGWXZSF-NXEZZACHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)C(C)C 43813086 573874251 /nfs/dbraw/zinc/87/42/51/573874251.db2.gz SBHDZBGRGWXZSF-NXEZZACHSA-N 2 1 172.316 1.713 10 0 ADAEMP CCC[C@@H]([NH2+]C)[C@@H](CC)[NH+](C)C 43815917 573874330 /nfs/dbraw/zinc/87/43/30/573874330.db2.gz XNLZFOPRYAYKSG-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1NC 43887205 573874374 /nfs/dbraw/zinc/87/43/74/573874374.db2.gz HUJDNPUNXHCGEZ-OUAUKWLOSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1NC 43887205 573874376 /nfs/dbraw/zinc/87/43/76/573874376.db2.gz HUJDNPUNXHCGEZ-OUAUKWLOSA-N 2 1 184.327 1.857 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+](C)[C@H](C)C1CC1 43894854 573874507 /nfs/dbraw/zinc/87/45/07/573874507.db2.gz DESDQJAXIVOZJI-KXUCPTDWSA-N 2 1 184.327 1.713 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@@H+](C)[C@H](C)C1CC1 43894854 573874510 /nfs/dbraw/zinc/87/45/10/573874510.db2.gz DESDQJAXIVOZJI-KXUCPTDWSA-N 2 1 184.327 1.713 10 0 ADAEMP Cc1[nH+]c(CC(C)C)[nH]c1C1C[NH2+]C1 257891767 573874552 /nfs/dbraw/zinc/87/45/52/573874552.db2.gz XFIUDIJJIFOMTR-UHFFFAOYSA-N 2 1 193.294 1.603 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)C(C)(C)C 258976089 573874577 /nfs/dbraw/zinc/87/45/77/573874577.db2.gz UMDCDEKTDPFLIH-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[N@H+](C)[C@@H](C)[C@@H](CC)[NH2+]C 43885853 573874596 /nfs/dbraw/zinc/87/45/96/573874596.db2.gz ZMUZUXSLBQBIJX-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)[C@@H](CC)[NH2+]C 43885853 573874599 /nfs/dbraw/zinc/87/45/99/573874599.db2.gz ZMUZUXSLBQBIJX-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@@H](C)NC 43904155 573875670 /nfs/dbraw/zinc/87/56/70/573875670.db2.gz JCZNROCIISPHNA-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C/C=C\C[N@H+](CC)CC1CC[NH2+]CC1 211749551 573875703 /nfs/dbraw/zinc/87/57/03/573875703.db2.gz RQFWEYQBTNYKDK-HYXAFXHYSA-N 2 1 196.338 1.884 10 0 ADAEMP CCC[N@@H+](C)CC[C@H](C)[NH2+]C 43885995 573875109 /nfs/dbraw/zinc/87/51/09/573875109.db2.gz DANPZOHIFFLMKI-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@H+]1CC2CCC1CC2 308460482 573875122 /nfs/dbraw/zinc/87/51/22/573875122.db2.gz DAXQIBNCCGRTIJ-VOMCLLRMSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C)CC[C@H](C)[NH2+]CC 43886207 573875284 /nfs/dbraw/zinc/87/52/84/573875284.db2.gz WZFNFRMJNVCARQ-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)C(C)(C)C 258976088 573875322 /nfs/dbraw/zinc/87/53/22/573875322.db2.gz UMDCDEKTDPFLIH-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H]([NH3+])c1cnc([C@@H]2CCCC[NH2+]2)o1 258169857 573875372 /nfs/dbraw/zinc/87/53/72/573875372.db2.gz RIVMIWUUKYJHDN-SFYZADRCSA-N 2 1 195.266 1.509 10 0 ADAEMP C[N@H+]1CCC[C@H](CCC2([NH3+])CCC2)C1 258168853 573875431 /nfs/dbraw/zinc/87/54/31/573875431.db2.gz XGWHJJUTTXLGGL-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H]([NH3+])[C@@H]([NH+]1CCC1)C(C)(C)C 393567429 573875576 /nfs/dbraw/zinc/87/55/76/573875576.db2.gz OGXQVMYMEZXUMK-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@H+](CC)[C@@H]1CCC[C@@H]1NC 43884314 573875633 /nfs/dbraw/zinc/87/56/33/573875633.db2.gz FKTFZWQVPHOIGN-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1NC 43884314 573875640 /nfs/dbraw/zinc/87/56/40/573875640.db2.gz FKTFZWQVPHOIGN-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1C[C@@H](C)NC 43904155 573875665 /nfs/dbraw/zinc/87/56/65/573875665.db2.gz JCZNROCIISPHNA-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CCC=C(C[NH2+]C2CCC2)C1 258171134 573877161 /nfs/dbraw/zinc/87/71/61/573877161.db2.gz SCLIVVYPBOSUTB-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@H+]1CC2CCC1CC2 308460481 573877216 /nfs/dbraw/zinc/87/72/16/573877216.db2.gz DAXQIBNCCGRTIJ-UNXYVOJBSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2C[C@@H]3C[C@@H]3[C@@H]2C1 238555935 573877444 /nfs/dbraw/zinc/87/74/44/573877444.db2.gz YWEAIZRLJPZNDN-RCWTZXSCSA-N 2 1 180.295 1.066 10 0 ADAEMP C[NH2+]C[C@@]1([C@@H]2CC[N@@H+](C)C2)CC1(C)C 258982164 573877579 /nfs/dbraw/zinc/87/75/79/573877579.db2.gz JVOZCFAZKPZWMX-ZYHUDNBSSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[NH2+][C@@H](CC[NH+](C)C)c1ccc[nH]1 308460582 573877663 /nfs/dbraw/zinc/87/76/63/573877663.db2.gz GARLZDZDPLSDAP-NSHDSACASA-N 2 1 195.310 1.617 10 0 ADAEMP [NH3+]C[C@H]1CCC[NH2+][C@H]1c1cncs1 238556010 573879237 /nfs/dbraw/zinc/87/92/37/573879237.db2.gz XSMLKFQLMXAZRJ-VXNVDRBHSA-N 2 1 197.307 1.143 10 0 ADAEMP C[N@@H+](CCCF)CC1(CC[NH3+])CC1 716823995 573879288 /nfs/dbraw/zinc/87/92/88/573879288.db2.gz VVGLQBYKGOTNRL-UHFFFAOYSA-N 2 1 188.290 1.407 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)n1cc[nH+]c1C 43994410 573879445 /nfs/dbraw/zinc/87/94/45/573879445.db2.gz FGSJIGXZWUUXMS-PSASIEDQSA-N 2 1 181.283 1.751 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 40621936 573879480 /nfs/dbraw/zinc/87/94/80/573879480.db2.gz VFPSQTULXPQQHN-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](CC1CC1)C[C@@H](C)NC 43967367 573879491 /nfs/dbraw/zinc/87/94/91/573879491.db2.gz AWESNXIQTTYXEY-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+](CC1CC1)C[C@@H](C)NC 43967367 573879496 /nfs/dbraw/zinc/87/94/96/573879496.db2.gz AWESNXIQTTYXEY-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)n1cc[nH+]c1C 43994414 573879530 /nfs/dbraw/zinc/87/95/30/573879530.db2.gz FGSJIGXZWUUXMS-WCBMZHEXSA-N 2 1 181.283 1.751 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@H](C)[NH2+]C 44036688 573879636 /nfs/dbraw/zinc/87/96/36/573879636.db2.gz RXPGWSRTQYHDFJ-DTWKUNHWSA-N 2 1 181.283 1.614 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)C2CCCC2)CC1 258980481 573879644 /nfs/dbraw/zinc/87/96/44/573879644.db2.gz UPIPUKLADQJFNG-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H](C1CCC1)[N@H+]1CCCNCC1 76580742 573879854 /nfs/dbraw/zinc/87/98/54/573879854.db2.gz NIOPTJBMRBGZAV-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C 44036603 573879889 /nfs/dbraw/zinc/87/98/89/573879889.db2.gz VOCSLFWGIXGGLF-QMMMGPOBSA-N 2 1 167.256 1.053 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C 44036600 573880461 /nfs/dbraw/zinc/88/04/61/573880461.db2.gz VOCSLFWGIXGGLF-MRVPVSSYSA-N 2 1 167.256 1.053 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@@H](C)[NH2+]C 44036677 573880497 /nfs/dbraw/zinc/88/04/97/573880497.db2.gz RXPGWSRTQYHDFJ-BDAKNGLRSA-N 2 1 181.283 1.614 10 0 ADAEMP C[NH2+]C[C@@]1([C@H]2CC[N@@H+](C)C2)CC1(C)C 258982147 573880504 /nfs/dbraw/zinc/88/05/04/573880504.db2.gz JVOZCFAZKPZWMX-CMPLNLGQSA-N 2 1 196.338 1.574 10 0 ADAEMP CCc1[nH+]ccn1CC[C@H](C)[NH2+]C 44036596 573880641 /nfs/dbraw/zinc/88/06/41/573880641.db2.gz LKQYIWYWSQVCMT-VIFPVBQESA-N 2 1 181.283 1.444 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C2CC[NH2+]CC2)C1 259218223 573880719 /nfs/dbraw/zinc/88/07/19/573880719.db2.gz KDPWLBBDAONFCF-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@]1([C@@H]2CC[N@@H+](C)C2)CC1(C)C 258982158 573880733 /nfs/dbraw/zinc/88/07/33/573880733.db2.gz JVOZCFAZKPZWMX-PWSUYJOCSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C2CC2)CC1(C)C 259218261 573880901 /nfs/dbraw/zinc/88/09/01/573880901.db2.gz KEGUHMIBEPVNRI-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1/C=C\C[NH2+]C 258170395 573880917 /nfs/dbraw/zinc/88/09/17/573880917.db2.gz LKIWIAYSTFDPDC-BPOWMSRESA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C2CC[NH2+]CC2)C1 259218226 573881046 /nfs/dbraw/zinc/88/10/46/573881046.db2.gz KDPWLBBDAONFCF-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[N@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259218258 573881060 /nfs/dbraw/zinc/88/10/60/573881060.db2.gz KEDIFLNBNGIFED-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP C/C=C\C[N@@H+](C)CC1CC[NH2+]CC1 211754391 573883584 /nfs/dbraw/zinc/88/35/84/573883584.db2.gz SPKPRNWFLGDGQK-ARJAWSKDSA-N 2 1 182.311 1.494 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)C1CCC1 127503399 573883637 /nfs/dbraw/zinc/88/36/37/573883637.db2.gz DWUQPQUIRLTLKH-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C)CC1(C)C 259219850 573883680 /nfs/dbraw/zinc/88/36/80/573883680.db2.gz CYEJXJALAVWDLR-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)C1CCC1 127503630 573885239 /nfs/dbraw/zinc/88/52/39/573885239.db2.gz DWUQPQUIRLTLKH-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP CCc1[nH]cc(C[C@@H]2CC[NH2+]C2)[nH+]1 257893489 573885834 /nfs/dbraw/zinc/88/58/34/573885834.db2.gz NSSYBGIXWPZFFQ-QMMMGPOBSA-N 2 1 179.267 1.124 10 0 ADAEMP [NH3+]C[C@@H]1CCC[NH2+][C@H]1c1cncs1 238560535 573885891 /nfs/dbraw/zinc/88/58/91/573885891.db2.gz XSMLKFQLMXAZRJ-IONNQARKSA-N 2 1 197.307 1.143 10 0 ADAEMP C[N@@H+](CCC1(C[NH3+])CCC1)C1CCC1 127512039 573889502 /nfs/dbraw/zinc/88/95/02/573889502.db2.gz KWOVSINBDRZKAC-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H](C[N@@H+](C)C1CCC1)[C@@H](C)[NH3+] 127512771 573889642 /nfs/dbraw/zinc/88/96/42/573889642.db2.gz MLKFDABBHARNES-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]C2CC2)CC1 76597113 573889695 /nfs/dbraw/zinc/88/96/95/573889695.db2.gz XNQYWQOMDIITAI-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)C[C@H]1[C@H]([NH3+])CC[N@H+]1C 76592045 573889764 /nfs/dbraw/zinc/88/97/64/573889764.db2.gz FHDVSJSOOGRRCQ-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+][C@H]1C[N@@H+](C(C)C)CCC1(C)C 259223072 573889793 /nfs/dbraw/zinc/88/97/93/573889793.db2.gz KKKDWWHPEWKKMM-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1C[N@H+](C(C)C)CCC1(C)C 259223072 573889799 /nfs/dbraw/zinc/88/97/99/573889799.db2.gz KKKDWWHPEWKKMM-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1C[C@H](CC[NH3+])CC[N@H+]1C 76591968 573889804 /nfs/dbraw/zinc/88/98/04/573889804.db2.gz KUGOIOBAWIRKSB-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H](C[NH3+])CCC[N@@H+](C)C1CCC1 127518386 573889808 /nfs/dbraw/zinc/88/98/08/573889808.db2.gz YVGBTOWBSJLTRB-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+][C@H]1CC[C@H]2CCCCC[N@@H+]2C1 238562026 573889925 /nfs/dbraw/zinc/88/99/25/573889925.db2.gz HWVRHOXBGOLEMR-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+][C@H]1CC[C@H]2CCCCC[N@H+]2C1 238562026 573889932 /nfs/dbraw/zinc/88/99/32/573889932.db2.gz HWVRHOXBGOLEMR-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP C[NH2+][C@@H]1C[N@@H+](C(C)C)CCC1(C)C 259223076 573893720 /nfs/dbraw/zinc/89/37/20/573893720.db2.gz KKKDWWHPEWKKMM-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1C[N@H+](C(C)C)CCC1(C)C 259223076 573893724 /nfs/dbraw/zinc/89/37/24/573893724.db2.gz KKKDWWHPEWKKMM-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 76598304 573894958 /nfs/dbraw/zinc/89/49/58/573894958.db2.gz GAGJBJJOJQXJKF-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1C(C)(C)C[NH3+] 259578396 573895008 /nfs/dbraw/zinc/89/50/08/573895008.db2.gz YLENCRFGPJPGQN-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C[NH3+])CC[N@@H+](C)C1CCC1 127527816 573895776 /nfs/dbraw/zinc/89/57/76/573895776.db2.gz RQPNWUGDBKVKOG-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@@H+](C)CC(C)(C)CC[NH3+] 258989279 573895119 /nfs/dbraw/zinc/89/51/19/573895119.db2.gz VTWGKXNGYZAXSP-UHFFFAOYSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC([NH3+])(CC)C[N@@H+](C)C1CCC1 127526415 573895170 /nfs/dbraw/zinc/89/51/70/573895170.db2.gz OXUHWDQWJLFXJL-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@]2(C[NH3+])CC2(C)C)C1 258993043 573895179 /nfs/dbraw/zinc/89/51/79/573895179.db2.gz LMSKAZDXWRAOLL-MWLCHTKSSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@]2(C[NH3+])CC2(C)C)C1 258993045 573895362 /nfs/dbraw/zinc/89/53/62/573895362.db2.gz LMSKAZDXWRAOLL-ONGXEEELSA-N 2 1 182.311 1.313 10 0 ADAEMP CCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 76598296 573895637 /nfs/dbraw/zinc/89/56/37/573895637.db2.gz VXGFFRAXTRWGQW-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)C1CCC1 127528500 573896740 /nfs/dbraw/zinc/89/67/40/573896740.db2.gz OKNKAWAWLKMVNM-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)[NH2+][C@H]1CCC[N@@H+](C)CC1 76598305 573895861 /nfs/dbraw/zinc/89/58/61/573895861.db2.gz GAGJBJJOJQXJKF-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1 258992752 573895872 /nfs/dbraw/zinc/89/58/72/573895872.db2.gz PKJVUVGWPKSSNY-MNOVXSKESA-N 2 1 191.278 1.051 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1 258992756 573895903 /nfs/dbraw/zinc/89/59/03/573895903.db2.gz PKJVUVGWPKSSNY-QWRGUYRKSA-N 2 1 191.278 1.051 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)Cc1cc[nH]c1 258993622 573895945 /nfs/dbraw/zinc/89/59/45/573895945.db2.gz WDHKNDMSBAWYNA-UHFFFAOYSA-N 2 1 195.310 1.446 10 0 ADAEMP CC[NH2+]CCC[NH2+]Cc1cncs1 131603256 573895999 /nfs/dbraw/zinc/89/59/99/573895999.db2.gz LXRJQLSIPOQLGI-UHFFFAOYSA-N 2 1 199.323 1.232 10 0 ADAEMP C[N@@H+](CC1(C[NH3+])CCCC1)C1CCC1 127527563 573896006 /nfs/dbraw/zinc/89/60/06/573896006.db2.gz YCRRFGCYZVKDMX-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[NH2+]CC1([C@@H]([NH3+])c2cccnc2)CC1 259578305 573896119 /nfs/dbraw/zinc/89/61/19/573896119.db2.gz VZPJFEUHXKASIT-JTQLQIEISA-N 2 1 191.278 1.081 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]Cc1cccc(C)c1 393596686 573896241 /nfs/dbraw/zinc/89/62/41/573896241.db2.gz HVENZXJSFQYWIN-LBPRGKRZSA-N 2 1 192.306 1.822 10 0 ADAEMP C[C@@H](N1CCC[NH2+]CC1)C1(C)CC1 87364813 573896244 /nfs/dbraw/zinc/89/62/44/573896244.db2.gz LVDXUFPGVMSHKT-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)C1CCC1 127528305 573896408 /nfs/dbraw/zinc/89/64/08/573896408.db2.gz OKNKAWAWLKMVNM-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@H+]1CC[C@H]([C@]2(C[NH3+])CC2(C)C)C1 258993040 573896433 /nfs/dbraw/zinc/89/64/33/573896433.db2.gz LMSKAZDXWRAOLL-GXSJLCMTSA-N 2 1 182.311 1.313 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1C(C)(C)C[NH3+] 259578393 573896513 /nfs/dbraw/zinc/89/65/13/573896513.db2.gz YLENCRFGPJPGQN-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]1C[C@@H](C)C[NH3+] 259578287 573896618 /nfs/dbraw/zinc/89/66/18/573896618.db2.gz YJLXIPDGIHGYPF-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]([NH3+])CCc1[nH]cc(C2CCC2)[nH+]1 258993413 573898149 /nfs/dbraw/zinc/89/81/49/573898149.db2.gz BHERPLDLKGEIGE-MRVPVSSYSA-N 2 1 193.294 1.957 10 0 ADAEMP CCCn1cc[nH+]c1CCC[NH3+] 44282736 573898151 /nfs/dbraw/zinc/89/81/51/573898151.db2.gz DATDQNSODAKCRY-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@@]2(C)CCC[NH2+]2)C1 258175177 573898368 /nfs/dbraw/zinc/89/83/68/573898368.db2.gz LTGODKBSCVTDML-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@H](C)C1=CC[N@H+](C(C)C)CC1 258175717 573898438 /nfs/dbraw/zinc/89/84/38/573898438.db2.gz SLHRXINDBWDMRS-SNVBAGLBSA-N 2 1 182.311 1.635 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])Cc1cc[nH]c1 258989293 573898470 /nfs/dbraw/zinc/89/84/70/573898470.db2.gz VUANMGCWHBZDKN-UHFFFAOYSA-N 2 1 195.310 1.574 10 0 ADAEMP Cc1c[nH+]ccc1OC1CC(C[NH3+])C1 84451324 573900220 /nfs/dbraw/zinc/90/02/20/573900220.db2.gz ZYFBGBOKDIFTOB-UHFFFAOYSA-N 2 1 192.262 1.506 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C1CCC1 127531959 573900989 /nfs/dbraw/zinc/90/09/89/573900989.db2.gz WHQVZYJQGWKEJY-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@@]1(C)C[NH3+] 308460933 573900267 /nfs/dbraw/zinc/90/02/67/573900267.db2.gz FOKMRWNKXKTTMX-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@]1(C)C[NH3+] 308460931 573900796 /nfs/dbraw/zinc/90/07/96/573900796.db2.gz FOKMRWNKXKTTMX-PWSUYJOCSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H](CC[NH2+]CC[NH3+])c1ccccc1 44427752 573902519 /nfs/dbraw/zinc/90/25/19/573902519.db2.gz UJTADGQHLQRVGD-LLVKDONJSA-N 2 1 192.306 1.729 10 0 ADAEMP CCC[N@H+](C[C@H](C)[NH2+]CC)C1CC1 44471914 573902568 /nfs/dbraw/zinc/90/25/68/573902568.db2.gz PZKUEYGJMDKLNY-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](C[C@H](C)[NH2+]CC)C1CC1 44471914 573902572 /nfs/dbraw/zinc/90/25/72/573902572.db2.gz PZKUEYGJMDKLNY-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]([C@H]2[NH2+]CCCO2)C1 258176133 573901843 /nfs/dbraw/zinc/90/18/43/573901843.db2.gz SBEKTBFWYIBDBI-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@H]2[NH2+]CCCO2)C1 258176133 573901847 /nfs/dbraw/zinc/90/18/47/573901847.db2.gz SBEKTBFWYIBDBI-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP CCC[N@H+](C[C@@H](C)[NH2+]C)C1CC1 44471905 573901930 /nfs/dbraw/zinc/90/19/30/573901930.db2.gz CWUAEMBVWSMNPC-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[N@@H+](C[C@@H](C)[NH2+]C)C1CC1 44471905 573901932 /nfs/dbraw/zinc/90/19/32/573901932.db2.gz CWUAEMBVWSMNPC-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)C1CCC1 127474704 573901970 /nfs/dbraw/zinc/90/19/70/573901970.db2.gz IFWMYSBLXAZFPO-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]CC2CC2)CC1 76607640 573902036 /nfs/dbraw/zinc/90/20/36/573902036.db2.gz JSKCCWRQOHQPNS-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@@H]2C1 76607476 573902231 /nfs/dbraw/zinc/90/22/31/573902231.db2.gz UKQPXTVZVWEMDK-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C 44471733 573904487 /nfs/dbraw/zinc/90/44/87/573904487.db2.gz CJKFRBXGPOLKRE-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C 44471733 573904493 /nfs/dbraw/zinc/90/44/93/573904493.db2.gz CJKFRBXGPOLKRE-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP C[C@H](C[C@@H]([NH3+])C[NH3+])c1ccccc1 44471865 573904797 /nfs/dbraw/zinc/90/47/97/573904797.db2.gz CKAVSXWCDGVIFT-MWLCHTKSSA-N 2 1 178.279 1.466 10 0 ADAEMP CC[N@H+]1CC[C@H](C(F)(F)CC[NH3+])C1 257895990 573904952 /nfs/dbraw/zinc/90/49/52/573904952.db2.gz XXDXSHBSGSQXOA-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C 238191242 573906112 /nfs/dbraw/zinc/90/61/12/573906112.db2.gz MAKPJTOIRLUZPV-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C 238191242 573906116 /nfs/dbraw/zinc/90/61/16/573906116.db2.gz MAKPJTOIRLUZPV-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCC[C@H]1CC 44472149 573906524 /nfs/dbraw/zinc/90/65/24/573906524.db2.gz GVEHPAAGQHNLOH-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)[C@@H](C)C1CC1 44380911 573906562 /nfs/dbraw/zinc/90/65/62/573906562.db2.gz CQNCYLMUINNBLV-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)[C@@H](C)C1CC1 44380911 573906565 /nfs/dbraw/zinc/90/65/65/573906565.db2.gz CQNCYLMUINNBLV-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CCC1)C1CCC1 127545565 573908370 /nfs/dbraw/zinc/90/83/70/573908370.db2.gz KNLZFLSSCPPVOL-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)[C@H]1C[C@H]([NH3+])C[C@@H]2CCC[N@H+]21 238195432 573908500 /nfs/dbraw/zinc/90/85/00/573908500.db2.gz QBXVELHNVWFIRX-OUAUKWLOSA-N 2 1 182.311 1.597 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)[C@H](C)C1CC1 44380916 573908508 /nfs/dbraw/zinc/90/85/08/573908508.db2.gz CQNCYLMUINNBLV-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)[C@H](C)C1CC1 44380916 573908514 /nfs/dbraw/zinc/90/85/14/573908514.db2.gz CQNCYLMUINNBLV-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP N[C@H]1CCC[N@H+]2CCC[C@H]2C1(F)F 257896923 573908555 /nfs/dbraw/zinc/90/85/55/573908555.db2.gz YBPIWLQNEGFHDE-YUMQZZPRSA-N 2 1 190.237 1.207 10 0 ADAEMP [NH3+][C@H]1CCCN2CCC[C@H]2C1(F)F 257896923 573908561 /nfs/dbraw/zinc/90/85/61/573908561.db2.gz YBPIWLQNEGFHDE-YUMQZZPRSA-N 2 1 190.237 1.207 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1C[C@H]1[C@@H]1CC[N@@H+](C)C1 308462435 573908604 /nfs/dbraw/zinc/90/86/04/573908604.db2.gz SIWQTXHNGLDYRQ-WOPDTQHZSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)CC(C)C 44380745 573908701 /nfs/dbraw/zinc/90/87/01/573908701.db2.gz CNRBRFIDAYNHDE-UHFFFAOYSA-N 2 1 172.316 1.574 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)CC(C)C 44380745 573908703 /nfs/dbraw/zinc/90/87/03/573908703.db2.gz CNRBRFIDAYNHDE-UHFFFAOYSA-N 2 1 172.316 1.574 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])CC1(C)C 259228778 573908746 /nfs/dbraw/zinc/90/87/46/573908746.db2.gz DGSTWAWQRZFATN-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+]CC[N@H+](CC)C(C)C 44380664 573908790 /nfs/dbraw/zinc/90/87/90/573908790.db2.gz AIFBAWXQOGLVGP-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+]CC[N@@H+](CC)C(C)C 44380664 573908796 /nfs/dbraw/zinc/90/87/96/573908796.db2.gz AIFBAWXQOGLVGP-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1CC[N@@H+](C)C1 308462430 573908957 /nfs/dbraw/zinc/90/89/57/573908957.db2.gz SIWQTXHNGLDYRQ-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)CC[C@@H]1CCC[NH3+] 76629769 573908993 /nfs/dbraw/zinc/90/89/93/573908993.db2.gz ACCJTDMHYWZNHT-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1C[C@H]1[C@H]1CC[N@@H+](C)C1 308462433 573909198 /nfs/dbraw/zinc/90/91/98/573909198.db2.gz SIWQTXHNGLDYRQ-SRVKXCTJSA-N 2 1 196.338 1.572 10 0 ADAEMP Cc1[nH+]c(C2CC2)[nH]c1CC[NH3+] 258455075 573909227 /nfs/dbraw/zinc/90/92/27/573909227.db2.gz GMVDLBFLMCCZCZ-UHFFFAOYSA-N 2 1 165.240 1.097 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 393570148 573909904 /nfs/dbraw/zinc/90/99/04/573909904.db2.gz VQKLPVMXCBRUDS-NPRAVPSUSA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 393570148 573909911 /nfs/dbraw/zinc/90/99/11/573909911.db2.gz VQKLPVMXCBRUDS-NPRAVPSUSA-N 2 1 180.295 1.246 10 0 ADAEMP C[C@H](N)c1cnc([C@@H]2CCCN2C)o1 257896612 573909932 /nfs/dbraw/zinc/90/99/32/573909932.db2.gz BMPPNLJUZHSVOQ-YUMQZZPRSA-N 2 1 195.266 1.461 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@@H]1C[NH3+])C1CCC1 127553308 573910035 /nfs/dbraw/zinc/91/00/35/573910035.db2.gz JMOIMOPMAZXECM-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC1CC[NH+](C[C@@H](C)[NH2+]C)CC1 44472229 573910163 /nfs/dbraw/zinc/91/01/63/573910163.db2.gz VPNVHXIWCPHHPB-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+](CCCC(C)(C)[NH3+])C1CCC1 127551622 573910215 /nfs/dbraw/zinc/91/02/15/573910215.db2.gz DOVYDMOVQWHCDA-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+](C)CCC(C)C 44472250 573910271 /nfs/dbraw/zinc/91/02/71/573910271.db2.gz YJCPWNFSWKFGAT-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+](C)CCC(C)C 44472250 573910275 /nfs/dbraw/zinc/91/02/75/573910275.db2.gz YJCPWNFSWKFGAT-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP C[N@H+]1C[C@@]2(C[NH2+]C3(CC3)C2)CC12CC2 257896898 573910352 /nfs/dbraw/zinc/91/03/52/573910352.db2.gz YBIPEVMANGQHOV-SNVBAGLBSA-N 2 1 192.306 1.367 10 0 ADAEMP N[C@@H]1CCC[N@H+]2CCC[C@@H]2C1(F)F 257896917 573910385 /nfs/dbraw/zinc/91/03/85/573910385.db2.gz YBPIWLQNEGFHDE-HTQZYQBOSA-N 2 1 190.237 1.207 10 0 ADAEMP [NH3+][C@@H]1CCCN2CCC[C@@H]2C1(F)F 257896917 573910389 /nfs/dbraw/zinc/91/03/89/573910389.db2.gz YBPIWLQNEGFHDE-HTQZYQBOSA-N 2 1 190.237 1.207 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)C1CCC1 127552323 573910447 /nfs/dbraw/zinc/91/04/47/573910447.db2.gz JFADTXUKDCPOJM-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)(C)C[C@H]([NH3+])C[NH+]1CCCC1 258179412 573910452 /nfs/dbraw/zinc/91/04/52/573910452.db2.gz OLRMTGJQVXZYCH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CCC[NH3+])C[N@@H+](C)C1CCC1 127549405 573910528 /nfs/dbraw/zinc/91/05/28/573910528.db2.gz OIAOQHZRCCJBIR-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)C[C@H](C)CC 44380760 573910556 /nfs/dbraw/zinc/91/05/56/573910556.db2.gz FLBPXBFSSUONAM-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)C[C@H](C)CC 44380760 573910562 /nfs/dbraw/zinc/91/05/62/573910562.db2.gz FLBPXBFSSUONAM-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[NH2+]CC[N@@H+]1CCC[C@@H]1CC 44380174 573910634 /nfs/dbraw/zinc/91/06/34/573910634.db2.gz PITHNZLKPJMPTD-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[NH2+]CC[N@H+]1CCC[C@@H]1CC 44380174 573910637 /nfs/dbraw/zinc/91/06/37/573910637.db2.gz PITHNZLKPJMPTD-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[NH2+]CC1(C[C@H]2CC[N@@H+](C)C2)CC1 259234157 573910986 /nfs/dbraw/zinc/91/09/86/573910986.db2.gz VEGRKNUAPLFKRP-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1CC[C@H](CCC[NH3+])[N@@H+](C)CC1 76629781 573911145 /nfs/dbraw/zinc/91/11/45/573911145.db2.gz WIPHYZDUSJGXHL-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP N[C@H]1CCC[N@H+]2CCC[C@@H]2C1(F)F 257896919 573911197 /nfs/dbraw/zinc/91/11/97/573911197.db2.gz YBPIWLQNEGFHDE-JGVFFNPUSA-N 2 1 190.237 1.207 10 0 ADAEMP [NH3+][C@H]1CCCN2CCC[C@@H]2C1(F)F 257896919 573911201 /nfs/dbraw/zinc/91/12/01/573911201.db2.gz YBPIWLQNEGFHDE-JGVFFNPUSA-N 2 1 190.237 1.207 10 0 ADAEMP C[C@@H](CCC[NH3+])C[N@@H+](C)C1CCC1 127549154 573911344 /nfs/dbraw/zinc/91/13/44/573911344.db2.gz OIAOQHZRCCJBIR-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)C1CCC1 127556415 573911422 /nfs/dbraw/zinc/91/14/22/573911422.db2.gz DIBUDKPCSWNDGP-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCc1c[nH]c(CC[C@@H](C)[NH3+])[nH+]1 259001976 573911487 /nfs/dbraw/zinc/91/14/87/573911487.db2.gz CFLOTJLREXGQHC-MRVPVSSYSA-N 2 1 181.283 1.642 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C1CCC1 127553080 573913079 /nfs/dbraw/zinc/91/30/79/573913079.db2.gz JMOIMOPMAZXECM-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1CC=C(C(C)(C)C[NH3+])CC1 258453322 573913171 /nfs/dbraw/zinc/91/31/71/573913171.db2.gz GEVNJOLKDBUDBE-UHFFFAOYSA-N 2 1 168.284 1.233 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@H]1CC[NH3+] 259238709 573913263 /nfs/dbraw/zinc/91/32/63/573913263.db2.gz LNFGXFIATCCJHC-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1C[C@@H](CC[NH3+])CCC1(C)C 259237147 573913288 /nfs/dbraw/zinc/91/32/88/573913288.db2.gz DSKQGSYMLKIIEP-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1C[C@H](CC[NH3+])CCC1(C)C 259239897 573913370 /nfs/dbraw/zinc/91/33/70/573913370.db2.gz DSKQGSYMLKIIEP-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCCc1c[nH]c(CC[C@H](C)[NH3+])[nH+]1 259001977 573913420 /nfs/dbraw/zinc/91/34/20/573913420.db2.gz CFLOTJLREXGQHC-QMMMGPOBSA-N 2 1 181.283 1.642 10 0 ADAEMP CC[C@@]1(C[N@@H+](C)C2CCC2)CC[NH2+]C1 127560866 573916607 /nfs/dbraw/zinc/91/66/07/573916607.db2.gz XZESNOYKSCGGIC-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@H]1CCC[NH2+]1 42172011 573918288 /nfs/dbraw/zinc/91/82/88/573918288.db2.gz WLPRDJLFPXRXIG-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C[NH2+]C)C[N@@H+](C)C1CCC1 259005421 573918416 /nfs/dbraw/zinc/91/84/16/573918416.db2.gz OGGBPRXXZMPHEJ-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@H]1[C@H](C[NH3+])CCCC[N@H+]1C 238186811 573918458 /nfs/dbraw/zinc/91/84/58/573918458.db2.gz RLJBTGBBVDLWAJ-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])c1coc([C@H]2CCC[N@@H+]2C)n1 257899901 573918531 /nfs/dbraw/zinc/91/85/31/573918531.db2.gz BRCMGODOPWQOLZ-IONNQARKSA-N 2 1 195.266 1.461 10 0 ADAEMP C[C@H]([NH3+])c1coc([C@H]2CCC[N@H+]2C)n1 257899901 573918536 /nfs/dbraw/zinc/91/85/36/573918536.db2.gz BRCMGODOPWQOLZ-IONNQARKSA-N 2 1 195.266 1.461 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172015 573918565 /nfs/dbraw/zinc/91/85/65/573918565.db2.gz CSEZQZLDYWEHPR-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCC[NH2+]1)C1CC1 42171978 573918662 /nfs/dbraw/zinc/91/86/62/573918662.db2.gz CHVNPZLXYWZBCJ-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCC[NH2+]1)CC1CC1 42172211 573919016 /nfs/dbraw/zinc/91/90/16/573919016.db2.gz HVZZNDQCEIMCLL-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[C@@H]1C[C@H]([NH3+])C[C@@H]2CCC[N@H+]21 238186995 573921069 /nfs/dbraw/zinc/92/10/69/573921069.db2.gz QBXVELHNVWFIRX-VWYCJHECSA-N 2 1 182.311 1.597 10 0 ADAEMP C[N@@H+](CC[C@H]1CCC[NH2+]1)CC1CC1 42172213 573920265 /nfs/dbraw/zinc/92/02/65/573920265.db2.gz HVZZNDQCEIMCLL-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[C@H]([NH2+]C)c1cccc(F)c1 259581912 573920418 /nfs/dbraw/zinc/92/04/18/573920418.db2.gz WEVHYGYNQHNEKJ-NSHDSACASA-N 2 1 196.269 1.696 10 0 ADAEMP C[C@@H]([NH3+])c1coc([C@@H]2CCC[N@@H+]2C)n1 257899899 573920455 /nfs/dbraw/zinc/92/04/55/573920455.db2.gz BRCMGODOPWQOLZ-APPZFPTMSA-N 2 1 195.266 1.461 10 0 ADAEMP C[C@@H]([NH3+])c1coc([C@@H]2CCC[N@H+]2C)n1 257899899 573920458 /nfs/dbraw/zinc/92/04/58/573920458.db2.gz BRCMGODOPWQOLZ-APPZFPTMSA-N 2 1 195.266 1.461 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172013 573920557 /nfs/dbraw/zinc/92/05/57/573920557.db2.gz CSEZQZLDYWEHPR-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](CC)CC[C@H]1CCC[NH2+]1 42171995 573920830 /nfs/dbraw/zinc/92/08/30/573920830.db2.gz NTNRDVKDYAJGQA-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[N@H+]1CC[C@H](c2csc(C[NH3+])n2)C1 258182469 573922049 /nfs/dbraw/zinc/92/20/49/573922049.db2.gz VFVVBFWSWWTBPZ-ZETCQYMHSA-N 2 1 197.307 1.021 10 0 ADAEMP C[NH2+]CC[C@@H]([NH2+]C)c1cccc(F)c1 259581910 573922141 /nfs/dbraw/zinc/92/21/41/573922141.db2.gz WEVHYGYNQHNEKJ-LLVKDONJSA-N 2 1 196.269 1.696 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C2([NH3+])CCCC2)C1 258182006 573922610 /nfs/dbraw/zinc/92/26/10/573922610.db2.gz YDEUESGJVXEALK-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H](C[NH2+]CC[NH3+])CC(F)F 688727626 573922897 /nfs/dbraw/zinc/92/28/97/573922897.db2.gz OPOCNICMQUKVHO-SSDOTTSWSA-N 2 1 180.242 1.216 10 0 ADAEMP CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 306806707 573923550 /nfs/dbraw/zinc/92/35/50/573923550.db2.gz KPYRUJXJIJRVRD-MNOVXSKESA-N 2 1 194.322 1.470 10 0 ADAEMP CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 306806707 573923557 /nfs/dbraw/zinc/92/35/57/573923557.db2.gz KPYRUJXJIJRVRD-MNOVXSKESA-N 2 1 194.322 1.470 10 0 ADAEMP NC[C@H]1C2CC(C2)[N@H+]1C1CCCCC1 257900379 573923559 /nfs/dbraw/zinc/92/35/59/573923559.db2.gz YRADMZKXBLEESM-NHNAUAITSA-N 2 1 194.322 1.741 10 0 ADAEMP [NH3+]C[C@H]1C2CC(C2)[N@@H+]1C1CCCCC1 257900379 573923574 /nfs/dbraw/zinc/92/35/74/573923574.db2.gz YRADMZKXBLEESM-NHNAUAITSA-N 2 1 194.322 1.741 10 0 ADAEMP [NH3+]C[C@H]1C2CC(C2)[N@H+]1C1CCCCC1 257900379 573923578 /nfs/dbraw/zinc/92/35/78/573923578.db2.gz YRADMZKXBLEESM-NHNAUAITSA-N 2 1 194.322 1.741 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C2([NH3+])CCCC2)C1 258182010 573923624 /nfs/dbraw/zinc/92/36/24/573923624.db2.gz YDEUESGJVXEALK-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@@H+](C)Cc1ccc[nH]1 259012763 573923733 /nfs/dbraw/zinc/92/37/33/573923733.db2.gz XUQHMCTVIIYHDT-JTQLQIEISA-N 2 1 195.310 1.431 10 0 ADAEMP CC(C)[C@H]1NCC[C@@H]2CCCC[N@@H+]21 238199260 573930214 /nfs/dbraw/zinc/93/02/14/573930214.db2.gz YGUAHDVPLPUCAC-QWRGUYRKSA-N 2 1 182.311 1.816 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 81038767 573930392 /nfs/dbraw/zinc/93/03/92/573930392.db2.gz NYUFJTREPQYMGZ-OUAUKWLOSA-N 2 1 182.311 1.517 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 81065364 573930401 /nfs/dbraw/zinc/93/04/01/573930401.db2.gz SHJCCAYQPZQPHZ-WOPDTQHZSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1(C)C 238199253 573930532 /nfs/dbraw/zinc/93/05/32/573930532.db2.gz KUSSCWBRHIJYFB-QWRGUYRKSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC[C@@H]([NH3+])Cn1cc(C)[nH+]c1CC 715072058 573931908 /nfs/dbraw/zinc/93/19/08/573931908.db2.gz LYVYTQRRCFSMMI-SNVBAGLBSA-N 2 1 195.310 1.881 10 0 ADAEMP CC(=O)CC[C@@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259242754 573931931 /nfs/dbraw/zinc/93/19/31/573931931.db2.gz GAKOSGHRCFGGMJ-WDEREUQCSA-N 2 1 198.310 1.025 10 0 ADAEMP CCCc1c[nH]c(C(C)(C)CC[NH3+])[nH+]1 259015265 573932185 /nfs/dbraw/zinc/93/21/85/573932185.db2.gz DOQJRKFKWVDRHU-UHFFFAOYSA-N 2 1 195.310 1.989 10 0 ADAEMP CC[NH2+]CC(C)(C)[C@@H]1CC[N@@H+](C)C1 259014945 573932196 /nfs/dbraw/zinc/93/21/96/573932196.db2.gz GOUNZEPMYAEQMF-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CC/C=C\c1cc(C)c[nH+]c1N 211599087 573932205 /nfs/dbraw/zinc/93/22/05/573932205.db2.gz MYEONCFCLHBFDF-HYXAFXHYSA-N 2 1 191.278 1.595 10 0 ADAEMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CC[C@H]2C[C@H]21 308465352 573932219 /nfs/dbraw/zinc/93/22/19/573932219.db2.gz HRPOQADOECYVOL-HBNTYKKESA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+]CC[C@@H]1C 259586622 573932238 /nfs/dbraw/zinc/93/22/38/573932238.db2.gz ZRWKLISJDWXHOR-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H]1CC[N@H+](C[C@@H](C)[NH2+]C)C1 127735414 573932267 /nfs/dbraw/zinc/93/22/67/573932267.db2.gz BISCKTJKDCYUOL-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C[C@@H](C)[NH2+]C)C1 127735414 573932272 /nfs/dbraw/zinc/93/22/72/573932272.db2.gz BISCKTJKDCYUOL-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1C[C@@H]1C[NH3+] 715073981 573932322 /nfs/dbraw/zinc/93/23/22/573932322.db2.gz AQCWRQJIKPDUFK-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[C@@H](CC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 233284845 573932541 /nfs/dbraw/zinc/93/25/41/573932541.db2.gz KZPZDYIYAKLSAA-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CC[NH2+]CC1(C2CC2)CCC1 393598589 573933030 /nfs/dbraw/zinc/93/30/30/573933030.db2.gz MFKFJDKBCLOUIC-UHFFFAOYSA-N 2 1 182.311 1.376 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH3+])CC1(C)C 259586489 573933050 /nfs/dbraw/zinc/93/30/50/573933050.db2.gz ZQXVZEZNTHTZFJ-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C(C)C)C1(C)C 259190537 573933129 /nfs/dbraw/zinc/93/31/29/573933129.db2.gz BOQAYLICMMUWQE-VIFPVBQESA-N 2 1 170.300 1.467 10 0 ADAEMP CCC[C@@H]1CC[N@H+](C[C@@H](C)[NH2+]C)C1 127735192 573933157 /nfs/dbraw/zinc/93/31/57/573933157.db2.gz BISCKTJKDCYUOL-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C[C@@H](C)[NH2+]C)C1 127735192 573933164 /nfs/dbraw/zinc/93/31/64/573933164.db2.gz BISCKTJKDCYUOL-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCc1c[nH]c(C[C@H]2CC[NH2+]C2)[nH+]1 259016979 573933167 /nfs/dbraw/zinc/93/31/67/573933167.db2.gz DTLYTMPCFMQIQJ-SECBINFHSA-N 2 1 193.294 1.514 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CC[C@H](CC)C1 127734850 573933339 /nfs/dbraw/zinc/93/33/39/573933339.db2.gz XPYOHVXPMHAVQD-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1C[C@H]1C[NH3+] 715073977 573933542 /nfs/dbraw/zinc/93/35/42/573933542.db2.gz AQCWRQJIKPDUFK-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)C1([C@H](C[NH3+])[NH+]2CCC2)CCC1 686132421 573933576 /nfs/dbraw/zinc/93/35/76/573933576.db2.gz IEHRZPBASOJECO-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CC[C@@H]2C[C@@H]21 308465354 573933579 /nfs/dbraw/zinc/93/35/79/573933579.db2.gz HRPOQADOECYVOL-OUAUKWLOSA-N 2 1 196.338 1.702 10 0 ADAEMP Cc1cn([C@@H](C)C[C@@H](C)[NH3+])c(C)[nH+]1 715071987 573933763 /nfs/dbraw/zinc/93/37/63/573933763.db2.gz KPIXHNWSWAXHRB-APPZFPTMSA-N 2 1 181.283 1.798 10 0 ADAEMP CC(=O)CC[C@@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259242747 573936502 /nfs/dbraw/zinc/93/65/02/573936502.db2.gz GAKOSGHRCFGGMJ-GHMZBOCLSA-N 2 1 198.310 1.025 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)C(C)C 127766194 573936524 /nfs/dbraw/zinc/93/65/24/573936524.db2.gz PFBWZWAIXJNSJV-SECBINFHSA-N 2 1 158.289 1.454 10 0 ADAEMP C[NH+](C)Cc1c[nH]c2cc[nH+]cc12 81165553 573936548 /nfs/dbraw/zinc/93/65/48/573936548.db2.gz PRTHJMMZGTVKIB-UHFFFAOYSA-N 2 1 175.235 1.625 10 0 ADAEMP C[NH2+][C@H](Cn1cc[nH+]c1C)C(C)C 87531193 573936597 /nfs/dbraw/zinc/93/65/97/573936597.db2.gz DWOZIHAAENKPKN-SNVBAGLBSA-N 2 1 181.283 1.436 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+]CC(C)(C)C1 259585182 573936636 /nfs/dbraw/zinc/93/66/36/573936636.db2.gz ZPYPFBPZGJCROJ-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP c1cc(NC2C[NH2+]C2)c2c[nH+]ccc2c1 87521292 573936804 /nfs/dbraw/zinc/93/68/04/573936804.db2.gz LWQRNKVXBNZRDE-UHFFFAOYSA-N 2 1 199.257 1.619 10 0 ADAEMP CC(=O)CC[C@H]([NH3+])[C@@H]1CCC[N@H+](C)C1 259242749 573936910 /nfs/dbraw/zinc/93/69/10/573936910.db2.gz GAKOSGHRCFGGMJ-MNOVXSKESA-N 2 1 198.310 1.025 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)C(C)C 127765955 573936975 /nfs/dbraw/zinc/93/69/75/573936975.db2.gz PFBWZWAIXJNSJV-VIFPVBQESA-N 2 1 158.289 1.454 10 0 ADAEMP Cc1ccc(C[NH+]2CC(C[NH3+])C2)cc1 84988097 573937020 /nfs/dbraw/zinc/93/70/20/573937020.db2.gz HKUJDKKMEMVKTF-UHFFFAOYSA-N 2 1 190.290 1.386 10 0 ADAEMP CC[NH2+][C@H](C[N@H+](C)CC1CC1)C(C)C 87529182 573938361 /nfs/dbraw/zinc/93/83/61/573938361.db2.gz SUMMHVWQIZMPPO-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H](C[N@@H+](C)CC1CC1)C(C)C 87529182 573938364 /nfs/dbraw/zinc/93/83/64/573938364.db2.gz SUMMHVWQIZMPPO-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH+](CC)CC)[NH2+]C 87527455 573938372 /nfs/dbraw/zinc/93/83/72/573938372.db2.gz KKNBFYGSGMEGHM-GHMZBOCLSA-N 2 1 186.343 1.962 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]1CC[NH3+] 259245700 573938473 /nfs/dbraw/zinc/93/84/73/573938473.db2.gz LZOONEVSCUKCRD-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]1CC[NH3+] 259245697 573938531 /nfs/dbraw/zinc/93/85/31/573938531.db2.gz LZOONEVSCUKCRD-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[NH2+]Cc1cnc([C@@H]2CCCC[NH2+]2)o1 257906832 573938579 /nfs/dbraw/zinc/93/85/79/573938579.db2.gz CGYQGQGVZRVDSU-VIFPVBQESA-N 2 1 195.266 1.209 10 0 ADAEMP C[C@@H]([NH3+])CCC(=O)[C@@H]1CCC[N@@H+](C)C1 259245042 573938720 /nfs/dbraw/zinc/93/87/20/573938720.db2.gz RPQPVSCERWATOY-NXEZZACHSA-N 2 1 198.310 1.025 10 0 ADAEMP CCC[N@@H+](CCC[NH2+]C)C(C)C 42409482 573938743 /nfs/dbraw/zinc/93/87/43/573938743.db2.gz DOWXCTWJORXTES-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+]CCC[N@H+]1CC[C@H](C)C1 42409719 573938821 /nfs/dbraw/zinc/93/88/21/573938821.db2.gz SFIZJKWUNDRBLT-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[NH2+]CCC[N@H+]1CCC[C@@H]1C 42409131 573938964 /nfs/dbraw/zinc/93/89/64/573938964.db2.gz GXSLJGURAASUTK-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CC[NH2+]C(C[NH3+])(C1CCC1)C1CCC1 308468828 573939717 /nfs/dbraw/zinc/93/97/17/573939717.db2.gz INFQGOSNRGXTKO-UHFFFAOYSA-N 2 1 196.338 1.894 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CC1([NH3+])CCC1 258184682 573939847 /nfs/dbraw/zinc/93/98/47/573939847.db2.gz YFIRFZLAVCJVAJ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)[N@@H+]1CC=C(CC[NH+](C)C)CC1 257906871 573939924 /nfs/dbraw/zinc/93/99/24/573939924.db2.gz BBJIGPWQDIWUGJ-UHFFFAOYSA-N 2 1 196.338 1.979 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1n1cc(C)[nH+]c1C 715074582 573939936 /nfs/dbraw/zinc/93/99/36/573939936.db2.gz CGXBCOREGLZIJN-MNOVXSKESA-N 2 1 193.294 1.813 10 0 ADAEMP C[C@H](C[NH3+])CC[N@H+]1CC2CCC1CC2 308467842 573939995 /nfs/dbraw/zinc/93/99/95/573939995.db2.gz GULNNAGHWJYKEI-UNXYVOJBSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](n2cc(C)[nH+]c2C)C1 715075760 573940026 /nfs/dbraw/zinc/94/00/26/573940026.db2.gz JFYOELXDEDONGF-QWRGUYRKSA-N 2 1 193.294 1.813 10 0 ADAEMP Cc1ccccc1C[NH+]1CC(C[NH3+])C1 84988052 573940031 /nfs/dbraw/zinc/94/00/31/573940031.db2.gz LGNPEHLRZCREBJ-UHFFFAOYSA-N 2 1 190.290 1.386 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](n2cc(C)[nH+]c2C)C1 715075756 573940126 /nfs/dbraw/zinc/94/01/26/573940126.db2.gz JFYOELXDEDONGF-GHMZBOCLSA-N 2 1 193.294 1.813 10 0 ADAEMP CCC(CC)[N@@H+](C)CCC[NH2+]C 42409620 573940143 /nfs/dbraw/zinc/94/01/43/573940143.db2.gz HZSXTSJGTQJYAZ-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](n2cc(C)[nH+]c2C)C1 715075759 573940313 /nfs/dbraw/zinc/94/03/13/573940313.db2.gz JFYOELXDEDONGF-MNOVXSKESA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H](C)C1CC1 42409598 573940322 /nfs/dbraw/zinc/94/03/22/573940322.db2.gz WVSDDPXUNZFTRT-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 42372060 573942097 /nfs/dbraw/zinc/94/20/97/573942097.db2.gz PRDMFWRYCLDPQW-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](C)CCC 42409516 573942195 /nfs/dbraw/zinc/94/21/95/573942195.db2.gz HSWRZUCJZHYVOJ-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](C)CC(C)C 42409520 573942254 /nfs/dbraw/zinc/94/22/54/573942254.db2.gz YWZHJELEYIDUGW-UHFFFAOYSA-N 2 1 186.343 1.964 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](CC)C1CC1 127776162 573942256 /nfs/dbraw/zinc/94/22/56/573942256.db2.gz SRICMSADFDCSJQ-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[NH2+]CCC[N@H+]1CC[C@@H](C)C1 42372061 573942499 /nfs/dbraw/zinc/94/24/99/573942499.db2.gz NZNMEUFKKYMZLP-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+]CCC[N@H+]1CCC[C@H]1C 42409132 573942514 /nfs/dbraw/zinc/94/25/14/573942514.db2.gz GXSLJGURAASUTK-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](CC)C(C)C 127776868 573942627 /nfs/dbraw/zinc/94/26/27/573942627.db2.gz XMIIXYOYWQDHEG-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C[C@H]1C[NH3+] 715077704 573942675 /nfs/dbraw/zinc/94/26/75/573942675.db2.gz OKBLQNNNGNTSJM-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[N@@H+](CC[C@@H]([NH3+])CC)C1CC1 127779515 573942679 /nfs/dbraw/zinc/94/26/79/573942679.db2.gz STQQLOUGOXOJDC-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+][C@@H](Cn1cc(C)[nH+]c1C)C1CC1 715075868 573942693 /nfs/dbraw/zinc/94/26/93/573942693.db2.gz LXSBTQLPINKYCS-NSHDSACASA-N 2 1 193.294 1.498 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C[NH3+])C(C)(C)C1 715079083 573942710 /nfs/dbraw/zinc/94/27/10/573942710.db2.gz VBUJLQQSKNRUSP-DCAQKATOSA-N 2 1 196.338 1.702 10 0 ADAEMP CCCC[N@@H+](C)CCC[NH2+]CC 42409363 573942722 /nfs/dbraw/zinc/94/27/22/573942722.db2.gz VGODTROXHFIDFS-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP C[N@@H+]1CCC[C@@](F)(C(C)(C)[NH3+])C1 257907560 573942732 /nfs/dbraw/zinc/94/27/32/573942732.db2.gz PUTOVFZIODSHFA-VIFPVBQESA-N 2 1 174.263 1.158 10 0 ADAEMP C[N@H+]1CCC[C@@](F)(C(C)(C)[NH3+])C1 257907560 573942736 /nfs/dbraw/zinc/94/27/36/573942736.db2.gz PUTOVFZIODSHFA-VIFPVBQESA-N 2 1 174.263 1.158 10 0 ADAEMP Cc1cn(C[C@H]([NH3+])C(C)(C)C)c(C)[nH+]1 715078116 573943594 /nfs/dbraw/zinc/94/35/94/573943594.db2.gz WZJXDXCXMYYDIG-JTQLQIEISA-N 2 1 195.310 1.873 10 0 ADAEMP CCC[N@@H+](CC)CC[C@H]([NH3+])CC 127778379 573942850 /nfs/dbraw/zinc/94/28/50/573942850.db2.gz WQIWKOPWOIRMPU-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)CC 127780709 573943609 /nfs/dbraw/zinc/94/36/09/573943609.db2.gz VWVULTKQYGGGGH-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP Cc1cn(CCC[C@@H](C)[NH3+])c(C)[nH+]1 715075840 573942908 /nfs/dbraw/zinc/94/29/08/573942908.db2.gz KXDWLUYKEUCGFA-MRVPVSSYSA-N 2 1 181.283 1.627 10 0 ADAEMP CCC[N@@H+](C)CC[C@H]([NH3+])CC 127779733 573942977 /nfs/dbraw/zinc/94/29/77/573942977.db2.gz CZLWIPYEUKTILN-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C[C@@H]1C[NH3+] 715077700 573943020 /nfs/dbraw/zinc/94/30/20/573943020.db2.gz OKBLQNNNGNTSJM-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[C@@H](Cn1cc(C)[nH+]c1C)[NH2+]C 715076256 573943131 /nfs/dbraw/zinc/94/31/31/573943131.db2.gz MRKCUVCUHLOSQK-NSHDSACASA-N 2 1 195.310 1.888 10 0 ADAEMP CCCC[NH2+][C@@H](C)C[NH+]1CCCC1 42371899 573943173 /nfs/dbraw/zinc/94/31/73/573943173.db2.gz JMDOWQOSNLHHFX-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[N@@H+](CCCC(N)=[NH2+])CC(C)(C)C 45074243 573943205 /nfs/dbraw/zinc/94/32/05/573943205.db2.gz TXSLVVARVOCAMN-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP CCC[N@@H+](CC[C@H]([NH3+])CC)C1CC1 127779275 573943209 /nfs/dbraw/zinc/94/32/09/573943209.db2.gz STQQLOUGOXOJDC-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](C)CC1CC1 42409705 573943363 /nfs/dbraw/zinc/94/33/63/573943363.db2.gz IEZTULSGWQLMTR-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP Cc1cn(CCC[C@H](C)[NH3+])c(C)[nH+]1 715075841 573943504 /nfs/dbraw/zinc/94/35/04/573943504.db2.gz KXDWLUYKEUCGFA-QMMMGPOBSA-N 2 1 181.283 1.627 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@H]([NH3+])CC 42419679 573945125 /nfs/dbraw/zinc/94/51/25/573945125.db2.gz KNCDWWNPCWCJQO-DTWKUNHWSA-N 2 1 181.283 1.744 10 0 ADAEMP Cc1[nH+]ccn1CCC[NH2+]C1CC1 42409838 573945163 /nfs/dbraw/zinc/94/51/63/573945163.db2.gz OSARNOQTMXUELE-UHFFFAOYSA-N 2 1 179.267 1.334 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)CC(C)C 127780267 573945173 /nfs/dbraw/zinc/94/51/73/573945173.db2.gz GOOABZXSHAFBKD-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CC2CCC1CC2 308469257 573944533 /nfs/dbraw/zinc/94/45/33/573944533.db2.gz HJRNIXSUINBIBR-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]C[C@@H]1C[C@H]1C[N@H+]1CCC2(CCC2)C1 715079690 573944603 /nfs/dbraw/zinc/94/46/03/573944603.db2.gz YRRXSJXMBHFOKI-QWRGUYRKSA-N 2 1 194.322 1.457 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2C[C@H]2C[NH3+])C(C)(C)C1 715079084 573944666 /nfs/dbraw/zinc/94/46/66/573944666.db2.gz VBUJLQQSKNRUSP-GARJFASQSA-N 2 1 196.338 1.702 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)CC[NH3+] 42419649 573944717 /nfs/dbraw/zinc/94/47/17/573944717.db2.gz IHXCGDZXQWGMGO-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+](C)Cc1ccco1 127784803 573944760 /nfs/dbraw/zinc/94/47/60/573944760.db2.gz OPDJSTDNDQRLHI-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)Cc1ccco1 127784803 573944767 /nfs/dbraw/zinc/94/47/67/573944767.db2.gz OPDJSTDNDQRLHI-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[NH2+][C@H](C)CCn1cc(C)[nH+]c1C 715078324 573944833 /nfs/dbraw/zinc/94/48/33/573944833.db2.gz YUXJETOIIMVRRD-SECBINFHSA-N 2 1 195.310 1.888 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)CC[NH3+] 42419650 573944861 /nfs/dbraw/zinc/94/48/61/573944861.db2.gz IHXCGDZXQWGMGO-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CCC[NH2+]CCCn1cc[nH+]c1CC 42420138 573944895 /nfs/dbraw/zinc/94/48/95/573944895.db2.gz YLFBWRHSKHBOCX-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2C[NH3+])C(C)(C)C1 715079085 573944910 /nfs/dbraw/zinc/94/49/10/573944910.db2.gz VBUJLQQSKNRUSP-HBNTYKKESA-N 2 1 196.338 1.702 10 0 ADAEMP CC[N@@H+](C)CCC1CC[NH+](C)CC1 259247926 573945014 /nfs/dbraw/zinc/94/50/14/573945014.db2.gz ZQIJAMATGBGNQT-UHFFFAOYSA-N 2 1 184.327 1.670 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@H]([NH3+])CC 42419680 573945046 /nfs/dbraw/zinc/94/50/46/573945046.db2.gz KNCDWWNPCWCJQO-RKDXNWHRSA-N 2 1 181.283 1.744 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)CC(N)=[NH2+] 42419903 573945114 /nfs/dbraw/zinc/94/51/14/573945114.db2.gz SZUSYNPXBQARHB-ZETCQYMHSA-N 2 1 180.255 1.333 10 0 ADAEMP CCC[NH2+]CCCn1cc[nH+]c1C 42409841 573945412 /nfs/dbraw/zinc/94/54/12/573945412.db2.gz KNZXOMJPHXZFRG-UHFFFAOYSA-N 2 1 181.283 1.581 10 0 ADAEMP CC(=O)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 308470265 573945415 /nfs/dbraw/zinc/94/54/15/573945415.db2.gz ILAUYMJSIYKTMH-NSHDSACASA-N 2 1 198.310 1.026 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)C 42409834 573945616 /nfs/dbraw/zinc/94/56/16/573945616.db2.gz QHIYTWJGSCONNY-UHFFFAOYSA-N 2 1 181.283 1.580 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])C(C)(C)C 42419740 573945625 /nfs/dbraw/zinc/94/56/25/573945625.db2.gz ABFFGSCTWSQQAO-SECBINFHSA-N 2 1 195.310 1.819 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H]1C[N@H+]1CCC2(CCC2)C1 715079691 573945644 /nfs/dbraw/zinc/94/56/44/573945644.db2.gz YRRXSJXMBHFOKI-WDEREUQCSA-N 2 1 194.322 1.457 10 0 ADAEMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C 42409835 573945672 /nfs/dbraw/zinc/94/56/72/573945672.db2.gz ZKZYJFCQCSUJKJ-UHFFFAOYSA-N 2 1 195.310 1.970 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C[C@@H]1C[NH3+] 715077706 573945694 /nfs/dbraw/zinc/94/56/94/573945694.db2.gz OKBLQNNNGNTSJM-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CCc1[nH+]ccn1C[C@H](C)C(N)=[NH2+] 42419900 573945754 /nfs/dbraw/zinc/94/57/54/573945754.db2.gz SQQJHCLTUYSICA-ZETCQYMHSA-N 2 1 180.255 1.018 10 0 ADAEMP CCc1[nH+]ccn1CCC[NH2+]C1CC1 42420134 573945798 /nfs/dbraw/zinc/94/57/98/573945798.db2.gz UMOAOVXAJQSOBS-UHFFFAOYSA-N 2 1 193.294 1.588 10 0 ADAEMP CNCC[N@H+]1CCC[C@@H]1C1CCCC1 45073285 573945811 /nfs/dbraw/zinc/94/58/11/573945811.db2.gz AAAOZFGOMWWCHW-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CNCC[N@H+]1CCC[C@H]1C1CCCC1 45073286 573945859 /nfs/dbraw/zinc/94/58/59/573945859.db2.gz AAAOZFGOMWWCHW-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1CCC[C@H]1/C=C\CC[NH2+]C 258187185 573945862 /nfs/dbraw/zinc/94/58/62/573945862.db2.gz MKCCBOMGEXVZKY-MEQVVJDKSA-N 2 1 182.311 1.636 10 0 ADAEMP CCc1[nH+]ccn1CC[C@@H](C)[NH3+] 42419697 573945887 /nfs/dbraw/zinc/94/58/87/573945887.db2.gz XZPRMAHZWQEGRZ-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP CC1([C@@H]([NH3+])c2c[nH+]ccc2N)CC1 87550561 573945968 /nfs/dbraw/zinc/94/59/68/573945968.db2.gz VBTPWDSCCOTYFS-VIFPVBQESA-N 2 1 177.251 1.464 10 0 ADAEMP C[NH2+][C@@H](C)CCn1cc(C)[nH+]c1C 715075863 573945975 /nfs/dbraw/zinc/94/59/75/573945975.db2.gz LPJXQYGPJPPCPO-QMMMGPOBSA-N 2 1 181.283 1.498 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1/C=C\CC[NH2+]C 258187181 573946021 /nfs/dbraw/zinc/94/60/21/573946021.db2.gz MKCCBOMGEXVZKY-IBHLPDHGSA-N 2 1 182.311 1.636 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CC(C)(C)C 45068580 573946848 /nfs/dbraw/zinc/94/68/48/573946848.db2.gz RYJXASPSEIYNJO-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP CC[N@@H+](CCC1CC1)C[C@@H]1C[C@H]1C[NH3+] 715079622 573947339 /nfs/dbraw/zinc/94/73/39/573947339.db2.gz XPNNPUFOEPNODK-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[NH2+][C@@H](C)CCn1cc(C)[nH+]c1C 715078358 573947363 /nfs/dbraw/zinc/94/73/63/573947363.db2.gz YUXJETOIIMVRRD-VIFPVBQESA-N 2 1 195.310 1.888 10 0 ADAEMP C[NH2+][C@H](Cn1cc(C)[nH+]c1C)C1CC1 715075867 573946826 /nfs/dbraw/zinc/94/68/26/573946826.db2.gz LXSBTQLPINKYCS-LLVKDONJSA-N 2 1 193.294 1.498 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014494 573951062 /nfs/dbraw/zinc/95/10/62/573951062.db2.gz IOCFKRACWASORC-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CCCC1 85014526 573951089 /nfs/dbraw/zinc/95/10/89/573951089.db2.gz FBDBBLQCQAJMMW-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C(C)C)CC1(C)C 259248321 573951815 /nfs/dbraw/zinc/95/18/15/573951815.db2.gz MEOVRFPPTOELQE-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 85014523 573951260 /nfs/dbraw/zinc/95/12/60/573951260.db2.gz FBDBBLQCQAJMMW-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85014767 573951297 /nfs/dbraw/zinc/95/12/97/573951297.db2.gz RYMWMZZDRFHDAZ-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC1(C)C 45118958 573951361 /nfs/dbraw/zinc/95/13/61/573951361.db2.gz TYTGZJQCMSXRPY-SNVBAGLBSA-N 2 1 193.294 1.580 10 0 ADAEMP Cc1cn([C@H]2CCC[NH2+]C2)c(C)[nH+]1 715082497 573951402 /nfs/dbraw/zinc/95/14/02/573951402.db2.gz QKOMTYOPNUFGCD-JTQLQIEISA-N 2 1 179.267 1.424 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014497 573951404 /nfs/dbraw/zinc/95/14/04/573951404.db2.gz IOCFKRACWASORC-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]([NH3+])[C@](C)(F)[C@@H]1CC[N@@H+](C)C1 257915607 573951595 /nfs/dbraw/zinc/95/15/95/573951595.db2.gz QSNIJLBFEFOTDH-YIZRAAEISA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1ccoc1 42448937 573951675 /nfs/dbraw/zinc/95/16/75/573951675.db2.gz SUJMZAUGQFBZOY-VIFPVBQESA-N 2 1 182.267 1.449 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1ccoc1 42448937 573951680 /nfs/dbraw/zinc/95/16/80/573951680.db2.gz SUJMZAUGQFBZOY-VIFPVBQESA-N 2 1 182.267 1.449 10 0 ADAEMP C[NH2+]CCC[N@H+]1CCCSCC1 42444528 573953304 /nfs/dbraw/zinc/95/33/04/573953304.db2.gz DBLVDKFFDVMKBR-UHFFFAOYSA-N 2 1 188.340 1.035 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)Cc1ccoc1 42447827 573953319 /nfs/dbraw/zinc/95/33/19/573953319.db2.gz RYUWAZDBLKEIHE-NSHDSACASA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@H+](Cc1ccco1)C[C@H](C)C[NH3+] 42445394 573953392 /nfs/dbraw/zinc/95/33/92/573953392.db2.gz ZVGWQMYLHRUGER-SNVBAGLBSA-N 2 1 196.294 1.696 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014358 573953503 /nfs/dbraw/zinc/95/35/03/573953503.db2.gz JASJEHMCIQTTJH-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CCc1[nH+]c(C)cn1CCC(=[NH2+])NO 715084984 573953836 /nfs/dbraw/zinc/95/38/36/573953836.db2.gz XMGYJWLUUPHAES-UHFFFAOYSA-N 2 1 196.254 1.100 10 0 ADAEMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCC1 257909761 573953866 /nfs/dbraw/zinc/95/38/66/573953866.db2.gz AGZFPHDYEAEQDS-VIFPVBQESA-N 2 1 170.300 1.502 10 0 ADAEMP CC[N@@H+](CCC(C)C)C[C@@H](C)C[NH3+] 42442915 573953982 /nfs/dbraw/zinc/95/39/82/573953982.db2.gz OHBFIMUXYCTJIK-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@H]([NH3+])[C@@](C)(F)[C@@H]1CC[N@@H+](C)C1 257915601 573954005 /nfs/dbraw/zinc/95/40/05/573954005.db2.gz QSNIJLBFEFOTDH-DJLDLDEBSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H](C[NH2+]C1CC1)C[N@@H+](C)C1CCC1 127708951 573954524 /nfs/dbraw/zinc/95/45/24/573954524.db2.gz JCSGKOGOBGISMW-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+][C@H](C[NH3+])C1CCC1 87584954 573954572 /nfs/dbraw/zinc/95/45/72/573954572.db2.gz RBFFDNZUCLCYEF-SECBINFHSA-N 2 1 156.273 1.112 10 0 ADAEMP CC[N@H+](CCC[NH3+])Cc1ccco1 42445388 573954587 /nfs/dbraw/zinc/95/45/87/573954587.db2.gz RFLQQSQAZZEQDB-UHFFFAOYSA-N 2 1 182.267 1.450 10 0 ADAEMP CC[N@@H+](CCC[NH3+])Cc1ccco1 42445388 573954590 /nfs/dbraw/zinc/95/45/90/573954590.db2.gz RFLQQSQAZZEQDB-UHFFFAOYSA-N 2 1 182.267 1.450 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]CC[NH2+]CC1CC1 45137961 573954742 /nfs/dbraw/zinc/95/47/42/573954742.db2.gz LPUWFLXBKJWQCT-SNVBAGLBSA-N 2 1 182.311 1.374 10 0 ADAEMP C[NH2+][C@@H](c1ccccc1C)C(C)(C)[NH3+] 259249799 573954823 /nfs/dbraw/zinc/95/48/23/573954823.db2.gz GHVDEMRVVAWAAQ-NSHDSACASA-N 2 1 192.306 1.993 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+](C)Cc1ccoc1 42447885 573954852 /nfs/dbraw/zinc/95/48/52/573954852.db2.gz IPZOVWQLLLTOMW-SECBINFHSA-N 2 1 182.267 1.449 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)Cc1ccoc1 42447885 573954857 /nfs/dbraw/zinc/95/48/57/573954857.db2.gz IPZOVWQLLLTOMW-SECBINFHSA-N 2 1 182.267 1.449 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]CC[NH2+]CC1CC1 45137959 573954869 /nfs/dbraw/zinc/95/48/69/573954869.db2.gz LPUWFLXBKJWQCT-JTQLQIEISA-N 2 1 182.311 1.374 10 0 ADAEMP CC[N@H+](Cc1ccco1)C[C@@H](C)C[NH3+] 42445392 573954879 /nfs/dbraw/zinc/95/48/79/573954879.db2.gz ZVGWQMYLHRUGER-JTQLQIEISA-N 2 1 196.294 1.696 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)Cc1ccoc1 42448941 573954915 /nfs/dbraw/zinc/95/49/15/573954915.db2.gz KEKWIUWHUQTDBG-UHFFFAOYSA-N 2 1 196.294 1.711 10 0 ADAEMP CCCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 42427329 573955142 /nfs/dbraw/zinc/95/51/42/573955142.db2.gz NTDRMBKTRZBEPI-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)C[N@@H+](C)C1CCC1 127708704 573955229 /nfs/dbraw/zinc/95/52/29/573955229.db2.gz JCSGKOGOBGISMW-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC1C[C@@H]2C[N@H+](C)C[C@H](C1)C2CC[NH3+] 258188625 573957154 /nfs/dbraw/zinc/95/71/54/573957154.db2.gz VQZNQXJAERXFMU-WSVSKBAQSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C/C=C/C[NH3+])C1 85054739 573957175 /nfs/dbraw/zinc/95/71/75/573957175.db2.gz GIMCZMZOBXUMPR-VMZHVLLKSA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1CC1(C)C 45135327 573957201 /nfs/dbraw/zinc/95/72/01/573957201.db2.gz YQWXYLFXBYRHQY-IVZWLZJFSA-N 2 1 182.311 1.597 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81641776 573957257 /nfs/dbraw/zinc/95/72/57/573957257.db2.gz LLEJDSCSRHYJPF-MNOVXSKESA-N 2 1 182.311 1.504 10 0 ADAEMP C[C@@H](C[NH3+])[C@]1(F)CCC[N@@H+](C)C1 257911449 573957261 /nfs/dbraw/zinc/95/72/61/573957261.db2.gz QHZWVWLDNUINRT-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP CCCCC[N@@H+](CC)CCC(N)=[NH2+] 42452707 573957305 /nfs/dbraw/zinc/95/73/05/573957305.db2.gz IHHLDOGXXLPMQM-UHFFFAOYSA-N 2 1 185.315 1.825 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+](C)C1CCC1 127880481 573957357 /nfs/dbraw/zinc/95/73/57/573957357.db2.gz KNWIYQGATWIXLX-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+](C)C1CCC1 127880481 573957362 /nfs/dbraw/zinc/95/73/62/573957362.db2.gz KNWIYQGATWIXLX-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH2+][C@@H]1CC1(C)C 45137965 573957383 /nfs/dbraw/zinc/95/73/83/573957383.db2.gz RTEWQVRNMMBHFZ-VHSXEESVSA-N 2 1 184.327 1.763 10 0 ADAEMP CCCC[N@H+](C)Cc1c[nH]c(C)n1 308471498 573957386 /nfs/dbraw/zinc/95/73/86/573957386.db2.gz KQIVJNQIEIVCLA-UHFFFAOYSA-N 2 1 181.283 1.950 10 0 ADAEMP CCCC[N@@H+](C)Cc1c[nH]c(C)n1 308471498 573957391 /nfs/dbraw/zinc/95/73/91/573957391.db2.gz KQIVJNQIEIVCLA-UHFFFAOYSA-N 2 1 181.283 1.950 10 0 ADAEMP CC(C)[NH2+]CC[C@@H]1CC[N@@H+](C)C1 259252051 573957660 /nfs/dbraw/zinc/95/76/60/573957660.db2.gz WQUURCUUUYUEKT-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[NH2+]CC[NH2+][C@H]1CC1(C)C 45137850 573957665 /nfs/dbraw/zinc/95/76/65/573957665.db2.gz YODGBDYNZUZECG-VIFPVBQESA-N 2 1 170.300 1.374 10 0 ADAEMP CC(C)[NH2+]C[C@@H](C)[N@H+](C)C1CCC1 127883467 573957787 /nfs/dbraw/zinc/95/77/87/573957787.db2.gz KDVWSDNITDKYEM-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[NH2+]C[C@@H](C)[N@@H+](C)C1CCC1 127883467 573957789 /nfs/dbraw/zinc/95/77/89/573957789.db2.gz KDVWSDNITDKYEM-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@H](C[NH3+])[C@@]1(F)CCC[N@@H+](C)C1 257911450 573958592 /nfs/dbraw/zinc/95/85/92/573958592.db2.gz QHZWVWLDNUINRT-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[N@@H+]1CC=C(CC[NH2+]C2CC2)CC1 258189520 573958599 /nfs/dbraw/zinc/95/85/99/573958599.db2.gz TUMAFAOHXSJUER-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP C[C@H](C[NH3+])[C@]1(F)CCC[N@@H+](C)C1 257911447 573958677 /nfs/dbraw/zinc/95/86/77/573958677.db2.gz QHZWVWLDNUINRT-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)[N@H+](CC)CCOC 42492865 573958778 /nfs/dbraw/zinc/95/87/78/573958778.db2.gz UIPACCLIGTVWJT-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](CC)CCOC 42492865 573958781 /nfs/dbraw/zinc/95/87/81/573958781.db2.gz UIPACCLIGTVWJT-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCCC[N@@H+](C[C@@H]([NH3+])CC)C1CC1 42491334 573958990 /nfs/dbraw/zinc/95/89/90/573958990.db2.gz AJQFDMVESZAXMK-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[N@@H+](C[C@H]([NH3+])CC)C1CC1 42491333 573959246 /nfs/dbraw/zinc/95/92/46/573959246.db2.gz AJQFDMVESZAXMK-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)C1CCC1 127888206 573959325 /nfs/dbraw/zinc/95/93/25/573959325.db2.gz QPDNJCWTYMMYCA-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@@H]1C 127900965 573962338 /nfs/dbraw/zinc/96/23/38/573962338.db2.gz WWKBOHZAGXGCBB-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CCC1)C1CCCC1 257921008 573962376 /nfs/dbraw/zinc/96/23/76/573962376.db2.gz ROLPRPREISWKME-NSHDSACASA-N 2 1 182.311 1.646 10 0 ADAEMP CCC[N@@H+](C)C[C@H](CC)C[NH2+]C 259028674 573962478 /nfs/dbraw/zinc/96/24/78/573962478.db2.gz QGKYYXGENTXSFX-SNVBAGLBSA-N 2 1 172.316 1.574 10 0 ADAEMP CC[N@@H+](C[C@H]1C[C@@H]1C[NH3+])C1CCC1 715092866 573962555 /nfs/dbraw/zinc/96/25/55/573962555.db2.gz GARFFYABSGLSMY-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1C/C=C/C[NH3+] 85055224 573962567 /nfs/dbraw/zinc/96/25/67/573962567.db2.gz LSHLOTOOANCRMY-YHROSDCASA-N 2 1 182.311 1.622 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@@H]1C[NH3+])C1CCC1 715092889 573962821 /nfs/dbraw/zinc/96/28/21/573962821.db2.gz GARFFYABSGLSMY-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](Cc1cc(C[NH3+])no1)C1CCC1 127900232 573962883 /nfs/dbraw/zinc/96/28/83/573962883.db2.gz WFLHJFXVVRMQNR-UHFFFAOYSA-N 2 1 195.266 1.118 10 0 ADAEMP C[C@H]1C[N@@H+](C/C=C/C[NH3+])CC(C)(C)O1 85054972 573962951 /nfs/dbraw/zinc/96/29/51/573962951.db2.gz XWTTZASLMWGBCQ-YEZKRMTDSA-N 2 1 198.310 1.001 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C1CCC1 127896944 573962991 /nfs/dbraw/zinc/96/29/91/573962991.db2.gz MSJFZEPOVGMNKZ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@@H]1C[NH3+])[C@@H](C)C1CC1 715090939 573967332 /nfs/dbraw/zinc/96/73/32/573967332.db2.gz NKYBOEKXYPZLPF-WCQGTBRESA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259253264 573968190 /nfs/dbraw/zinc/96/81/90/573968190.db2.gz MOQBBODNFHZJNC-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@H+](C)[C@@H](C)COC 42517691 573967663 /nfs/dbraw/zinc/96/76/63/573967663.db2.gz IWMNLMDFCFFCIM-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)COC 42517691 573967665 /nfs/dbraw/zinc/96/76/65/573967665.db2.gz IWMNLMDFCFFCIM-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[N@H+]1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238219237 573967768 /nfs/dbraw/zinc/96/77/68/573967768.db2.gz DUGGQPCATXVBPH-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+](C)[C@@H](C)COC 42518082 573967784 /nfs/dbraw/zinc/96/77/84/573967784.db2.gz ARGNSYGQYXHRPW-GUBZILKMSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@@H](C)COC 42518082 573967785 /nfs/dbraw/zinc/96/77/85/573967785.db2.gz ARGNSYGQYXHRPW-GUBZILKMSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@](C)(C[NH3+])[N@@H+](C)[C@@H](C)COC 42517722 573968081 /nfs/dbraw/zinc/96/80/81/573968081.db2.gz UBPPFTDWIJQOPI-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)[N@@H+](CCC(N)=[NH2+])CC1CC1 42529777 573968172 /nfs/dbraw/zinc/96/81/72/573968172.db2.gz GVEUILBOFDTUOZ-UHFFFAOYSA-N 2 1 183.299 1.433 10 0 ADAEMP CC(C)C[N@@H+](C[C@@H](C)C(N)=[NH2+])C1CC1 42557510 573969224 /nfs/dbraw/zinc/96/92/24/573969224.db2.gz KROMYOCNCUYUKV-SECBINFHSA-N 2 1 197.326 1.679 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259253261 573970101 /nfs/dbraw/zinc/97/01/01/573970101.db2.gz MOQBBODNFHZJNC-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C[NH3+])C1 715095767 573970116 /nfs/dbraw/zinc/97/01/16/573970116.db2.gz SSKJTSJLZMBUJL-VWYCJHECSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)C[N@@H+](CC[C@@H](C)[NH3+])C1CC1 42556410 573970123 /nfs/dbraw/zinc/97/01/23/573970123.db2.gz JBDXVJUUSMGHGO-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 42556653 573969450 /nfs/dbraw/zinc/96/94/50/573969450.db2.gz ZTHFEVYTHBIBOZ-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])CC[NH2+]Cc1ccco1 127802622 573969504 /nfs/dbraw/zinc/96/95/04/573969504.db2.gz MOVZSXAIIRXXCZ-SECBINFHSA-N 2 1 182.267 1.497 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+]1CC[C@H](C)C1 127809261 573969869 /nfs/dbraw/zinc/96/98/69/573969869.db2.gz ZSPMJIKJVUHOJP-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C[NH3+])C1 715095765 573969910 /nfs/dbraw/zinc/96/99/10/573969910.db2.gz SSKJTSJLZMBUJL-MXWKQRLJSA-N 2 1 182.311 1.313 10 0 ADAEMP CC1=CC[N@@H+](C[C@H]2C[C@H]2C[NH3+])CC1 715094903 573972370 /nfs/dbraw/zinc/97/23/70/573972370.db2.gz PVDGDKCHKLQHCQ-WDEREUQCSA-N 2 1 180.295 1.233 10 0 ADAEMP CCC[N@@H+](C[C@H]1C[C@@H]1C[NH3+])C1CC1 715095309 573972498 /nfs/dbraw/zinc/97/24/98/573972498.db2.gz QVXFYEFBZYVGKZ-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1=CC[N@@H+](C[C@H]2C[C@@H]2C[NH3+])CC1 715094893 573972685 /nfs/dbraw/zinc/97/26/85/573972685.db2.gz PVDGDKCHKLQHCQ-GHMZBOCLSA-N 2 1 180.295 1.233 10 0 ADAEMP CCC[N@@H+](C[C@@H]1C[C@H]1C[NH3+])C1CC1 715095314 573972887 /nfs/dbraw/zinc/97/28/87/573972887.db2.gz QVXFYEFBZYVGKZ-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@@H+](C[C@H]1C[C@H]1C[NH3+])C1CC1 715095318 573974813 /nfs/dbraw/zinc/97/48/13/573974813.db2.gz QVXFYEFBZYVGKZ-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1=CC[N@@H+](C[C@@H]2C[C@H]2C[NH3+])CC1 715094900 573975092 /nfs/dbraw/zinc/97/50/92/573975092.db2.gz PVDGDKCHKLQHCQ-QWRGUYRKSA-N 2 1 180.295 1.233 10 0 ADAEMP CC1=CC[N@@H+](C[C@@H]2C[C@@H]2C[NH3+])CC1 715094898 573975274 /nfs/dbraw/zinc/97/52/74/573975274.db2.gz PVDGDKCHKLQHCQ-MNOVXSKESA-N 2 1 180.295 1.233 10 0 ADAEMP CC(C)C[N@@H+](C[C@@H](C)C(N)=[NH2+])C(C)C 42584199 573976210 /nfs/dbraw/zinc/97/62/10/573976210.db2.gz ORSLMPXMYNGOMY-SNVBAGLBSA-N 2 1 199.342 1.925 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 42584079 573976225 /nfs/dbraw/zinc/97/62/25/573976225.db2.gz BNUFDJKKFDFJCK-NXEZZACHSA-N 2 1 199.342 1.925 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@@H](C)CC(N)=[NH2+] 42584241 573976254 /nfs/dbraw/zinc/97/62/54/573976254.db2.gz DYSOCBHZSBHNDQ-VIFPVBQESA-N 2 1 197.326 1.821 10 0 ADAEMP NC(=[NH2+])CC[N@H+](C1CCCC1)C1CC1 42547868 573978718 /nfs/dbraw/zinc/97/87/18/573978718.db2.gz VPIROGQURKXVAP-UHFFFAOYSA-N 2 1 195.310 1.719 10 0 ADAEMP CC(C)[N@@H+](CCC(N)=[NH2+])C1CC1 42547904 573977869 /nfs/dbraw/zinc/97/78/69/573977869.db2.gz FTOCLKSVSIPHTD-UHFFFAOYSA-N 2 1 169.272 1.185 10 0 ADAEMP CC(C)C[N@@H+](CCCC[NH3+])C1CC1 42554546 573977912 /nfs/dbraw/zinc/97/79/12/573977912.db2.gz USSHVBKGKJANQW-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CN[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] 259256913 573977941 /nfs/dbraw/zinc/97/79/41/573977941.db2.gz GQHVNAFNEADPDE-KOLCDFICSA-N 2 1 178.279 1.603 10 0 ADAEMP Cc1[nH]cc(CC2CC[NH2+]CC2)[nH+]1 104401967 573977992 /nfs/dbraw/zinc/97/79/92/573977992.db2.gz NRGSPXVROUMGAR-UHFFFAOYSA-N 2 1 179.267 1.260 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1C[C@@H]1C[NH3+] 715096263 573978290 /nfs/dbraw/zinc/97/82/90/573978290.db2.gz VJINUAGPVUUELV-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CSC2(CC[NH+](C)CC2)[NH2+]1 87603134 573978313 /nfs/dbraw/zinc/97/83/13/573978313.db2.gz BYVIQRZINCUEHQ-QMMMGPOBSA-N 2 1 186.324 1.133 10 0 ADAEMP CC(C)CC[N@@H+](CCC(N)=[NH2+])C1CC1 42547862 573978407 /nfs/dbraw/zinc/97/84/07/573978407.db2.gz IRTQLXXSEUNCAQ-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP C[NH2+]C[C@H]1C[N@@H+](C)CCC1(C)C 259255672 573978488 /nfs/dbraw/zinc/97/84/88/573978488.db2.gz MRKUJBNSRIRFBI-VIFPVBQESA-N 2 1 170.300 1.184 10 0 ADAEMP CC(C)[N@H+](CC1CC1)C[C@@H](C)C(N)=[NH2+] 42584232 573978623 /nfs/dbraw/zinc/97/86/23/573978623.db2.gz LLQPWZDOZAHDMI-SECBINFHSA-N 2 1 197.326 1.679 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 42584081 573978661 /nfs/dbraw/zinc/97/86/61/573978661.db2.gz BNUFDJKKFDFJCK-ZJUUUORDSA-N 2 1 199.342 1.925 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](CC)CCOC 127828262 573980381 /nfs/dbraw/zinc/98/03/81/573980381.db2.gz NJYOEEYHXNRRQI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CN[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] 259256915 573979632 /nfs/dbraw/zinc/97/96/32/573979632.db2.gz GQHVNAFNEADPDE-ONGXEEELSA-N 2 1 178.279 1.603 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 42562722 573979634 /nfs/dbraw/zinc/97/96/34/573979634.db2.gz UYNDTXDJXVEHHJ-QWRGUYRKSA-N 2 1 186.343 1.948 10 0 ADAEMP CN[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] 259256914 573980035 /nfs/dbraw/zinc/98/00/35/573980035.db2.gz GQHVNAFNEADPDE-MWLCHTKSSA-N 2 1 178.279 1.603 10 0 ADAEMP C[C@@H]1C[NH2+]C2(CC[NH+](C)CC2)S1 87602618 573980281 /nfs/dbraw/zinc/98/02/81/573980281.db2.gz RHGHTTYNSWVTRT-MRVPVSSYSA-N 2 1 186.324 1.133 10 0 ADAEMP CC[C@H](C)[N@@H+](CCC(N)=[NH2+])C1CC1 42548033 573980291 /nfs/dbraw/zinc/98/02/91/573980291.db2.gz QABONSNMYANVAM-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[NH+]1CCC2(CC1)[NH2+]CCS2 87602438 573980315 /nfs/dbraw/zinc/98/03/15/573980315.db2.gz NWDDFHBDWMSRQE-UHFFFAOYSA-N 2 1 186.324 1.135 10 0 ADAEMP CC(C)C1([C@H](C[NH3+])[NH2+]C2CC2)CCC1 686133373 573983310 /nfs/dbraw/zinc/98/33/10/573983310.db2.gz ORDUPHZPEACGNZ-NSHDSACASA-N 2 1 196.338 1.892 10 0 ADAEMP CC(C)[N@@H+](CC[C@@H](C)[NH3+])CC1CC1 42581848 573983475 /nfs/dbraw/zinc/98/34/75/573983475.db2.gz LMKYZYZIYMJWOX-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+](CCOC)[C@@H](C)C[NH3+] 42578515 573983565 /nfs/dbraw/zinc/98/35/65/573983565.db2.gz QQZKYESVXKTJIB-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C)[N@@H+](CCOC)[C@@H](C)C[NH3+] 42578515 573983569 /nfs/dbraw/zinc/98/35/69/573983569.db2.gz QQZKYESVXKTJIB-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@H+]1CCC[C@@H]1C 45600817 573986535 /nfs/dbraw/zinc/98/65/35/573986535.db2.gz VOJZYMRFANQNGF-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CCC[C@H](C)[NH3+])C1CC1 45599329 573986561 /nfs/dbraw/zinc/98/65/61/573986561.db2.gz NRMREOZETCSOJW-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[N@@H+](C)CCC[C@H](C)[NH3+] 45598977 573986576 /nfs/dbraw/zinc/98/65/76/573986576.db2.gz QXYSVGYUEGIXDP-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[C@@H]([NH3+])CCCC[N@@H+](C)CC1CC1 45600879 573986584 /nfs/dbraw/zinc/98/65/84/573986584.db2.gz NKKUJFBGMWZHLI-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CCC[C@@H](C)[NH3+] 45600840 573986612 /nfs/dbraw/zinc/98/66/12/573986612.db2.gz XIMKOPIGAZIQQN-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](CCCC[C@@H](C)[NH3+])C1CC1 45599323 573986621 /nfs/dbraw/zinc/98/66/21/573986621.db2.gz QQWVJJDQNJBJMR-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H](C2([NH3+])CCC2)C1 258194863 573986096 /nfs/dbraw/zinc/98/60/96/573986096.db2.gz YVNANHXHCZSCGW-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP CCc1[nH+]ccn1CCC[C@H](C)[NH3+] 45604650 573986255 /nfs/dbraw/zinc/98/62/55/573986255.db2.gz ILNXIZHLABZKCB-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP C[C@H]([NH3+])CCCC[N@@H+](C)C1CC1 45599354 573986357 /nfs/dbraw/zinc/98/63/57/573986357.db2.gz FVWLKCRAEWRWCW-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C)C(C)(C)C1 259259925 573986473 /nfs/dbraw/zinc/98/64/73/573986473.db2.gz NBBKNEOHSHDJBZ-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)C1CCCC1 45599453 573986479 /nfs/dbraw/zinc/98/64/79/573986479.db2.gz JPCIJTVHXJLBDL-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[N@@H+](CCC[C@@H](C)[NH3+])C1CC1 45599535 573987055 /nfs/dbraw/zinc/98/70/55/573987055.db2.gz LCAFWKZZPDGGFD-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](C)CCC[C@@H](C)[NH2+]C 45599313 573987082 /nfs/dbraw/zinc/98/70/82/573987082.db2.gz AIASJNORWUCXQM-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)CC(C)C 45599608 573987150 /nfs/dbraw/zinc/98/71/50/573987150.db2.gz DBOGTTNSHFZDBB-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[N@@H+](C)CCCC[C@H](C)[NH2+]C 45599303 573987192 /nfs/dbraw/zinc/98/71/92/573987192.db2.gz PMYYBCLTUCURNM-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](C)CCCC[C@@H](C)[NH3+] 45599558 573987238 /nfs/dbraw/zinc/98/72/38/573987238.db2.gz GEVREUKRGHCJGW-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45599624 573987264 /nfs/dbraw/zinc/98/72/64/573987264.db2.gz ADXUCJBPSHWGLP-ZJUUUORDSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@H]1CSC2(CC[NH2+]CC2)[NH2+]1 87605658 573987273 /nfs/dbraw/zinc/98/72/73/573987273.db2.gz RNQPDZGNSNQYJS-QMMMGPOBSA-N 2 1 186.324 1.181 10 0 ADAEMP CC[N@@H+](CCC[C@H](C)[NH3+])C(C)C 45599392 573987319 /nfs/dbraw/zinc/98/73/19/573987319.db2.gz SUIPVBBZEIZUDB-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CC[N@@H+](C)CCCC[C@@H](C)[NH3+] 45599295 573987436 /nfs/dbraw/zinc/98/74/36/573987436.db2.gz SANRDWDGDKKMJM-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CC[N@@H+](C)CCC[C@H](C)[NH2+]C 45599314 573987590 /nfs/dbraw/zinc/98/75/90/573987590.db2.gz AIASJNORWUCXQM-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP C[C@H]([NH3+])CCCC[N@@H+](C)CC1CC1 45600876 573989501 /nfs/dbraw/zinc/98/95/01/573989501.db2.gz NKKUJFBGMWZHLI-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]([NH3+])CCCC[N@H+]1CC[C@@H](C)C1 45601034 573989551 /nfs/dbraw/zinc/98/95/51/573989551.db2.gz VFNGRYPEPCWCKF-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](CCC[C@H](C)[NH2+]C)C1CC1 45599344 573989574 /nfs/dbraw/zinc/98/95/74/573989574.db2.gz SUOQHMHDRQKNPL-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)CCC[C@@H](C)[NH3+] 45600121 573989583 /nfs/dbraw/zinc/98/95/83/573989583.db2.gz FEEVCCRSSWFGJG-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+][C@@H](C)CCC[N@@H+](C)C1CC1 45599378 573989649 /nfs/dbraw/zinc/98/96/49/573989649.db2.gz VGGVCOUDYSHRPC-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H](C)CCCC[N@@H+](C)C1CC1 45599364 573989660 /nfs/dbraw/zinc/98/96/60/573989660.db2.gz RWWLWXMPNUDDLG-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1C[N@@H+](CC(C)C)CCC1(C)C 259259815 573989666 /nfs/dbraw/zinc/98/96/66/573989666.db2.gz MYSBTMZXVJFERI-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](CC)CCC[C@H](C)[NH3+] 45599481 573989678 /nfs/dbraw/zinc/98/96/78/573989678.db2.gz UAQXRXJAAZJBKW-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[C@@H]([NH3+])CCCC[N@@H+](C)C1CC1 45599356 573989700 /nfs/dbraw/zinc/98/97/00/573989700.db2.gz FVWLKCRAEWRWCW-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)C[N@@H+](C)CCC[C@H](C)[NH3+] 45599593 573989177 /nfs/dbraw/zinc/98/91/77/573989177.db2.gz OLCHGQRGHBFAQW-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@H+]1CC[C@@H](C)C1 45601060 573989197 /nfs/dbraw/zinc/98/91/97/573989197.db2.gz NRGHSDBSTDBTDT-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](CCC[C@@H](C)[NH2+]C)C1CC1 45599342 573989268 /nfs/dbraw/zinc/98/92/68/573989268.db2.gz SUOQHMHDRQKNPL-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCc1[nH+]ccn1CCCC[C@@H](C)[NH3+] 45604657 573989284 /nfs/dbraw/zinc/98/92/84/573989284.db2.gz NOEUHHVDUNHERO-SNVBAGLBSA-N 2 1 195.310 1.963 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)[C@@H](C)C1CC1 45600118 573989303 /nfs/dbraw/zinc/98/93/03/573989303.db2.gz FEEVCCRSSWFGJG-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)C1CCCC1 45599451 573989353 /nfs/dbraw/zinc/98/93/53/573989353.db2.gz JPCIJTVHXJLBDL-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC1(C)CSC2(CC[NH2+]CC2)[NH2+]1 87606009 573989382 /nfs/dbraw/zinc/98/93/82/573989382.db2.gz QTTGXQPRCNELDK-UHFFFAOYSA-N 2 1 186.324 1.181 10 0 ADAEMP CCc1[nH+]ccn1CCC[C@H](C)[NH2+]C 45604644 573989386 /nfs/dbraw/zinc/98/93/86/573989386.db2.gz LDRRSAXERRKHMJ-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CC[NH2+][C@@H](C)CCC[N@@H+](C)CC 45599315 573989455 /nfs/dbraw/zinc/98/94/55/573989455.db2.gz MCWPRVUDJZDCRW-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1[C@H](C[NH3+])C1(F)F 715106723 573990185 /nfs/dbraw/zinc/99/01/85/573990185.db2.gz JRCNWDODINSMJC-JGVFFNPUSA-N 2 1 192.253 1.168 10 0 ADAEMP CC(C)[N@H+](C)CCCC[C@@H](C)[NH3+] 45598756 573990186 /nfs/dbraw/zinc/99/01/86/573990186.db2.gz WTXWBXCKWOSXPS-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)C1CC1 45599358 573990201 /nfs/dbraw/zinc/99/02/01/573990201.db2.gz YJOURPKZFRCIHA-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)CC(C)C 45599606 573990252 /nfs/dbraw/zinc/99/02/52/573990252.db2.gz DBOGTTNSHFZDBB-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C1CC1 45599376 573990258 /nfs/dbraw/zinc/99/02/58/573990258.db2.gz KVXPBNGPZPWRHR-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCc1[nH+]ccn1CCCC[C@H](C)[NH3+] 45604658 573990277 /nfs/dbraw/zinc/99/02/77/573990277.db2.gz NOEUHHVDUNHERO-JTQLQIEISA-N 2 1 195.310 1.963 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)CC1CC1 45600904 573990283 /nfs/dbraw/zinc/99/02/83/573990283.db2.gz XWWHVCMIZDQPQA-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP Cc1[nH+]ccn1CCC[C@@H](C)[NH3+] 45603892 573990289 /nfs/dbraw/zinc/99/02/89/573990289.db2.gz REPYSVHBBDEIIV-MRVPVSSYSA-N 2 1 167.256 1.319 10 0 ADAEMP CC(C)C[N@@H+](C)CCC[C@@H](C)[NH3+] 45599591 573990301 /nfs/dbraw/zinc/99/03/01/573990301.db2.gz OLCHGQRGHBFAQW-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)[N@H+](C)CCC[C@H](C)[NH3+] 45598759 573990306 /nfs/dbraw/zinc/99/03/06/573990306.db2.gz ZTMIAYZQJNDNNC-VIFPVBQESA-N 2 1 158.289 1.454 10 0 ADAEMP COCC[N@@H+](C)CCCC[C@H](C)[NH3+] 45601630 573990369 /nfs/dbraw/zinc/99/03/69/573990369.db2.gz CCRMZCLASODFHI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C[NH2+][C@@H]1C[N@@H+](CC(C)C)CCC1(C)C 259259813 573990381 /nfs/dbraw/zinc/99/03/81/573990381.db2.gz MYSBTMZXVJFERI-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](C)CCC[C@@H](C)[NH3+] 45599561 573990391 /nfs/dbraw/zinc/99/03/91/573990391.db2.gz TXZJJWJTXPOSSD-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP C[NH2+][C@@H](C)CCCC[N@@H+](C)C1CC1 45599362 573990411 /nfs/dbraw/zinc/99/04/11/573990411.db2.gz RWWLWXMPNUDDLG-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH2+]C)C(C)(C)C1 259259923 573990447 /nfs/dbraw/zinc/99/04/47/573990447.db2.gz NBBKNEOHSHDJBZ-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CCCC[C@H](C)[NH3+])C1CC1 45599325 573990478 /nfs/dbraw/zinc/99/04/78/573990478.db2.gz QQWVJJDQNJBJMR-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@H+]1CC[C@@H](C)C1 45601040 573990499 /nfs/dbraw/zinc/99/04/99/573990499.db2.gz IPMIKBKHIRXLGB-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)CCCC[C@H](C)[NH3+] 45599297 573990543 /nfs/dbraw/zinc/99/05/43/573990543.db2.gz SANRDWDGDKKMJM-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CCC[N@@H+](C)CCC[C@H](C)[NH3+] 45599563 573990605 /nfs/dbraw/zinc/99/06/05/573990605.db2.gz TXZJJWJTXPOSSD-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CC[N@H+]1CCC[C@@](C)(C(N)=[NH2+])C1 238233199 573990686 /nfs/dbraw/zinc/99/06/86/573990686.db2.gz WOWWKTWUFALCQN-SECBINFHSA-N 2 1 169.272 1.044 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+](C)CCC(N)=[NH2+] 42584067 573990798 /nfs/dbraw/zinc/99/07/98/573990798.db2.gz MDAILIFMPDYKAM-SECBINFHSA-N 2 1 185.315 1.679 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)CCC(N)=[NH2+] 42584070 573992569 /nfs/dbraw/zinc/99/25/69/573992569.db2.gz MDAILIFMPDYKAM-VIFPVBQESA-N 2 1 185.315 1.679 10 0 ADAEMP CC[N@H+]1CCC[C@@](C)(CC[NH3+])C1 238233352 573992626 /nfs/dbraw/zinc/99/26/26/573992626.db2.gz YIWPKAQHNXDCKI-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H](C)CC[NH3+] 87637293 573992989 /nfs/dbraw/zinc/99/29/89/573992989.db2.gz VJQWRNKRMNZOQB-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP Cc1ccc([C@@H](C)[NH2+]C2CC([NH3+])C2)o1 87651423 573993940 /nfs/dbraw/zinc/99/39/40/573993940.db2.gz JCDGAMLQGWRUPE-XNWIYYODSA-N 2 1 194.278 1.728 10 0 ADAEMP Cc1ccc(C[NH2+]C2CC([NH3+])C2)o1 87651882 573993494 /nfs/dbraw/zinc/99/34/94/573993494.db2.gz LMWUUYLEAKHUBF-UHFFFAOYSA-N 2 1 180.251 1.167 10 0 ADAEMP Cc1ccc([C@H](C)[NH2+]C2CC([NH3+])C2)o1 87651424 573993578 /nfs/dbraw/zinc/99/35/78/573993578.db2.gz JCDGAMLQGWRUPE-IDKOKCKLSA-N 2 1 194.278 1.728 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C1CCC1 127911003 573993669 /nfs/dbraw/zinc/99/36/69/573993669.db2.gz GGPKOAXTWLNYTF-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](CC1CC1)C1CC1 127911361 573993768 /nfs/dbraw/zinc/99/37/68/573993768.db2.gz YJHIPXRBGWPBAZ-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)C1CCC1 127903044 573993784 /nfs/dbraw/zinc/99/37/84/573993784.db2.gz MVWSKIUYSYIEFJ-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)C1CCC1 127912616 573993852 /nfs/dbraw/zinc/99/38/52/573993852.db2.gz XGWVKQGBGLCMBI-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[NH2+]C[C@@H](CC)[N@H+](C)C1CCC1 127907301 573994624 /nfs/dbraw/zinc/99/46/24/573994624.db2.gz JFFYRJNQSXGUAK-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]C[C@@H](CC)[N@@H+](C)C1CCC1 127907301 573994627 /nfs/dbraw/zinc/99/46/27/573994627.db2.gz JFFYRJNQSXGUAK-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]([NH2+]C1CC([NH3+])C1)c1ccccn1 87651189 573994699 /nfs/dbraw/zinc/99/46/99/573994699.db2.gz XSCFGRKZUYMNQH-IDKOKCKLSA-N 2 1 191.278 1.222 10 0 ADAEMP C[C@@H]([NH2+]C1CC([NH3+])C1)c1ccccn1 87651190 573994880 /nfs/dbraw/zinc/99/48/80/573994880.db2.gz XSCFGRKZUYMNQH-XNWIYYODSA-N 2 1 191.278 1.222 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+]1C[C@H]2CCC[C@H]2C1 127938781 573994948 /nfs/dbraw/zinc/99/49/48/573994948.db2.gz OTILDYBYINTHEG-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+]1C[C@H]2CCC[C@H]2C1 127938566 573995133 /nfs/dbraw/zinc/99/51/33/573995133.db2.gz OTILDYBYINTHEG-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C1CC([NH3+])C1 87653572 573997963 /nfs/dbraw/zinc/99/79/63/573997963.db2.gz WVRSHPIQPSHRJD-UHFFFAOYSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C1CC([NH3+])C1 87653198 573998010 /nfs/dbraw/zinc/99/80/10/573998010.db2.gz QEBFGBCROWESSP-UEJVZZJDSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C1CC([NH3+])C1 87653226 573998040 /nfs/dbraw/zinc/99/80/40/573998040.db2.gz RUVZKCIUHDKQRP-CUUXFQNZSA-N 2 1 168.284 1.206 10 0 ADAEMP CC[N@@H+](C(C)C)C1CC([NH3+])C1 87653188 573998129 /nfs/dbraw/zinc/99/81/29/573998129.db2.gz UZYATUXGLYDBHK-UHFFFAOYSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]1CCC[N@H+](C2CC([NH3+])C2)CC1 87653556 573998149 /nfs/dbraw/zinc/99/81/49/573998149.db2.gz OHMPQIWSNMBGNI-WHXUTIOJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH+](C)CCCC[NH2+]CC(F)F 45698638 573998224 /nfs/dbraw/zinc/99/82/24/573998224.db2.gz VHMTZNBUTQXIRI-UHFFFAOYSA-N 2 1 180.242 1.183 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C1CC([NH3+])C1 87653225 574000939 /nfs/dbraw/zinc/00/09/39/574000939.db2.gz RUVZKCIUHDKQRP-WFRXLMHJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](C2CC([NH3+])C2)C1 87653150 574000316 /nfs/dbraw/zinc/00/03/16/574000316.db2.gz JWKQPNBIKIULPK-IXBNRNDTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 87653415 574000486 /nfs/dbraw/zinc/00/04/86/574000486.db2.gz DABYKPLYLLTKMX-WNYYMSAVSA-N 2 1 196.338 1.987 10 0 ADAEMP CCC[NH2+][C@@H](C)CCc1c[nH+]cn1C 85169480 574000495 /nfs/dbraw/zinc/00/04/95/574000495.db2.gz CZPUJEWKTKHMGK-JTQLQIEISA-N 2 1 195.310 1.741 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]([C@H]2[NH2+]CCO2)C1 258198512 574000506 /nfs/dbraw/zinc/00/05/06/574000506.db2.gz VCVPYVJDLZMLQS-QWRGUYRKSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([C@H]2[NH2+]CCO2)C1 258198512 574000509 /nfs/dbraw/zinc/00/05/09/574000509.db2.gz VCVPYVJDLZMLQS-QWRGUYRKSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C1CC([NH3+])C1 87653128 574000522 /nfs/dbraw/zinc/00/05/22/574000522.db2.gz JFTAKNJSVKSYFK-IDKOKCKLSA-N 2 1 168.284 1.351 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]([C@@H]2[NH2+]CCO2)C1 258198519 574000651 /nfs/dbraw/zinc/00/06/51/574000651.db2.gz VCVPYVJDLZMLQS-WDEREUQCSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([C@@H]2[NH2+]CCO2)C1 258198519 574000656 /nfs/dbraw/zinc/00/06/56/574000656.db2.gz VCVPYVJDLZMLQS-WDEREUQCSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1C1CC([NH3+])C1 87653609 574000731 /nfs/dbraw/zinc/00/07/31/574000731.db2.gz UGKZXUBEFICHCO-MFQSTILNSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 87653412 574000763 /nfs/dbraw/zinc/00/07/63/574000763.db2.gz DABYKPLYLLTKMX-YYJSSNLHSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H]1CCC[N@H+](C2CC([NH3+])C2)CC1 87653584 574000855 /nfs/dbraw/zinc/00/08/55/574000855.db2.gz MZMZVUQCZFGDAC-VOMCLLRMSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@](C[NH3+])([NH2+]CCC1CC1)C1CCC1 393602856 574000880 /nfs/dbraw/zinc/00/08/80/574000880.db2.gz VYTVUFCHSAVCPA-GFCCVEGCSA-N 2 1 196.338 1.894 10 0 ADAEMP CC1(C)CC[N@H+](C2CC([NH3+])C2)C1 87653661 574002381 /nfs/dbraw/zinc/00/23/81/574002381.db2.gz QSWJHXYHADATNY-UHFFFAOYSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[N@H+](C2CC([NH3+])C2)C1 87653133 574002400 /nfs/dbraw/zinc/00/24/00/574002400.db2.gz NDQJHARQTRDPTK-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1CCC[N@H+](C2CC([NH3+])C2)C1 87653255 574002451 /nfs/dbraw/zinc/00/24/51/574002451.db2.gz UFLNXTLCBPAAAC-WHXUTIOJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1C1CC([NH3+])C1 87653580 574002482 /nfs/dbraw/zinc/00/24/82/574002482.db2.gz BRKTXGGXUOTAGZ-KPPDAEKUSA-N 2 1 182.311 1.741 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1C[NH3+] 715112921 574002540 /nfs/dbraw/zinc/00/25/40/574002540.db2.gz BJOJAHAUHNQFIN-UTUOFQBUSA-N 2 1 196.338 1.702 10 0 ADAEMP [NH3+]C1CC([N@H+]2CCC[C@H]3CCC[C@H]32)C1 87653600 574002545 /nfs/dbraw/zinc/00/25/45/574002545.db2.gz LMUNYNBBBAZKHU-HBIQZDMRSA-N 2 1 194.322 1.741 10 0 ADAEMP C[NH2+]C[C@@H](C[C@H]1CC[N@@H+](C)C1)C(C)C 259271232 574002574 /nfs/dbraw/zinc/00/25/74/574002574.db2.gz IVXBSICQZUYTQW-VXGBXAGGSA-N 2 1 198.354 1.820 10 0 ADAEMP [NH3+]C1CC([N@H+]2CCC[C@@H]3CCC[C@H]32)C1 87653601 574002689 /nfs/dbraw/zinc/00/26/89/574002689.db2.gz LMUNYNBBBAZKHU-WNYYMSAVSA-N 2 1 194.322 1.741 10 0 ADAEMP Cn1c[nH+]cc1CC[C@H]1CCCC[NH2+]1 85168000 574002701 /nfs/dbraw/zinc/00/27/01/574002701.db2.gz BMMPKIVPDDPATE-SNVBAGLBSA-N 2 1 193.294 1.495 10 0 ADAEMP CC(C)C[NH+](CC(N)=[NH2+])CC(C)C 104487585 574002702 /nfs/dbraw/zinc/00/27/02/574002702.db2.gz ILISVCJTUWLUTO-UHFFFAOYSA-N 2 1 185.315 1.536 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@@H+](C)C2CC([NH3+])C2)C1 87653338 574002734 /nfs/dbraw/zinc/00/27/34/574002734.db2.gz HJTSDKGZLLPBHN-QTAHKJALSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C1CC([NH3+])C1 87653197 574002778 /nfs/dbraw/zinc/00/27/78/574002778.db2.gz QEBFGBCROWESSP-AFPNSQJFSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@@H]1CC[N@@H+](C2CC([NH3+])C2)[C@H](C)C1 87653476 574002795 /nfs/dbraw/zinc/00/27/95/574002795.db2.gz OATVCPQQGRGSFK-NKVNRFPTSA-N 2 1 182.311 1.597 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 48249753 574002972 /nfs/dbraw/zinc/00/29/72/574002972.db2.gz PJWZXTHHKUROSB-QMMMGPOBSA-N 2 1 171.288 1.433 10 0 ADAEMP Cc1ccc[nH+]c1NC[C@H]1CC[NH2+]C1 87655280 574003785 /nfs/dbraw/zinc/00/37/85/574003785.db2.gz ACRDVIGWMGJTML-JTQLQIEISA-N 2 1 191.278 1.411 10 0 ADAEMP C[NH2+]C[C@H](C[C@H]1CC[N@@H+](C)C1)C(C)C 259271220 574004085 /nfs/dbraw/zinc/00/40/85/574004085.db2.gz IVXBSICQZUYTQW-NEPJUHHUSA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C[NH3+])C1 715113636 574004322 /nfs/dbraw/zinc/00/43/22/574004322.db2.gz GCVPKDDCDCRPDX-WOPDTQHZSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH+](C)CCC[NH2+]Cc1ccc[nH]1 48408765 574004877 /nfs/dbraw/zinc/00/48/77/574004877.db2.gz OWKWHZSPQXTQKT-UHFFFAOYSA-N 2 1 181.283 1.056 10 0 ADAEMP C[C@H]([NH3+])Cc1c[nH+]cn1C1CC1 85189631 574004896 /nfs/dbraw/zinc/00/48/96/574004896.db2.gz HFMAFEVKBULHGB-ZETCQYMHSA-N 2 1 165.240 1.108 10 0 ADAEMP CCCn1c[nH+]cc1C1CC[NH2+]CC1 85187442 574005037 /nfs/dbraw/zinc/00/50/37/574005037.db2.gz RJXMGRHMUNMNGA-UHFFFAOYSA-N 2 1 193.294 1.760 10 0 ADAEMP Cc1ccc[nH+]c1NC[C@@H]1CC[NH2+]C1 87655279 574005181 /nfs/dbraw/zinc/00/51/81/574005181.db2.gz ACRDVIGWMGJTML-SNVBAGLBSA-N 2 1 191.278 1.411 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C[NH3+])C[C@@H]1C 715115605 574005296 /nfs/dbraw/zinc/00/52/96/574005296.db2.gz QDJGPDBKIBXLPF-RHYQMDGZSA-N 2 1 196.338 1.559 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@H]1C[C@@H]1[NH3+] 85189112 574006785 /nfs/dbraw/zinc/00/67/85/574006785.db2.gz XBTCKTRJBWXQGG-YUMQZZPRSA-N 2 1 165.240 1.279 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85189762 574006807 /nfs/dbraw/zinc/00/68/07/574006807.db2.gz QPBRACGQGIKGAY-HGNGGELXSA-N 2 1 191.278 1.669 10 0 ADAEMP CC[N@@H+]1CC=C(C[C@H](C)[NH3+])CC1 258199884 574006827 /nfs/dbraw/zinc/00/68/27/574006827.db2.gz UNKMYDZNOGFQTD-VIFPVBQESA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@@H]1C[C@@H]1[NH3+] 85189110 574006925 /nfs/dbraw/zinc/00/69/25/574006925.db2.gz XBTCKTRJBWXQGG-SFYZADRCSA-N 2 1 165.240 1.279 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@@H]1C[C@H]1[NH3+] 85189114 574007019 /nfs/dbraw/zinc/00/70/19/574007019.db2.gz XBTCKTRJBWXQGG-HTQZYQBOSA-N 2 1 165.240 1.279 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C1([NH3+])CCCC1 258199515 574007218 /nfs/dbraw/zinc/00/72/18/574007218.db2.gz ZDKRFQIDKHJDHJ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@@H]1C[NH3+] 85187384 574009307 /nfs/dbraw/zinc/00/93/07/574009307.db2.gz ZXRTUZCQYRITOS-RKDXNWHRSA-N 2 1 179.267 1.355 10 0 ADAEMP CC[N@@H+]1CC=C(CC[NH+](C)C)CC1 258202276 574009431 /nfs/dbraw/zinc/00/94/31/574009431.db2.gz UROFNHLMEMYFRV-UHFFFAOYSA-N 2 1 182.311 1.590 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](CC2([NH3+])CCC2)C1 258204592 574009856 /nfs/dbraw/zinc/00/98/56/574009856.db2.gz ZLBSVLBIHJVZMG-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@@H](C[NH2+]C)C1 259272149 574009870 /nfs/dbraw/zinc/00/98/70/574009870.db2.gz NSTLTAQTNXUGRW-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]C)C[C@@H]1C 238247341 574009880 /nfs/dbraw/zinc/00/98/80/574009880.db2.gz ZRINLIIHOPHAPQ-GUBZILKMSA-N 2 1 170.300 1.325 10 0 ADAEMP c1[nH+]cn(C2CC2)c1C1CC[NH2+]CC1 85191095 574011153 /nfs/dbraw/zinc/01/11/53/574011153.db2.gz HFEBJNDAGZSJOX-UHFFFAOYSA-N 2 1 191.278 1.685 10 0 ADAEMP [NH3+]C[C@@H]1C[C@H]1c1c[nH+]cn1C1CC1 85191045 574011683 /nfs/dbraw/zinc/01/16/83/574011683.db2.gz LKFBJAYAJDNOQK-IONNQARKSA-N 2 1 177.251 1.280 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH2+]C)CCC1(C)C 259272139 574011727 /nfs/dbraw/zinc/01/17/27/574011727.db2.gz GCKKOZOAAQLPSC-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+][C@@H]1C[C@H]1c1c[nH+]cn1C1CC1 85190915 574011832 /nfs/dbraw/zinc/01/18/32/574011832.db2.gz QNQKUXHAPDPATD-HTQZYQBOSA-N 2 1 163.224 1.033 10 0 ADAEMP [NH3+][C@H]1C[C@H]1c1c[nH+]cn1C1CC1 85190910 574011855 /nfs/dbraw/zinc/01/18/55/574011855.db2.gz QNQKUXHAPDPATD-SFYZADRCSA-N 2 1 163.224 1.033 10 0 ADAEMP c1[nH+]cn(C2CC2)c1C[C@@H]1CC[NH2+]C1 85191187 574011917 /nfs/dbraw/zinc/01/19/17/574011917.db2.gz CWGMRNMJHPHDBQ-VIFPVBQESA-N 2 1 191.278 1.370 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2C[NH+](C3CC3)C[C@H]2C1 585382037 574012016 /nfs/dbraw/zinc/01/20/16/574012016.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 2 1 194.322 1.421 10 0 ADAEMP CC(C)[NH+]1C[C@H]2C[N@@H+](C3CC3)C[C@H]2C1 585382037 574012020 /nfs/dbraw/zinc/01/20/20/574012020.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 2 1 194.322 1.421 10 0 ADAEMP CC(C)[NH+]1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382037 574012023 /nfs/dbraw/zinc/01/20/23/574012023.db2.gz GRWSDHQXPHYPQO-PHIMTYICSA-N 2 1 194.322 1.421 10 0 ADAEMP CCC[N@H+]1C[C@H]2C[NH+](C3CC3)C[C@H]2C1 585382258 574012050 /nfs/dbraw/zinc/01/20/50/574012050.db2.gz KWYHYKBEBJYERC-PHIMTYICSA-N 2 1 194.322 1.422 10 0 ADAEMP CCC[NH+]1C[C@H]2C[N@@H+](C3CC3)C[C@H]2C1 585382258 574012055 /nfs/dbraw/zinc/01/20/55/574012055.db2.gz KWYHYKBEBJYERC-PHIMTYICSA-N 2 1 194.322 1.422 10 0 ADAEMP CCC[NH+]1C[C@H]2C[N@H+](C3CC3)C[C@H]2C1 585382258 574012057 /nfs/dbraw/zinc/01/20/57/574012057.db2.gz KWYHYKBEBJYERC-PHIMTYICSA-N 2 1 194.322 1.422 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H](C)[NH2+][C@@H]1C 238247629 574012066 /nfs/dbraw/zinc/01/20/66/574012066.db2.gz JYXUVZJCKDNVNU-DJLDLDEBSA-N 2 1 156.273 1.125 10 0 ADAEMP C[N@H+]1C[C@H]2C[NH+](C3CCCC3)C[C@H]2C1 585382923 574012880 /nfs/dbraw/zinc/01/28/80/574012880.db2.gz WBYTWQKHSMIHSF-PHIMTYICSA-N 2 1 194.322 1.422 10 0 ADAEMP C[NH+]1C[C@H]2C[N@@H+](C3CCCC3)C[C@H]2C1 585382923 574012884 /nfs/dbraw/zinc/01/28/84/574012884.db2.gz WBYTWQKHSMIHSF-PHIMTYICSA-N 2 1 194.322 1.422 10 0 ADAEMP C[NH+]1C[C@H]2C[N@H+](C3CCCC3)C[C@H]2C1 585382923 574012886 /nfs/dbraw/zinc/01/28/86/574012886.db2.gz WBYTWQKHSMIHSF-PHIMTYICSA-N 2 1 194.322 1.422 10 0 ADAEMP [NH3+]C[C@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85191043 574012966 /nfs/dbraw/zinc/01/29/66/574012966.db2.gz LKFBJAYAJDNOQK-APPZFPTMSA-N 2 1 177.251 1.280 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+]2CCC[C@@H]12 123398896 574013331 /nfs/dbraw/zinc/01/33/31/574013331.db2.gz YCIPTKFBKFAJGY-BNFOFFDWSA-N 2 1 166.268 1.130 10 0 ADAEMP [NH3+]C[C@H]1C[C@H]1c1c[nH+]cn1C1CC1 85191041 574013381 /nfs/dbraw/zinc/01/33/81/574013381.db2.gz LKFBJAYAJDNOQK-VXNVDRBHSA-N 2 1 177.251 1.280 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85191047 574013420 /nfs/dbraw/zinc/01/34/20/574013420.db2.gz LKFBJAYAJDNOQK-CBAPKCEASA-N 2 1 177.251 1.280 10 0 ADAEMP [NH3+][C@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85190912 574013554 /nfs/dbraw/zinc/01/35/54/574013554.db2.gz QNQKUXHAPDPATD-YUMQZZPRSA-N 2 1 163.224 1.033 10 0 ADAEMP C[N@H+]1CC[NH2+]CC2(CCCC2)C1 259272961 574015024 /nfs/dbraw/zinc/01/50/24/574015024.db2.gz PELPUNGVPCANRT-UHFFFAOYSA-N 2 1 168.284 1.082 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH3+])CCC1(C)C 259275042 574016707 /nfs/dbraw/zinc/01/67/07/574016707.db2.gz GHDUUUFOMUSTBC-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C1(C(C)C)CCC1 686130316 574018088 /nfs/dbraw/zinc/01/80/88/574018088.db2.gz AEXRURLGRXSGLJ-VIFPVBQESA-N 2 1 170.300 1.359 10 0 ADAEMP Cc1cc([C@H]([NH3+])CN)cs1 104506787 574020118 /nfs/dbraw/zinc/02/01/18/574020118.db2.gz JVBVPZBJGPLUTH-SSDOTTSWSA-N 2 1 156.254 1.015 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@H]2CC[NH2+]C2)C1 259277442 574021673 /nfs/dbraw/zinc/02/16/73/574021673.db2.gz YQLFRAFEMXVZEQ-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CC[C@@H](CCCC[NH3+])C1 259277717 574021719 /nfs/dbraw/zinc/02/17/19/574021719.db2.gz YVTWVUBQXQLGHS-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[C@@H]1CC[N@@H+](C)C1 259279207 574022261 /nfs/dbraw/zinc/02/22/61/574022261.db2.gz JDSPSPHPHYWLGP-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@@H]2CC[NH2+]C2)C1 259277440 574022375 /nfs/dbraw/zinc/02/23/75/574022375.db2.gz YQLFRAFEMXVZEQ-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282077 574027582 /nfs/dbraw/zinc/02/75/82/574027582.db2.gz YXJUJTGZHGIIFB-WYUUTHIRSA-N 2 1 194.322 1.326 10 0 ADAEMP CC1(C)CC[C@@](C[NH3+])([NH2+]C2CC2)C1 87772569 574027596 /nfs/dbraw/zinc/02/75/96/574027596.db2.gz ZNJULQFDQSUXLX-LLVKDONJSA-N 2 1 182.311 1.646 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(C)(C)C 85284057 574027660 /nfs/dbraw/zinc/02/76/60/574027660.db2.gz DUTDIFRNFJSYQN-MXWKQRLJSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(C)C 85286567 574027685 /nfs/dbraw/zinc/02/76/85/574027685.db2.gz UOEZDSQJXJBOJJ-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284383 574027710 /nfs/dbraw/zinc/02/77/10/574027710.db2.gz DTCUVDJKPYFCKU-FIQHERPVSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC1CC1 85286104 574027721 /nfs/dbraw/zinc/02/77/21/574027721.db2.gz QLVCZFSENJVYNA-YUSALJHKSA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@@H](C(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282059 574027730 /nfs/dbraw/zinc/02/77/30/574027730.db2.gz KGYNHSZCCWDXRE-TUAOUCFPSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC 85286749 574027744 /nfs/dbraw/zinc/02/77/44/574027744.db2.gz RZAWKARMOFKUKC-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC1(C)CC[C@](C[NH3+])([NH2+]C2CC2)C1 87772570 574027784 /nfs/dbraw/zinc/02/77/84/574027784.db2.gz ZNJULQFDQSUXLX-NSHDSACASA-N 2 1 182.311 1.646 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282079 574027795 /nfs/dbraw/zinc/02/77/95/574027795.db2.gz YXJUJTGZHGIIFB-WISYIIOYSA-N 2 1 194.322 1.326 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772564 574027825 /nfs/dbraw/zinc/02/78/25/574027825.db2.gz DKJFYOLSUCFOML-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C(C)C 85286643 574027845 /nfs/dbraw/zinc/02/78/45/574027845.db2.gz RRXYXWYABMTPTN-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCCC1 85283887 574027923 /nfs/dbraw/zinc/02/79/23/574027923.db2.gz HTDSBNJHESZIBL-CKYFFXLPSA-N 2 1 194.322 1.469 10 0 ADAEMP CCC(CC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282192 574027953 /nfs/dbraw/zinc/02/79/53/574027953.db2.gz IARRNPRDLWKGGB-AOOOYVTPSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCC1 85286458 574027960 /nfs/dbraw/zinc/02/79/60/574027960.db2.gz RQAKLYGTPNSBQN-ADEWGFFLSA-N 2 1 194.322 1.469 10 0 ADAEMP CC(C)(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282147 574027995 /nfs/dbraw/zinc/02/79/95/574027995.db2.gz LEMYVSUPIRDLNN-AOOOYVTPSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCC1 85286454 574028035 /nfs/dbraw/zinc/02/80/35/574028035.db2.gz RQAKLYGTPNSBQN-YUSALJHKSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCCC1 85283882 574028066 /nfs/dbraw/zinc/02/80/66/574028066.db2.gz HTDSBNJHESZIBL-FOGDFJRCSA-N 2 1 194.322 1.469 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85285934 574028105 /nfs/dbraw/zinc/02/81/05/574028105.db2.gz BXBOAZJUTLHBQE-MPZJWQKYSA-N 2 1 180.295 1.102 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC(C)(C)C1 87772567 574028123 /nfs/dbraw/zinc/02/81/23/574028123.db2.gz JSPLCGLDLIQPQU-LLVKDONJSA-N 2 1 184.327 1.892 10 0 ADAEMP CC1(C)CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 87772858 574028210 /nfs/dbraw/zinc/02/82/10/574028210.db2.gz KOHOZLDMFZOSOO-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C1 87772858 574028212 /nfs/dbraw/zinc/02/82/12/574028212.db2.gz KOHOZLDMFZOSOO-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC(CC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284122 574028237 /nfs/dbraw/zinc/02/82/37/574028237.db2.gz LRJDCGQDRLEEHL-JBLDHEPKSA-N 2 1 196.338 1.715 10 0 ADAEMP CC1(C)CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1 87772860 574028286 /nfs/dbraw/zinc/02/82/86/574028286.db2.gz OHUGAZPJKRMVPO-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85284087 574028294 /nfs/dbraw/zinc/02/82/94/574028294.db2.gz OKVADJNEGRBIQH-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282303 574028298 /nfs/dbraw/zinc/02/82/98/574028298.db2.gz REYPCTPRYXYIOH-GRYCIOLGSA-N 2 1 194.322 1.326 10 0 ADAEMP CC1(C)CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1 87772861 574028309 /nfs/dbraw/zinc/02/83/09/574028309.db2.gz OHUGAZPJKRMVPO-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(C)(C)C 85284062 574028350 /nfs/dbraw/zinc/02/83/50/574028350.db2.gz DUTDIFRNFJSYQN-GMTAPVOTSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@@H](C)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282084 574028372 /nfs/dbraw/zinc/02/83/72/574028372.db2.gz OQUDHTHONLZOLZ-KKOKHZNYSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282334 574028441 /nfs/dbraw/zinc/02/84/41/574028441.db2.gz OUWGKHDOQNOVCY-WYUUTHIRSA-N 2 1 194.322 1.326 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772568 574028464 /nfs/dbraw/zinc/02/84/64/574028464.db2.gz JSPLCGLDLIQPQU-NSHDSACASA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282078 574028465 /nfs/dbraw/zinc/02/84/65/574028465.db2.gz YXJUJTGZHGIIFB-YFKTTZPYSA-N 2 1 194.322 1.326 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@@H+]1CCC(F)(F)C1 259285069 574029891 /nfs/dbraw/zinc/02/98/91/574029891.db2.gz BVQGTSYSTDFTES-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@H+]1CCC(F)(F)C1 259285069 574029893 /nfs/dbraw/zinc/02/98/93/574029893.db2.gz BVQGTSYSTDFTES-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288147 574029269 /nfs/dbraw/zinc/02/92/69/574029269.db2.gz WMVAMALNRUJYQB-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCCC[NH2+]CCn1cc[nH+]c1C 49329719 574029355 /nfs/dbraw/zinc/02/93/55/574029355.db2.gz XYOAMMOUXOWRFH-UHFFFAOYSA-N 2 1 195.310 1.971 10 0 ADAEMP CCCC[NH2+]CCn1cc[nH+]c1C 49329782 574029409 /nfs/dbraw/zinc/02/94/09/574029409.db2.gz SUZOKBIIJSFIBF-UHFFFAOYSA-N 2 1 181.283 1.581 10 0 ADAEMP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1CC1CC1 85288235 574029432 /nfs/dbraw/zinc/02/94/32/574029432.db2.gz VACRPNMTBWIJBW-QWRGUYRKSA-N 2 1 194.322 1.326 10 0 ADAEMP C[C@H](CC[NH3+])C[N@@H+]1CCC(F)(F)C1 259285068 574029444 /nfs/dbraw/zinc/02/94/44/574029444.db2.gz BVQGTSYSTDFTES-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP C[C@H](CC[NH3+])C[N@H+]1CCC(F)(F)C1 259285068 574029447 /nfs/dbraw/zinc/02/94/47/574029447.db2.gz BVQGTSYSTDFTES-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP CCC(C)(C)[NH2+]CCn1cc[nH+]c1C 49329677 574029463 /nfs/dbraw/zinc/02/94/63/574029463.db2.gz WXJWSPYDBPGXFI-UHFFFAOYSA-N 2 1 195.310 1.970 10 0 ADAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CC1 85288225 574029480 /nfs/dbraw/zinc/02/94/80/574029480.db2.gz VACRPNMTBWIJBW-GHMZBOCLSA-N 2 1 194.322 1.326 10 0 ADAEMP CCC[N@H+](CCF)CCC[NH3+] 87774437 574029637 /nfs/dbraw/zinc/02/96/37/574029637.db2.gz KJIDJLPVGQEOED-UHFFFAOYSA-N 2 1 162.252 1.017 10 0 ADAEMP CCC[N@@H+](CCF)CCC[NH3+] 87774437 574029639 /nfs/dbraw/zinc/02/96/39/574029639.db2.gz KJIDJLPVGQEOED-UHFFFAOYSA-N 2 1 162.252 1.017 10 0 ADAEMP CCC[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288293 574029646 /nfs/dbraw/zinc/02/96/46/574029646.db2.gz QYKVHFKLZHZKQO-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85287929 574029676 /nfs/dbraw/zinc/02/96/76/574029676.db2.gz VFDHLGWIBJWGLM-DCAQKATOSA-N 2 1 196.338 1.715 10 0 ADAEMP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CC1 85288227 574029703 /nfs/dbraw/zinc/02/97/03/574029703.db2.gz VACRPNMTBWIJBW-MNOVXSKESA-N 2 1 194.322 1.326 10 0 ADAEMP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCC1 85287944 574029718 /nfs/dbraw/zinc/02/97/18/574029718.db2.gz DBXKHLHQFMGVNB-MWLCHTKSSA-N 2 1 194.322 1.469 10 0 ADAEMP CC(C)C[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288071 574029762 /nfs/dbraw/zinc/02/97/62/574029762.db2.gz XDEVWIMGTJTDBI-MNOVXSKESA-N 2 1 196.338 1.572 10 0 ADAEMP CCCC[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288150 574029806 /nfs/dbraw/zinc/02/98/06/574029806.db2.gz WMVAMALNRUJYQB-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259285778 574031595 /nfs/dbraw/zinc/03/15/95/574031595.db2.gz OSDYCBWSOBHFTO-LLVKDONJSA-N 2 1 198.354 1.949 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]CC1CCC1 49330047 574031643 /nfs/dbraw/zinc/03/16/43/574031643.db2.gz PXNJCGXBFPGOIF-UHFFFAOYSA-N 2 1 193.294 1.581 10 0 ADAEMP CC1(C)[C@@H](C[NH3+])CC[N@H+]1C1CC1 259285812 574031696 /nfs/dbraw/zinc/03/16/96/574031696.db2.gz GVDBMCOBYZYFEX-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCF 87775802 574032067 /nfs/dbraw/zinc/03/20/67/574032067.db2.gz HTWVAWFKVLJZKL-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCF 87775802 574032070 /nfs/dbraw/zinc/03/20/70/574032070.db2.gz HTWVAWFKVLJZKL-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCF 87775801 574032078 /nfs/dbraw/zinc/03/20/78/574032078.db2.gz HTWVAWFKVLJZKL-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCF 87775801 574032080 /nfs/dbraw/zinc/03/20/80/574032080.db2.gz HTWVAWFKVLJZKL-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[NH2+][C@H]1CCC(C)(C)[N@H+](C)C1 259291373 574036534 /nfs/dbraw/zinc/03/65/34/574036534.db2.gz HCSWKUJKIUPKDT-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H]1CCC(C)(C)[N@@H+](C)C1 259291373 574036537 /nfs/dbraw/zinc/03/65/37/574036537.db2.gz HCSWKUJKIUPKDT-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCC([NH3+])CC2)C1 259290994 574036683 /nfs/dbraw/zinc/03/66/83/574036683.db2.gz PWAVJOCZTJONKT-YVNMAJEFSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@@H]2CCC[NH2+]C2)C1 259291005 574036743 /nfs/dbraw/zinc/03/67/43/574036743.db2.gz ZVNLZCARHYENTB-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+][C@@H]1CCC(C)(C)[N@H+](C)C1 259291368 574036876 /nfs/dbraw/zinc/03/68/76/574036876.db2.gz HCSWKUJKIUPKDT-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H]1CCC(C)(C)[N@@H+](C)C1 259291368 574036878 /nfs/dbraw/zinc/03/68/78/574036878.db2.gz HCSWKUJKIUPKDT-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@H]2CCC[NH2+]C2)C1 259291011 574037091 /nfs/dbraw/zinc/03/70/91/574037091.db2.gz ZVNLZCARHYENTB-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]C[C@@H]1C[N@H+](C2CC2)CCC1(C)C 259292865 574038349 /nfs/dbraw/zinc/03/83/49/574038349.db2.gz PDQSVWMBMBGYED-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1C[C@@H]([NH2+]C)CC1(C)C 259297091 574041603 /nfs/dbraw/zinc/04/16/03/574041603.db2.gz HIWZGZLDBCBNLW-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC1(C)CC[C@@H](C[NH3+])C[N@H+]1C1CC1 259294361 574041989 /nfs/dbraw/zinc/04/19/89/574041989.db2.gz HGXHSMRMAKAXDH-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]ccn1CCCCC[NH3+] 49580816 574043919 /nfs/dbraw/zinc/04/39/19/574043919.db2.gz HIRBFQJESFSLFB-UHFFFAOYSA-N 2 1 167.256 1.321 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@H]([NH3+])CC1(C)C 259300323 574047732 /nfs/dbraw/zinc/04/77/32/574047732.db2.gz HMNWEHHZLVLVQA-VIFPVBQESA-N 2 1 184.327 1.987 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@@H]([NH3+])CC1(C)C 259300318 574047809 /nfs/dbraw/zinc/04/78/09/574047809.db2.gz HMNWEHHZLVLVQA-SECBINFHSA-N 2 1 184.327 1.987 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H](C[NH3+])C1(C)C 259300395 574047889 /nfs/dbraw/zinc/04/78/89/574047889.db2.gz HMYFBHMPHOUNQM-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+]CC1=CC[N@H+](C2CCCCC2)CC1 259300254 574047988 /nfs/dbraw/zinc/04/79/88/574047988.db2.gz VEGKXJSKCDYIIU-UHFFFAOYSA-N 2 1 194.322 1.910 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169099500 760943545 /nfs/dbraw/zinc/94/35/45/760943545.db2.gz TWAXMXSRUCZWMR-FIQHERPVSA-N 2 1 196.338 2.000 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169099503 760949266 /nfs/dbraw/zinc/94/92/66/760949266.db2.gz TWAXMXSRUCZWMR-YFKTTZPYSA-N 2 1 196.338 2.000 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169099501 760951083 /nfs/dbraw/zinc/95/10/83/760951083.db2.gz TWAXMXSRUCZWMR-KKOKHZNYSA-N 2 1 196.338 2.000 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 1169099502 760957684 /nfs/dbraw/zinc/95/76/84/760957684.db2.gz TWAXMXSRUCZWMR-WISYIIOYSA-N 2 1 196.338 2.000 10 0 ADAEMP CCc1cccc(NCC[C@@H](C)[NH3+])[nH+]1 1170891424 761076029 /nfs/dbraw/zinc/07/60/29/761076029.db2.gz YRJZTYVZLOQKMI-SECBINFHSA-N 2 1 193.294 1.793 10 0 ADAEMP Cc1cc[nH+]c(C)c1NCC[C@@H](C)[NH3+] 1170890680 761079046 /nfs/dbraw/zinc/07/90/46/761079046.db2.gz MPMQJSAGUWXADX-SECBINFHSA-N 2 1 193.294 1.848 10 0 ADAEMP CCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 1198260337 761713303 /nfs/dbraw/zinc/71/33/03/761713303.db2.gz HZLMNHFSCQZDRZ-MNOVXSKESA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 1198260337 761713311 /nfs/dbraw/zinc/71/33/11/761713311.db2.gz HZLMNHFSCQZDRZ-MNOVXSKESA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 1198260337 761713323 /nfs/dbraw/zinc/71/33/23/761713323.db2.gz HZLMNHFSCQZDRZ-MNOVXSKESA-N 2 1 182.311 1.280 10 0 ADAEMP CC(C)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1201470128 761765841 /nfs/dbraw/zinc/76/58/41/761765841.db2.gz CXZXILDWWCQNHC-NEPJUHHUSA-N 2 1 196.338 1.526 10 0 ADAEMP CC(C)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 1201470128 761765853 /nfs/dbraw/zinc/76/58/53/761765853.db2.gz CXZXILDWWCQNHC-NEPJUHHUSA-N 2 1 196.338 1.526 10 0 ADAEMP CC(C)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 1201470128 761765864 /nfs/dbraw/zinc/76/58/64/761765864.db2.gz CXZXILDWWCQNHC-NEPJUHHUSA-N 2 1 196.338 1.526 10 0 ADAEMP CCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1201637730 761801802 /nfs/dbraw/zinc/80/18/02/761801802.db2.gz AIBYHKATOKOVNP-MNOVXSKESA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 1201637730 761801803 /nfs/dbraw/zinc/80/18/03/761801803.db2.gz AIBYHKATOKOVNP-MNOVXSKESA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 1201637730 761801806 /nfs/dbraw/zinc/80/18/06/761801806.db2.gz AIBYHKATOKOVNP-MNOVXSKESA-N 2 1 182.311 1.280 10 0 ADAEMP C[C@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N 1209728771 762319814 /nfs/dbraw/zinc/31/98/14/762319814.db2.gz VDNDFALWRORUJX-VIFPVBQESA-N 2 1 191.278 1.478 10 0 ADAEMP C[C@H]1CCC[N@H+]1Cc1c[nH+]ccc1N 1209728771 762319818 /nfs/dbraw/zinc/31/98/18/762319818.db2.gz VDNDFALWRORUJX-VIFPVBQESA-N 2 1 191.278 1.478 10 0 ADAEMP C[N@@H+](Cc1c[nH+]ccc1N)CC1CC1 1209727953 762320058 /nfs/dbraw/zinc/32/00/58/762320058.db2.gz OXHFBKJMDWZZQB-UHFFFAOYSA-N 2 1 191.278 1.336 10 0 ADAEMP C[N@H+](Cc1c[nH+]ccc1N)CC1CC1 1209727953 762320064 /nfs/dbraw/zinc/32/00/64/762320064.db2.gz OXHFBKJMDWZZQB-UHFFFAOYSA-N 2 1 191.278 1.336 10 0 ADAEMP C[C@H]1CC[N@H+](Cc2c[nH+]ccc2N)C1 1209730603 762320927 /nfs/dbraw/zinc/32/09/27/762320927.db2.gz ZJBHJNZBAPAANR-VIFPVBQESA-N 2 1 191.278 1.336 10 0 ADAEMP C[C@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C1 1209730603 762320931 /nfs/dbraw/zinc/32/09/31/762320931.db2.gz ZJBHJNZBAPAANR-VIFPVBQESA-N 2 1 191.278 1.336 10 0 ADAEMP CCCC[N@H+](C)Cc1c[nH+]ccc1N 1209726470 762321255 /nfs/dbraw/zinc/32/12/55/762321255.db2.gz GDHTZOVAKMQABP-UHFFFAOYSA-N 2 1 193.294 1.726 10 0 ADAEMP CCCC[N@@H+](C)Cc1c[nH+]ccc1N 1209726470 762321261 /nfs/dbraw/zinc/32/12/61/762321261.db2.gz GDHTZOVAKMQABP-UHFFFAOYSA-N 2 1 193.294 1.726 10 0 ADAEMP CC(C)[N@H+](C)Cc1c[nH+]ccc1N 1209727063 762321469 /nfs/dbraw/zinc/32/14/69/762321469.db2.gz JBMTUBVYPBFXKH-UHFFFAOYSA-N 2 1 179.267 1.334 10 0 ADAEMP CC(C)[N@@H+](C)Cc1c[nH+]ccc1N 1209727063 762321476 /nfs/dbraw/zinc/32/14/76/762321476.db2.gz JBMTUBVYPBFXKH-UHFFFAOYSA-N 2 1 179.267 1.334 10 0 ADAEMP CCC[N@H+](C)Cc1c[nH+]ccc1N 1209726657 762321986 /nfs/dbraw/zinc/32/19/86/762321986.db2.gz IKFHWQJUNVZLTR-UHFFFAOYSA-N 2 1 179.267 1.336 10 0 ADAEMP CCC[N@@H+](C)Cc1c[nH+]ccc1N 1209726657 762321990 /nfs/dbraw/zinc/32/19/90/762321990.db2.gz IKFHWQJUNVZLTR-UHFFFAOYSA-N 2 1 179.267 1.336 10 0 ADAEMP CC[N@H+](Cc1c[nH+]ccc1N)C1CC1 1209726606 762322406 /nfs/dbraw/zinc/32/24/06/762322406.db2.gz HKKSOWULHURTEI-UHFFFAOYSA-N 2 1 191.278 1.478 10 0 ADAEMP CC[N@@H+](Cc1c[nH+]ccc1N)C1CC1 1209726606 762322410 /nfs/dbraw/zinc/32/24/10/762322410.db2.gz HKKSOWULHURTEI-UHFFFAOYSA-N 2 1 191.278 1.478 10 0 ADAEMP C[C@@H]1CC[N@H+](Cc2c[nH+]ccc2N)C1 1209730602 762322704 /nfs/dbraw/zinc/32/27/04/762322704.db2.gz ZJBHJNZBAPAANR-SECBINFHSA-N 2 1 191.278 1.336 10 0 ADAEMP C[C@@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C1 1209730602 762322708 /nfs/dbraw/zinc/32/27/08/762322708.db2.gz ZJBHJNZBAPAANR-SECBINFHSA-N 2 1 191.278 1.336 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1Cc1c[nH+]ccc1N 1209728767 762323496 /nfs/dbraw/zinc/32/34/96/762323496.db2.gz VDNDFALWRORUJX-SECBINFHSA-N 2 1 191.278 1.478 10 0 ADAEMP C[C@@H]1CCC[N@H+]1Cc1c[nH+]ccc1N 1209728767 762323499 /nfs/dbraw/zinc/32/34/99/762323499.db2.gz VDNDFALWRORUJX-SECBINFHSA-N 2 1 191.278 1.478 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@H]2CCC[C@@H]2C1 1235226092 764592348 /nfs/dbraw/zinc/59/23/48/764592348.db2.gz YCXFUGNNDIYAFY-VXGBXAGGSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCC[C@H]2C1 1235226091 764593521 /nfs/dbraw/zinc/59/35/21/764593521.db2.gz YCXFUGNNDIYAFY-RYUDHWBXSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 1235223150 764593729 /nfs/dbraw/zinc/59/37/29/764593729.db2.gz AVOFHLABMJCRHZ-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCC[C@@H]2C1 1235223150 764593735 /nfs/dbraw/zinc/59/37/35/764593735.db2.gz AVOFHLABMJCRHZ-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 1235223149 764594050 /nfs/dbraw/zinc/59/40/50/764594050.db2.gz AVOFHLABMJCRHZ-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1235223149 764594052 /nfs/dbraw/zinc/59/40/52/764594052.db2.gz AVOFHLABMJCRHZ-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2CCC[C@H]2C1 1235223146 764595469 /nfs/dbraw/zinc/59/54/69/764595469.db2.gz AVOFHLABMJCRHZ-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCC[C@H]2C1 1235223146 764595475 /nfs/dbraw/zinc/59/54/75/764595475.db2.gz AVOFHLABMJCRHZ-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 1235223148 764595651 /nfs/dbraw/zinc/59/56/51/764595651.db2.gz AVOFHLABMJCRHZ-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCC[C@H]2C1 1235223148 764595658 /nfs/dbraw/zinc/59/56/58/764595658.db2.gz AVOFHLABMJCRHZ-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCC[C@@H]2C1 1235226090 764596416 /nfs/dbraw/zinc/59/64/16/764596416.db2.gz YCXFUGNNDIYAFY-NWDGAFQWSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@H]2CCC[C@H]2C1 1235226089 764596676 /nfs/dbraw/zinc/59/66/76/764596676.db2.gz YCXFUGNNDIYAFY-NEPJUHHUSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@@H]1CF 1237147892 764677645 /nfs/dbraw/zinc/67/76/45/764677645.db2.gz YXXOWWBMSRDRDV-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 1246223803 765215615 /nfs/dbraw/zinc/21/56/15/765215615.db2.gz VFKINJBQGAJDKX-IRCOFANPSA-N 2 1 194.322 1.517 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 1246223806 765220271 /nfs/dbraw/zinc/22/02/71/765220271.db2.gz VFKINJBQGAJDKX-WHOHXGKFSA-N 2 1 194.322 1.517 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 1246588891 765301183 /nfs/dbraw/zinc/30/11/83/765301183.db2.gz BGQRFNRNYXFUIB-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 1246588892 765303248 /nfs/dbraw/zinc/30/32/48/765303248.db2.gz BGQRFNRNYXFUIB-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[C@H]([N@@H+]2CCC[C@H]2C)C[NH2+]1 1246770250 765314037 /nfs/dbraw/zinc/31/40/37/765314037.db2.gz OSMBXWSSGHOJEN-AXFHLTTASA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H](F)C2)CC[NH2+]1 1246782951 765315424 /nfs/dbraw/zinc/31/54/24/765315424.db2.gz YBEXKBHVLPRJCQ-AEJSXWLSSA-N 2 1 186.274 1.171 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](F)C2)CC[NH2+]1 1246782951 765315432 /nfs/dbraw/zinc/31/54/32/765315432.db2.gz YBEXKBHVLPRJCQ-AEJSXWLSSA-N 2 1 186.274 1.171 10 0 ADAEMP C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C)C[NH2+]1 1246770251 765316183 /nfs/dbraw/zinc/31/61/83/765316183.db2.gz OSMBXWSSGHOJEN-HBNTYKKESA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H](F)C2)CC[NH2+]1 1246782952 765316233 /nfs/dbraw/zinc/31/62/33/765316233.db2.gz YBEXKBHVLPRJCQ-IVZWLZJFSA-N 2 1 186.274 1.171 10 0 ADAEMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](F)C2)CC[NH2+]1 1246782952 765316240 /nfs/dbraw/zinc/31/62/40/765316240.db2.gz YBEXKBHVLPRJCQ-IVZWLZJFSA-N 2 1 186.274 1.171 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+]2CCC[C@H]2C)CC[NH2+]1 1246768679 765316482 /nfs/dbraw/zinc/31/64/82/765316482.db2.gz GEIFMYVVRNYQAS-AXFHLTTASA-N 2 1 182.311 1.611 10 0 ADAEMP FC[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 1246983935 765346309 /nfs/dbraw/zinc/34/63/09/765346309.db2.gz DLGRSBXZIMPGTM-SNVBAGLBSA-N 2 1 186.274 1.172 10 0 ADAEMP FC[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 1246983935 765346315 /nfs/dbraw/zinc/34/63/15/765346315.db2.gz DLGRSBXZIMPGTM-SNVBAGLBSA-N 2 1 186.274 1.172 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CCCC[NH3+] 19276709 1169057252 /nfs/dbraw/zinc/05/72/52/1169057252.db2.gz CLHNVBRCQXWHLZ-PHIMTYICSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 37109515 1169075338 /nfs/dbraw/zinc/07/53/38/1169075338.db2.gz ZZFYFRYVCUOLND-IUCAKERBSA-N 2 1 158.289 1.312 10 0 ADAEMP CCCCC[N@@H+](C)CCCC[NH3+] 37164763 1169075691 /nfs/dbraw/zinc/07/56/91/1169075691.db2.gz DHUGYHAXOSMMGQ-UHFFFAOYSA-N 2 1 172.316 1.847 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 37109514 1169076564 /nfs/dbraw/zinc/07/65/64/1169076564.db2.gz ZZFYFRYVCUOLND-DTWKUNHWSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)CC1CC1 37925739 1169078105 /nfs/dbraw/zinc/07/81/05/1169078105.db2.gz MURPWTJAXCVJPV-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CCCC[NH3+] 37913201 1169079163 /nfs/dbraw/zinc/07/91/63/1169079163.db2.gz XBQRJAIWEJIHPQ-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CC1CC1 37925073 1169080062 /nfs/dbraw/zinc/08/00/62/1169080062.db2.gz UGWMUIGBXFDZTQ-UHFFFAOYSA-N 2 1 156.273 1.067 10 0 ADAEMP CC[NH2+]C[C@H]([NH3+])Cc1ccccc1 40409222 1169087848 /nfs/dbraw/zinc/08/78/48/1169087848.db2.gz AMLMHYRVRAQEQT-LLVKDONJSA-N 2 1 178.279 1.166 10 0 ADAEMP CCCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 50889000 1169093058 /nfs/dbraw/zinc/09/30/58/1169093058.db2.gz MLQNCQUPYZSLBV-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 50889000 1169093049 /nfs/dbraw/zinc/09/30/49/1169093049.db2.gz MLQNCQUPYZSLBV-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CC1CCC1 61454894 1169098299 /nfs/dbraw/zinc/09/82/99/1169098299.db2.gz VGTRNWXGYRZPSZ-UHFFFAOYSA-N 2 1 170.300 1.457 10 0 ADAEMP C[N@@H+](CC1CCC1)CC1CC[NH2+]CC1 61458201 1169099252 /nfs/dbraw/zinc/09/92/52/1169099252.db2.gz LJAXUIJWILLYNK-UHFFFAOYSA-N 2 1 196.338 1.718 10 0 ADAEMP CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 81216350 1169107761 /nfs/dbraw/zinc/10/77/61/1169107761.db2.gz OGIQZLBPKRNYDK-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 82269899 1169109287 /nfs/dbraw/zinc/10/92/87/1169109287.db2.gz VTCYRPUIIZCTCF-SNVBAGLBSA-N 2 1 168.284 1.176 10 0 ADAEMP CC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 82269899 1169109292 /nfs/dbraw/zinc/10/92/92/1169109292.db2.gz VTCYRPUIIZCTCF-SNVBAGLBSA-N 2 1 168.284 1.176 10 0 ADAEMP CC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 82269899 1169109296 /nfs/dbraw/zinc/10/92/96/1169109296.db2.gz VTCYRPUIIZCTCF-SNVBAGLBSA-N 2 1 168.284 1.176 10 0 ADAEMP CC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 82269899 1169109301 /nfs/dbraw/zinc/10/93/01/1169109301.db2.gz VTCYRPUIIZCTCF-SNVBAGLBSA-N 2 1 168.284 1.176 10 0 ADAEMP CCC[N@H+]1CCC[C@H]([NH3+])CC1 83421200 1169111984 /nfs/dbraw/zinc/11/19/84/1169111984.db2.gz DYYYBVFLTRHINY-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]([NH3+])CC1 83421212 1169112211 /nfs/dbraw/zinc/11/22/11/1169112211.db2.gz DYYYBVFLTRHINY-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CC(C)(C)[NH2+][C@@H]1CCC[NH2+]C1 84427169 1169119029 /nfs/dbraw/zinc/11/90/29/1169119029.db2.gz KCLSICOSTLDGAL-MRVPVSSYSA-N 2 1 156.273 1.127 10 0 ADAEMP CC(C)(C)[NH2+][C@H]1CCC[NH2+]C1 84427170 1169119262 /nfs/dbraw/zinc/11/92/62/1169119262.db2.gz KCLSICOSTLDGAL-QMMMGPOBSA-N 2 1 156.273 1.127 10 0 ADAEMP C[N@@H+](C1CC[NH2+]CC1)C(C)(C)C 84443052 1169119828 /nfs/dbraw/zinc/11/98/28/1169119828.db2.gz ZBCAUCJDRMMZEV-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP CC1(C)CC[N@@H+](CCCC[NH3+])C1 87232789 1169123790 /nfs/dbraw/zinc/12/37/90/1169123790.db2.gz YXDMFDZPPWSXCI-UHFFFAOYSA-N 2 1 170.300 1.457 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233998429 673913949 /nfs/dbraw/zinc/91/39/49/673913949.db2.gz WJUWSSQMBHNWGT-TUAOUCFPSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1ccccc1 757216884 673917315 /nfs/dbraw/zinc/91/73/15/673917315.db2.gz QZWUQEVCOLLPKN-USWWRNFRSA-N 2 1 190.290 1.684 10 0 ADAEMP Nc1cccc([C@@H]2CC[C@H]([NH3+])C[NH2+]2)c1 757214290 673917387 /nfs/dbraw/zinc/91/73/87/673917387.db2.gz LVMDJJLPSIEREU-QWRGUYRKSA-N 2 1 191.278 1.021 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1ccccc1 757216883 673917503 /nfs/dbraw/zinc/91/75/03/673917503.db2.gz QZWUQEVCOLLPKN-JLLWLGSASA-N 2 1 190.290 1.684 10 0 ADAEMP Nc1cccc([C@H]2CC[C@H]([NH3+])C[NH2+]2)c1 757214291 673917605 /nfs/dbraw/zinc/91/76/05/673917605.db2.gz LVMDJJLPSIEREU-WDEREUQCSA-N 2 1 191.278 1.021 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1ccccc1 757216882 673917677 /nfs/dbraw/zinc/91/76/77/673917677.db2.gz QZWUQEVCOLLPKN-ADEWGFFLSA-N 2 1 190.290 1.684 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1ccccc1 757216885 673917699 /nfs/dbraw/zinc/91/76/99/673917699.db2.gz QZWUQEVCOLLPKN-YUSALJHKSA-N 2 1 190.290 1.684 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1CCC2(CC1)CC2 107782893 1169142476 /nfs/dbraw/zinc/14/24/76/1169142476.db2.gz DVYMWVAGOXFKDU-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP Cc1c[nH+]c(CC[NH3+])n1C1CCCC1 107358101 1169143067 /nfs/dbraw/zinc/14/30/67/1169143067.db2.gz VXMCTXXPCASOSG-UHFFFAOYSA-N 2 1 193.294 1.808 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]1C[NH3+] 723074059 673923651 /nfs/dbraw/zinc/92/36/51/673923651.db2.gz PLJCUBDCBJYKLR-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1C[NH3+] 723074059 673923653 /nfs/dbraw/zinc/92/36/53/673923653.db2.gz PLJCUBDCBJYKLR-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]([NH3+])C[NH+]1CCC2(CC1)CC2 107782895 1169144531 /nfs/dbraw/zinc/14/45/31/1169144531.db2.gz DVYMWVAGOXFKDU-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 723115864 673924489 /nfs/dbraw/zinc/92/44/89/673924489.db2.gz PRZYOEJDVGGRNA-VLEAKVRGSA-N 2 1 182.311 1.312 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 723115866 673924528 /nfs/dbraw/zinc/92/45/28/673924528.db2.gz PRZYOEJDVGGRNA-ZNSHCXBVSA-N 2 1 182.311 1.312 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 723115868 673924538 /nfs/dbraw/zinc/92/45/38/673924538.db2.gz PRZYOEJDVGGRNA-ZRUFSTJUSA-N 2 1 182.311 1.312 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723471647 673928294 /nfs/dbraw/zinc/92/82/94/673928294.db2.gz CWUSSRAGFGDHQF-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH+]1CCC(C[N@H+](C)C2CC2)CC1 891619652 673933091 /nfs/dbraw/zinc/93/30/91/673933091.db2.gz GZHSSNJBAPYGJZ-UHFFFAOYSA-N 2 1 182.311 1.422 10 0 ADAEMP C1=CCC(CC[NH2+][C@H]2CC[NH2+]C2)C1 724177648 673934601 /nfs/dbraw/zinc/93/46/01/673934601.db2.gz AVMLLCNAZGQXHH-NSHDSACASA-N 2 1 180.295 1.294 10 0 ADAEMP C1=CCC(CC[NH2+][C@@H]2CC[NH2+]C2)C1 724177645 673934795 /nfs/dbraw/zinc/93/47/95/673934795.db2.gz AVMLLCNAZGQXHH-LLVKDONJSA-N 2 1 180.295 1.294 10 0 ADAEMP C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 117004906 1169158060 /nfs/dbraw/zinc/15/80/60/1169158060.db2.gz BJMLGOMCQSZVMY-UHFFFAOYSA-N 2 1 182.311 1.424 10 0 ADAEMP C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 117004869 1169158294 /nfs/dbraw/zinc/15/82/94/1169158294.db2.gz YYYIUYFDEQDOAD-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP C[NH+]1CC[C@]2(CCC[N@H+](C)C2)C1 117004869 1169158296 /nfs/dbraw/zinc/15/82/96/1169158296.db2.gz YYYIUYFDEQDOAD-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP C[NH+]1CC[C@]2(CCC[N@@H+](C)C2)C1 117004869 1169158298 /nfs/dbraw/zinc/15/82/98/1169158298.db2.gz YYYIUYFDEQDOAD-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP C[NH+]1CCCC2(CCC[N@H+](C)C2)C1 117005258 1169159351 /nfs/dbraw/zinc/15/93/51/1169159351.db2.gz IQVSDUVAXLEVFU-UHFFFAOYSA-N 2 1 182.311 1.424 10 0 ADAEMP C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 117004871 1169159484 /nfs/dbraw/zinc/15/94/84/1169159484.db2.gz YYYIUYFDEQDOAD-SNVBAGLBSA-N 2 1 168.284 1.034 10 0 ADAEMP C[NH+]1CC[C@@]2(CCC[N@H+](C)C2)C1 117004871 1169159488 /nfs/dbraw/zinc/15/94/88/1169159488.db2.gz YYYIUYFDEQDOAD-SNVBAGLBSA-N 2 1 168.284 1.034 10 0 ADAEMP C[NH+]1CC[C@@]2(CCC[N@@H+](C)C2)C1 117004871 1169159492 /nfs/dbraw/zinc/15/94/92/1169159492.db2.gz YYYIUYFDEQDOAD-SNVBAGLBSA-N 2 1 168.284 1.034 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 925686448 673947171 /nfs/dbraw/zinc/94/71/71/673947171.db2.gz UILTXCKKXIXUCQ-ZJUUUORDSA-N 2 1 194.322 1.659 10 0 ADAEMP CCCCC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278438 673947275 /nfs/dbraw/zinc/94/72/75/673947275.db2.gz DCSGAFCQJWKHHK-GDNZZTSVSA-N 2 1 196.338 1.668 10 0 ADAEMP CCCCC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278438 673947276 /nfs/dbraw/zinc/94/72/76/673947276.db2.gz DCSGAFCQJWKHHK-GDNZZTSVSA-N 2 1 196.338 1.668 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C1(C)C 925686364 673947568 /nfs/dbraw/zinc/94/75/68/673947568.db2.gz SFGRZBUQCCDEGA-IUCAKERBSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)CCCC(F)(F)F 124260228 1169167302 /nfs/dbraw/zinc/16/73/02/1169167302.db2.gz JMPDGSVPYAGWHI-ZETCQYMHSA-N 2 1 198.232 1.608 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1(C)C 925686363 673947736 /nfs/dbraw/zinc/94/77/36/673947736.db2.gz SFGRZBUQCCDEGA-BDAKNGLRSA-N 2 1 182.311 1.515 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 925686447 673947746 /nfs/dbraw/zinc/94/77/46/673947746.db2.gz UILTXCKKXIXUCQ-UWVGGRQHSA-N 2 1 194.322 1.659 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 723105638 673949142 /nfs/dbraw/zinc/94/91/42/673949142.db2.gz GLWPFGHAQWEREI-VWYCJHECSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 723105638 673949145 /nfs/dbraw/zinc/94/91/45/673949145.db2.gz GLWPFGHAQWEREI-VWYCJHECSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C1CC([NH2+][C@@H]2C[NH2+]C[C@H]2C)C1 925782770 673950878 /nfs/dbraw/zinc/95/08/78/673950878.db2.gz HQEWZZWMWDKQDO-HBIQZDMRSA-N 2 1 196.338 1.619 10 0 ADAEMP CC[N@@H+](C)CC1CC[NH+](C)CC1 259007676 673954422 /nfs/dbraw/zinc/95/44/22/673954422.db2.gz FXRNTBUEBRJJNU-UHFFFAOYSA-N 2 1 170.300 1.280 10 0 ADAEMP CC1(C)CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 128737435 1169177393 /nfs/dbraw/zinc/17/73/93/1169177393.db2.gz RGYDNFRCXXVPEO-VIFPVBQESA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 128647240 1169177453 /nfs/dbraw/zinc/17/74/53/1169177453.db2.gz BEZIUQGBNNBRHG-RKDXNWHRSA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 128868555 1169177878 /nfs/dbraw/zinc/17/78/78/1169177878.db2.gz XMCDUBXERYSHNR-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 128647471 1169178508 /nfs/dbraw/zinc/17/85/08/1169178508.db2.gz BEZIUQGBNNBRHG-DTWKUNHWSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 128646758 1169178696 /nfs/dbraw/zinc/17/86/96/1169178696.db2.gz BEZIUQGBNNBRHG-BDAKNGLRSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C(C)(C)C[NH3+])C1 128647020 1169179000 /nfs/dbraw/zinc/17/90/00/1169179000.db2.gz BEZIUQGBNNBRHG-IUCAKERBSA-N 2 1 170.300 1.502 10 0 ADAEMP CC1(C)CC[C@@H]([NH2+]C(C)(C)C[NH3+])C1 128737688 1169179315 /nfs/dbraw/zinc/17/93/15/1169179315.db2.gz RGYDNFRCXXVPEO-SECBINFHSA-N 2 1 184.327 1.892 10 0 ADAEMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCCCCC1 129774065 1169180968 /nfs/dbraw/zinc/18/09/68/1169180968.db2.gz SKINZBSTGPLBFD-NXEZZACHSA-N 2 1 168.284 1.398 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC[C@H]1C 130843377 1169182276 /nfs/dbraw/zinc/18/22/76/1169182276.db2.gz OTSJBYNORMRUEK-KXNHARMFSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CC[C@H]1C 130843377 1169182279 /nfs/dbraw/zinc/18/22/79/1169182279.db2.gz OTSJBYNORMRUEK-KXNHARMFSA-N 2 1 196.338 1.844 10 0 ADAEMP c1cc(C[NH2+]C2CC[NH2+]CC2)co1 130629338 1169182405 /nfs/dbraw/zinc/18/24/05/1169182405.db2.gz BIHIGHGNFWHTFK-UHFFFAOYSA-N 2 1 180.251 1.121 10 0 ADAEMP CC[C@H](C)n1c[nH+]cc1CC[NH3+] 131180561 1169182418 /nfs/dbraw/zinc/18/24/18/1169182418.db2.gz MBISUEWXVIDYTO-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP CCC[C@@H](C)n1c[nH+]cc1CC[NH3+] 131164321 1169182675 /nfs/dbraw/zinc/18/26/75/1169182675.db2.gz OTAQNGSMCACIQF-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCCCC1 129775455 1169182707 /nfs/dbraw/zinc/18/27/07/1169182707.db2.gz PIBDJJFFBUXMQQ-RKDXNWHRSA-N 2 1 154.257 1.008 10 0 ADAEMP CCC[C@H](C)n1c[nH+]cc1CC[NH3+] 131164540 1169183450 /nfs/dbraw/zinc/18/34/50/1169183450.db2.gz OTAQNGSMCACIQF-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP C[C@H](CC1CC1)n1c[nH+]cc1CC[NH3+] 131389132 1169185062 /nfs/dbraw/zinc/18/50/62/1169185062.db2.gz ZGQZFQXHVMVSKM-SECBINFHSA-N 2 1 193.294 1.745 10 0 ADAEMP C[C@@H](CC1CC1)n1c[nH+]cc1CC[NH3+] 131388887 1169185293 /nfs/dbraw/zinc/18/52/93/1169185293.db2.gz ZGQZFQXHVMVSKM-VIFPVBQESA-N 2 1 193.294 1.745 10 0 ADAEMP C[C@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C1 131527476 1169185434 /nfs/dbraw/zinc/18/54/34/1169185434.db2.gz VTUWGQMMTFBHDN-UWVGGRQHSA-N 2 1 193.294 1.745 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 132025282 1169185792 /nfs/dbraw/zinc/18/57/92/1169185792.db2.gz PZIHDBNNTAFMSN-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 132025282 1169185799 /nfs/dbraw/zinc/18/57/99/1169185799.db2.gz PZIHDBNNTAFMSN-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1CC[C@H](n2c[nH+]cc2CC[NH3+])C1 131527264 1169185999 /nfs/dbraw/zinc/18/59/99/1169185999.db2.gz VTUWGQMMTFBHDN-ZJUUUORDSA-N 2 1 193.294 1.745 10 0 ADAEMP C[C@@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C1 131527690 1169186024 /nfs/dbraw/zinc/18/60/24/1169186024.db2.gz VTUWGQMMTFBHDN-NXEZZACHSA-N 2 1 193.294 1.745 10 0 ADAEMP CCC(CC)n1c[nH+]cc1CC[NH3+] 131200838 1169186185 /nfs/dbraw/zinc/18/61/85/1169186185.db2.gz UCROYVLKJRUPFB-UHFFFAOYSA-N 2 1 181.283 1.745 10 0 ADAEMP C[C@H]1CC[C@@H](n2c[nH+]cc2CC[NH3+])C1 131527857 1169186775 /nfs/dbraw/zinc/18/67/75/1169186775.db2.gz VTUWGQMMTFBHDN-VHSXEESVSA-N 2 1 193.294 1.745 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 132025701 1169186820 /nfs/dbraw/zinc/18/68/20/1169186820.db2.gz PZIHDBNNTAFMSN-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 132025701 1169186823 /nfs/dbraw/zinc/18/68/23/1169186823.db2.gz PZIHDBNNTAFMSN-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227767351 673969896 /nfs/dbraw/zinc/96/98/96/673969896.db2.gz BEAVIJPJILEVAA-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)CC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227768848 673970055 /nfs/dbraw/zinc/97/00/55/673970055.db2.gz WACDQGWGKYNDGM-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227767695 673970124 /nfs/dbraw/zinc/97/01/24/673970124.db2.gz NMXRXSXCEXDCIJ-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 227767699 673970183 /nfs/dbraw/zinc/97/01/83/673970183.db2.gz NMXRXSXCEXDCIJ-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227766119 673970265 /nfs/dbraw/zinc/97/02/65/673970265.db2.gz ITMKRUAOTHZBEU-SRVKXCTJSA-N 2 1 198.354 1.949 10 0 ADAEMP CSCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C1 228875276 673971051 /nfs/dbraw/zinc/97/10/51/673971051.db2.gz DTCSNHHNKJWZOY-DTWKUNHWSA-N 2 1 188.340 1.080 10 0 ADAEMP CSCC[C@H](C)[NH2+][C@H]1CC[NH2+]C1 228875300 673971076 /nfs/dbraw/zinc/97/10/76/673971076.db2.gz DTCSNHHNKJWZOY-IUCAKERBSA-N 2 1 188.340 1.080 10 0 ADAEMP CSCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C1 228875289 673971094 /nfs/dbraw/zinc/97/10/94/673971094.db2.gz DTCSNHHNKJWZOY-BDAKNGLRSA-N 2 1 188.340 1.080 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 84443081 673975931 /nfs/dbraw/zinc/97/59/31/673975931.db2.gz JSSMCKCFSCYVCS-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 84443083 673975998 /nfs/dbraw/zinc/97/59/98/673975998.db2.gz JSSMCKCFSCYVCS-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702097271 673979121 /nfs/dbraw/zinc/97/91/21/673979121.db2.gz KMWPUMUSKVQTEP-NWDGAFQWSA-N 2 1 196.338 1.574 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702097745 673979181 /nfs/dbraw/zinc/97/91/81/673979181.db2.gz ZWXZZBNKMQXNPV-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702096726 673979271 /nfs/dbraw/zinc/97/92/71/673979271.db2.gz FBMOYMGRJXQGSY-SDDRHHMPSA-N 2 1 196.338 1.574 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 702092519 673979305 /nfs/dbraw/zinc/97/93/05/673979305.db2.gz JKAPVUAJGKDQAF-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1CCC1)C2 702097969 673979387 /nfs/dbraw/zinc/97/93/87/673979387.db2.gz XDQHCBHBTJPAJD-NWDGAFQWSA-N 2 1 194.322 1.328 10 0 ADAEMP CC[N@H+](C)C1CC[NH+](C)CC1 139689534 1169200447 /nfs/dbraw/zinc/20/04/47/1169200447.db2.gz GRSHYEFHVZIEAO-UHFFFAOYSA-N 2 1 156.273 1.032 10 0 ADAEMP CC[N@@H+](C)C1CC[NH+](C)CC1 139689534 1169200456 /nfs/dbraw/zinc/20/04/56/1169200456.db2.gz GRSHYEFHVZIEAO-UHFFFAOYSA-N 2 1 156.273 1.032 10 0 ADAEMP C[C@H](F)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C 702643503 673980873 /nfs/dbraw/zinc/98/08/73/673980873.db2.gz DFCRPWZCVYDVLJ-AEJSXWLSSA-N 2 1 188.290 1.465 10 0 ADAEMP C[C@H](F)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C 702643508 673980979 /nfs/dbraw/zinc/98/09/79/673980979.db2.gz DFCRPWZCVYDVLJ-LPEHRKFASA-N 2 1 188.290 1.465 10 0 ADAEMP C[C@H](F)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 702643507 673981013 /nfs/dbraw/zinc/98/10/13/673981013.db2.gz DFCRPWZCVYDVLJ-IVZWLZJFSA-N 2 1 188.290 1.465 10 0 ADAEMP C[C@H](F)CC[NH2+][C@H]1CCC[NH2+][C@H]1C 702643505 673981288 /nfs/dbraw/zinc/98/12/88/673981288.db2.gz DFCRPWZCVYDVLJ-GUBZILKMSA-N 2 1 188.290 1.465 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3CCC[C@H]3C2)C1 703616666 673983151 /nfs/dbraw/zinc/98/31/51/673983151.db2.gz PPBKTXXJDMDZRU-HUVAQWKNSA-N 2 1 194.322 1.456 10 0 ADAEMP C[C@@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 703295045 673982492 /nfs/dbraw/zinc/98/24/92/673982492.db2.gz ZRHDNVPYDHTXQR-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CCCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 703295042 673982587 /nfs/dbraw/zinc/98/25/87/673982587.db2.gz ZRHDNVPYDHTXQR-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 703584083 673983029 /nfs/dbraw/zinc/98/30/29/673983029.db2.gz PMETWASRXIDVDF-WISYIIOYSA-N 2 1 194.322 1.184 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 703617688 673983083 /nfs/dbraw/zinc/98/30/83/673983083.db2.gz VYPKRYNENLRGEV-BKUVIOGVSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[N@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 703588388 673983209 /nfs/dbraw/zinc/98/32/09/673983209.db2.gz PESMSLOTRNMRHF-OCAPTIKFSA-N 2 1 192.253 1.311 10 0 ADAEMP CC[N@@H+](CC(F)F)C[C@H]1C[C@@H]([NH3+])C1 703588388 673983211 /nfs/dbraw/zinc/98/32/11/673983211.db2.gz PESMSLOTRNMRHF-OCAPTIKFSA-N 2 1 192.253 1.311 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@H]1C[C@@H]([NH3+])C1 703439259 673983492 /nfs/dbraw/zinc/98/34/92/673983492.db2.gz RXEHANBMRQBTCI-AOOOYVTPSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 706869316 673987908 /nfs/dbraw/zinc/98/79/08/673987908.db2.gz HDLYPMQMWZHOHT-AOOOYVTPSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CCC1 706864785 673988105 /nfs/dbraw/zinc/98/81/05/673988105.db2.gz MEURLGCYKINVTK-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCF)C2 709821577 673993879 /nfs/dbraw/zinc/99/38/79/673993879.db2.gz XMBHTGOSRJARQX-AEJSXWLSSA-N 2 1 186.274 1.158 10 0 ADAEMP C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1C[NH3+] 708871023 673991597 /nfs/dbraw/zinc/99/15/97/673991597.db2.gz NQZBTUXIUOHYLE-HVSMVGKISA-N 2 1 188.702 1.266 10 0 ADAEMP C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1C[NH3+] 708871012 673992457 /nfs/dbraw/zinc/99/24/57/673992457.db2.gz NQZBTUXIUOHYLE-ALCGYSGWSA-N 2 1 188.702 1.266 10 0 ADAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2 709820236 673993719 /nfs/dbraw/zinc/99/37/19/673993719.db2.gz RODYOZWHGLOQJU-DCAQKATOSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCF)C2 709821579 673993762 /nfs/dbraw/zinc/99/37/62/673993762.db2.gz XMBHTGOSRJARQX-GUBZILKMSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2 709820231 673993921 /nfs/dbraw/zinc/99/39/21/673993921.db2.gz RODYOZWHGLOQJU-AXFHLTTASA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 709819366 673994139 /nfs/dbraw/zinc/99/41/39/673994139.db2.gz OVWSRYKMFBKOIT-SRVKXCTJSA-N 2 1 194.322 1.598 10 0 ADAEMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 709819369 673994233 /nfs/dbraw/zinc/99/42/33/673994233.db2.gz OVWSRYKMFBKOIT-TUAOUCFPSA-N 2 1 194.322 1.598 10 0 ADAEMP CCC[N@@H+](C)C1CCN(C)CC1 143351544 1169213776 /nfs/dbraw/zinc/21/37/76/1169213776.db2.gz QKUUBSDWJMBQQY-UHFFFAOYSA-N 2 1 170.300 1.422 10 0 ADAEMP CCC[N@H+](C)C1CC[NH+](C)CC1 143351544 1169213783 /nfs/dbraw/zinc/21/37/83/1169213783.db2.gz QKUUBSDWJMBQQY-UHFFFAOYSA-N 2 1 170.300 1.422 10 0 ADAEMP CCC[N@@H+](C)C1CC[NH+](C)CC1 143351544 1169213793 /nfs/dbraw/zinc/21/37/93/1169213793.db2.gz QKUUBSDWJMBQQY-UHFFFAOYSA-N 2 1 170.300 1.422 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](CF)C2)C1 711413347 673999846 /nfs/dbraw/zinc/99/98/46/673999846.db2.gz DAOUHXCHQYFVEA-BBBLOLIVSA-N 2 1 186.274 1.015 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](CF)C2)C1 711413354 673999960 /nfs/dbraw/zinc/99/99/60/673999960.db2.gz DAOUHXCHQYFVEA-LPEHRKFASA-N 2 1 186.274 1.015 10 0 ADAEMP CC(C)C1CC([NH2+]CC2([NH3+])CC2)C1 714658401 674005628 /nfs/dbraw/zinc/00/56/28/674005628.db2.gz IBMLJCRDBADSCX-UHFFFAOYSA-N 2 1 182.311 1.502 10 0 ADAEMP C1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[NH2+]1 712005949 674004640 /nfs/dbraw/zinc/00/46/40/674004640.db2.gz TUIAKYDCSYVBSU-UTUOFQBUSA-N 2 1 194.322 1.374 10 0 ADAEMP C[N@@H+](CCC[NH3+])CC[C@@H]1C[C@H]1C1CC1 712000170 674004673 /nfs/dbraw/zinc/00/46/73/674004673.db2.gz DOMUSUJQIILCQG-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)CC[N@@H+](C)CCC[NH+](C)C 144387278 1169223247 /nfs/dbraw/zinc/22/32/47/1169223247.db2.gz UIBKFKUWFZEIAM-UHFFFAOYSA-N 2 1 186.343 1.916 10 0 ADAEMP C[NH+]1CCC(C[N@H+](C)C2CCC2)CC1 770509496 674008898 /nfs/dbraw/zinc/00/88/98/674008898.db2.gz BKXRDUZWKRFPBH-UHFFFAOYSA-N 2 1 196.338 1.813 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 713715249 674016494 /nfs/dbraw/zinc/01/64/94/674016494.db2.gz DDJZQPSGSSNAPG-NRFYAWERSA-N 2 1 180.295 1.398 10 0 ADAEMP C[N@@H+](CCC[NH3+])CCCC(C)(F)F 713967343 674016996 /nfs/dbraw/zinc/01/69/96/674016996.db2.gz ILQFTDPAQMMSND-UHFFFAOYSA-N 2 1 194.269 1.702 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 713715254 674016446 /nfs/dbraw/zinc/01/64/46/674016446.db2.gz DDJZQPSGSSNAPG-XXJOZFEBSA-N 2 1 180.295 1.398 10 0 ADAEMP C=C/C=C/CC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 713715244 674016451 /nfs/dbraw/zinc/01/64/51/674016451.db2.gz DDJZQPSGSSNAPG-NNOMMRTBSA-N 2 1 180.295 1.398 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 712683324 674011901 /nfs/dbraw/zinc/01/19/01/674011901.db2.gz GOLSMAYMBHCIRD-UTUOFQBUSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 712683324 674011904 /nfs/dbraw/zinc/01/19/04/674011904.db2.gz GOLSMAYMBHCIRD-UTUOFQBUSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 712690993 674011932 /nfs/dbraw/zinc/01/19/32/674011932.db2.gz GOLSMAYMBHCIRD-WOPDTQHZSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 712690993 674011934 /nfs/dbraw/zinc/01/19/34/674011934.db2.gz GOLSMAYMBHCIRD-WOPDTQHZSA-N 2 1 194.322 1.456 10 0 ADAEMP C=C/C=C/CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 713758117 674016977 /nfs/dbraw/zinc/01/69/77/674016977.db2.gz PBNAOBZKKNDDAF-RUULKOMLSA-N 2 1 194.322 1.645 10 0 ADAEMP C1CC2(C1)CC[NH2+]CC[N@@H+]2CC1CC1 713152587 674013315 /nfs/dbraw/zinc/01/33/15/674013315.db2.gz WYWRXCRWDWUMQI-UHFFFAOYSA-N 2 1 194.322 1.614 10 0 ADAEMP CCC[N@H+]1CC[NH2+]CCC12CCC2 713150917 674013578 /nfs/dbraw/zinc/01/35/78/674013578.db2.gz PWDHHVNXMUARPR-UHFFFAOYSA-N 2 1 182.311 1.614 10 0 ADAEMP C=C/C=C\CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C1 713758112 674017023 /nfs/dbraw/zinc/01/70/23/674017023.db2.gz PBNAOBZKKNDDAF-DFPOMNKCSA-N 2 1 194.322 1.645 10 0 ADAEMP C=C/C=C/CC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 713715239 674015862 /nfs/dbraw/zinc/01/58/62/674015862.db2.gz DDJZQPSGSSNAPG-BXXZLRJFSA-N 2 1 180.295 1.398 10 0 ADAEMP C=C/C=C\CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 713717784 674015906 /nfs/dbraw/zinc/01/59/06/674015906.db2.gz QUEQZUOGZMBSSY-XXJOZFEBSA-N 2 1 180.295 1.540 10 0 ADAEMP C=C/C=C/CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 713717782 674016012 /nfs/dbraw/zinc/01/60/12/674016012.db2.gz QUEQZUOGZMBSSY-NNOMMRTBSA-N 2 1 180.295 1.540 10 0 ADAEMP C[N@H+](CC[NH3+])CCCC(C)(F)F 713963816 674016570 /nfs/dbraw/zinc/01/65/70/674016570.db2.gz RRZJPNQCGZEAEH-UHFFFAOYSA-N 2 1 180.242 1.312 10 0 ADAEMP C[N@@H+](CC[NH3+])CCCC(C)(F)F 713963816 674016574 /nfs/dbraw/zinc/01/65/74/674016574.db2.gz RRZJPNQCGZEAEH-UHFFFAOYSA-N 2 1 180.242 1.312 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 713758114 674016859 /nfs/dbraw/zinc/01/68/59/674016859.db2.gz PBNAOBZKKNDDAF-KBIXYVOKSA-N 2 1 194.322 1.645 10 0 ADAEMP C=C/C=C/CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C1 713758118 674016875 /nfs/dbraw/zinc/01/68/75/674016875.db2.gz PBNAOBZKKNDDAF-XMXMHJJKSA-N 2 1 194.322 1.645 10 0 ADAEMP CC(C)C1CC([NH2+][C@@H](C)C[NH3+])C1 714747538 674018875 /nfs/dbraw/zinc/01/88/75/674018875.db2.gz LXQUPXPIDVMCCR-IDKOKCKLSA-N 2 1 170.300 1.358 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 714908788 674018877 /nfs/dbraw/zinc/01/88/77/674018877.db2.gz VUBHZFWENQMEKX-JLLWLGSASA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 714842064 674018334 /nfs/dbraw/zinc/01/83/34/674018334.db2.gz VUBHZFWENQMEKX-WCQGTBRESA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC12CC2 715281913 674021054 /nfs/dbraw/zinc/02/10/54/674021054.db2.gz WVUMTQCBBVXJEO-IVZWLZJFSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC12CC2 715281905 674021136 /nfs/dbraw/zinc/02/11/36/674021136.db2.gz WVUMTQCBBVXJEO-AEJSXWLSSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC12CC2 715281908 674021495 /nfs/dbraw/zinc/02/14/95/674021495.db2.gz WVUMTQCBBVXJEO-GUBZILKMSA-N 2 1 180.295 1.269 10 0 ADAEMP C(CCC1CC1)C[NH2+][C@@H]1CC[NH2+]C1 716399309 674024709 /nfs/dbraw/zinc/02/47/09/674024709.db2.gz SFQXZDCOIXTCCE-LLVKDONJSA-N 2 1 182.311 1.518 10 0 ADAEMP C(CCC1CC1)C[NH2+][C@H]1CC[NH2+]C1 716399312 674024770 /nfs/dbraw/zinc/02/47/70/674024770.db2.gz SFQXZDCOIXTCCE-NSHDSACASA-N 2 1 182.311 1.518 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 716486007 674025337 /nfs/dbraw/zinc/02/53/37/674025337.db2.gz OQTQRAYNXPSMED-LDMBFOFVSA-N 2 1 194.322 1.230 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 716486009 674025469 /nfs/dbraw/zinc/02/54/69/674025469.db2.gz OQTQRAYNXPSMED-PZWNZHSQSA-N 2 1 194.322 1.230 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@H]1CC[NH2+]C1 716486011 674025565 /nfs/dbraw/zinc/02/55/65/674025565.db2.gz OQTQRAYNXPSMED-WTPMCQDGSA-N 2 1 194.322 1.230 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 716486002 674025611 /nfs/dbraw/zinc/02/56/11/674025611.db2.gz OQTQRAYNXPSMED-CSYMLDBXSA-N 2 1 194.322 1.230 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCCF 716747832 674026027 /nfs/dbraw/zinc/02/60/27/674026027.db2.gz MYRQCETZPZGBPO-SNVBAGLBSA-N 2 1 190.306 1.651 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCCF 716747832 674026028 /nfs/dbraw/zinc/02/60/28/674026028.db2.gz MYRQCETZPZGBPO-SNVBAGLBSA-N 2 1 190.306 1.651 10 0 ADAEMP C[N@@H+](CCCF)CCC[NH2+]C1CC1 716757859 674026145 /nfs/dbraw/zinc/02/61/45/674026145.db2.gz ZAVCNWQQBITJSJ-UHFFFAOYSA-N 2 1 188.290 1.420 10 0 ADAEMP C[N@@H+](CCCF)C[C@]1(C)CC[NH2+]C1 716778594 674026186 /nfs/dbraw/zinc/02/61/86/674026186.db2.gz HRQMOHVPZIBNSO-SNVBAGLBSA-N 2 1 188.290 1.277 10 0 ADAEMP [NH3+][C@@H]1C[NH2+]C[C@H](c2ccsc2)C1 757209887 674027150 /nfs/dbraw/zinc/02/71/50/674027150.db2.gz DLZIEPFNNFBEQZ-BDAKNGLRSA-N 2 1 182.292 1.152 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H](c2cccs2)C[NH2+]1 757208775 674027491 /nfs/dbraw/zinc/02/74/91/674027491.db2.gz BEURUQTXYFOEIC-BDAKNGLRSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@@H]1C[C@H](c2cccs2)CC[NH2+]1 757210269 674027264 /nfs/dbraw/zinc/02/72/64/674027264.db2.gz FDJXEUQTFYBFOE-BDAKNGLRSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+][C@H]1C[NH2+]C[C@@H](c2ccsc2)C1 757209890 674027290 /nfs/dbraw/zinc/02/72/90/674027290.db2.gz DLZIEPFNNFBEQZ-DTWKUNHWSA-N 2 1 182.292 1.152 10 0 ADAEMP [NH3+][C@@H]1C[NH2+]C[C@@H](c2ccsc2)C1 757209891 674027306 /nfs/dbraw/zinc/02/73/06/674027306.db2.gz DLZIEPFNNFBEQZ-IUCAKERBSA-N 2 1 182.292 1.152 10 0 ADAEMP [NH3+]C[C@H]1CC[C@@H](c2cccs2)C[NH2+]1 757208780 674027373 /nfs/dbraw/zinc/02/73/73/674027373.db2.gz BEURUQTXYFOEIC-RKDXNWHRSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H](c2cccs2)C[NH2+]1 757208779 674027414 /nfs/dbraw/zinc/02/74/14/674027414.db2.gz BEURUQTXYFOEIC-IUCAKERBSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@H]1CC[C@H](c2cccs2)C[NH2+]1 757208776 674027431 /nfs/dbraw/zinc/02/74/31/674027431.db2.gz BEURUQTXYFOEIC-DTWKUNHWSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+][C@H]1C[NH2+]C[C@H](c2ccsc2)C1 757209929 674027467 /nfs/dbraw/zinc/02/74/67/674027467.db2.gz DLZIEPFNNFBEQZ-RKDXNWHRSA-N 2 1 182.292 1.152 10 0 ADAEMP CC(C)[NH+]1CCC([NH+]2CCC2)CC1 148933897 1169248633 /nfs/dbraw/zinc/24/86/33/1169248633.db2.gz XWRWESBERNYVEC-UHFFFAOYSA-N 2 1 182.311 1.565 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCCC2)CC1 149495821 1169250367 /nfs/dbraw/zinc/25/03/67/1169250367.db2.gz WESMSPFGERVXBD-UHFFFAOYSA-N 2 1 168.284 1.400 10 0 ADAEMP CSCCC[N@@H+]1CCC[C@@H]1C[NH3+] 149384614 1169251594 /nfs/dbraw/zinc/25/15/94/1169251594.db2.gz VZPRBKIIFJUJMF-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CSCCC[N@H+]1CCC[C@@H]1C[NH3+] 149384614 1169251605 /nfs/dbraw/zinc/25/16/05/1169251605.db2.gz VZPRBKIIFJUJMF-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CCC[N@H+]1C[C@@H]2C[NH+](CC)C[C@@H]2C1 149945564 1169253115 /nfs/dbraw/zinc/25/31/15/1169253115.db2.gz LRYQADKSTLWINM-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 149945564 1169253120 /nfs/dbraw/zinc/25/31/20/1169253120.db2.gz LRYQADKSTLWINM-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 149945564 1169253129 /nfs/dbraw/zinc/25/31/29/1169253129.db2.gz LRYQADKSTLWINM-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CSCC[N@@H+](C)C1CC[NH2+]CC1 157101221 1169258266 /nfs/dbraw/zinc/25/82/66/1169258266.db2.gz YEWUJIWIVMACAO-UHFFFAOYSA-N 2 1 188.340 1.033 10 0 ADAEMP CSCC[N@@H+](C)CCCC[NH3+] 157082383 1169258989 /nfs/dbraw/zinc/25/89/89/1169258989.db2.gz VCUGHYYMYFGXGO-UHFFFAOYSA-N 2 1 176.329 1.020 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]C2CC=CC2)CC1 160457181 1169259931 /nfs/dbraw/zinc/25/99/31/1169259931.db2.gz KOGRSCUFUJUDRT-LBPRGKRZSA-N 2 1 194.322 1.779 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 160362952 1169260097 /nfs/dbraw/zinc/26/00/97/1169260097.db2.gz JYHIOAYYWZMROM-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CC=CC2)CC1 160457317 1169260566 /nfs/dbraw/zinc/26/05/66/1169260566.db2.gz KOGRSCUFUJUDRT-GFCCVEGCSA-N 2 1 194.322 1.779 10 0 ADAEMP CCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 160362819 1169260684 /nfs/dbraw/zinc/26/06/84/1169260684.db2.gz JYHIOAYYWZMROM-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 160445546 1169261451 /nfs/dbraw/zinc/26/14/51/1169261451.db2.gz VJJRACAMSPJECV-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@@H]23)C[NH2+]1 717739106 674049063 /nfs/dbraw/zinc/04/90/63/674049063.db2.gz JAAJNNZTSGFRJJ-BJDJZHNGSA-N 2 1 194.322 1.374 10 0 ADAEMP C1C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@H]23)C[NH2+]1 717739118 674049345 /nfs/dbraw/zinc/04/93/45/674049345.db2.gz JAAJNNZTSGFRJJ-WHOHXGKFSA-N 2 1 194.322 1.374 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH+](CC3CC3)C[C@]2(C)C1 933739090 674055889 /nfs/dbraw/zinc/05/58/89/674055889.db2.gz BIEAJUJYVADLMV-NEPJUHHUSA-N 2 1 194.322 1.280 10 0 ADAEMP C[NH+]1C[C@@H]2C[N@H+](CC3CC3)C[C@]2(C)C1 933739090 674055890 /nfs/dbraw/zinc/05/58/90/674055890.db2.gz BIEAJUJYVADLMV-NEPJUHHUSA-N 2 1 194.322 1.280 10 0 ADAEMP C[NH+]1C[C@@H]2C[N@@H+](CC3CC3)C[C@]2(C)C1 933739090 674055891 /nfs/dbraw/zinc/05/58/91/674055891.db2.gz BIEAJUJYVADLMV-NEPJUHHUSA-N 2 1 194.322 1.280 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CCCC[NH3+])C1 165939886 1169275801 /nfs/dbraw/zinc/27/58/01/1169275801.db2.gz MMGGLTCAENAYLW-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP C1=CCCC([NH2+][C@H]2CCC[NH2+]C2)CC1 718047122 674057645 /nfs/dbraw/zinc/05/76/45/674057645.db2.gz DGMPOVOOZHCEDW-LBPRGKRZSA-N 2 1 194.322 1.827 10 0 ADAEMP C1=CCCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 718047121 674057992 /nfs/dbraw/zinc/05/79/92/674057992.db2.gz DGMPOVOOZHCEDW-GFCCVEGCSA-N 2 1 194.322 1.827 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+](C)CCCC(C)(F)F 718723127 674063056 /nfs/dbraw/zinc/06/30/56/674063056.db2.gz RUEXPPQYBJELOF-MRVPVSSYSA-N 2 1 194.269 1.701 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)CCCC(C)(F)F 718723128 674063069 /nfs/dbraw/zinc/06/30/69/674063069.db2.gz RUEXPPQYBJELOF-QMMMGPOBSA-N 2 1 194.269 1.701 10 0 ADAEMP C[N@@H+](CCC[NH2+]C1CC1)CC1CC1 37925760 674063501 /nfs/dbraw/zinc/06/35/01/674063501.db2.gz ZXWXCBUHWHCUCX-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](CCCCCC[NH3+])CC1CC1 37925729 674063572 /nfs/dbraw/zinc/06/35/72/674063572.db2.gz IMNIDHAFPUCEPH-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP C=C/C=C\CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 720737531 674071267 /nfs/dbraw/zinc/07/12/67/674071267.db2.gz PGNSGBXOMUXEOV-ISALQUGTSA-N 2 1 194.322 1.788 10 0 ADAEMP C[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C1(C)CCCC1 720367509 674068821 /nfs/dbraw/zinc/06/88/21/674068821.db2.gz RKSRBDAHADIHNB-PHIMTYICSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1cc(NCC(C)(C)[NH3+])nc(C)[nH+]1 168406611 1169288617 /nfs/dbraw/zinc/28/86/17/1169288617.db2.gz MZDXBSVLRLHCLT-UHFFFAOYSA-N 2 1 194.282 1.243 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 720737531 674071265 /nfs/dbraw/zinc/07/12/65/674071265.db2.gz PGNSGBXOMUXEOV-ISALQUGTSA-N 2 1 194.322 1.788 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 720737529 674071284 /nfs/dbraw/zinc/07/12/84/674071284.db2.gz PGNSGBXOMUXEOV-GZTOBOFZSA-N 2 1 194.322 1.788 10 0 ADAEMP C=C/C=C\CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 720737529 674071285 /nfs/dbraw/zinc/07/12/85/674071285.db2.gz PGNSGBXOMUXEOV-GZTOBOFZSA-N 2 1 194.322 1.788 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 720623014 674071290 /nfs/dbraw/zinc/07/12/90/674071290.db2.gz PMETWASRXIDVDF-WHOHXGKFSA-N 2 1 194.322 1.184 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 720623010 674071371 /nfs/dbraw/zinc/07/13/71/674071371.db2.gz PMETWASRXIDVDF-NOOOWODRSA-N 2 1 194.322 1.184 10 0 ADAEMP C=C/C=C/CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 720737533 674071403 /nfs/dbraw/zinc/07/14/03/674071403.db2.gz PGNSGBXOMUXEOV-MVIFTORASA-N 2 1 194.322 1.788 10 0 ADAEMP C=C/C=C/CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 720737533 674071408 /nfs/dbraw/zinc/07/14/08/674071408.db2.gz PGNSGBXOMUXEOV-MVIFTORASA-N 2 1 194.322 1.788 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 720623006 674071502 /nfs/dbraw/zinc/07/15/02/674071502.db2.gz PMETWASRXIDVDF-FIQHERPVSA-N 2 1 194.322 1.184 10 0 ADAEMP C=C/C=C/CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 720737536 674071529 /nfs/dbraw/zinc/07/15/29/674071529.db2.gz PGNSGBXOMUXEOV-QRGHLMKCSA-N 2 1 194.322 1.788 10 0 ADAEMP C=C/C=C/CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 720737536 674071531 /nfs/dbraw/zinc/07/15/31/674071531.db2.gz PGNSGBXOMUXEOV-QRGHLMKCSA-N 2 1 194.322 1.788 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 720829961 674071852 /nfs/dbraw/zinc/07/18/52/674071852.db2.gz IHWAOWCBMVNVJP-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720905561 674074458 /nfs/dbraw/zinc/07/44/58/674074458.db2.gz ZZABXNBAIIKLMR-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720905561 674074459 /nfs/dbraw/zinc/07/44/59/674074459.db2.gz ZZABXNBAIIKLMR-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720904541 674074511 /nfs/dbraw/zinc/07/45/11/674074511.db2.gz RSVNGYBKZNSWLF-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720904541 674074512 /nfs/dbraw/zinc/07/45/12/674074512.db2.gz RSVNGYBKZNSWLF-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720905557 674074601 /nfs/dbraw/zinc/07/46/01/674074601.db2.gz ZZABXNBAIIKLMR-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720905557 674074605 /nfs/dbraw/zinc/07/46/05/674074605.db2.gz ZZABXNBAIIKLMR-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720905559 674074668 /nfs/dbraw/zinc/07/46/68/674074668.db2.gz ZZABXNBAIIKLMR-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720905559 674074673 /nfs/dbraw/zinc/07/46/73/674074673.db2.gz ZZABXNBAIIKLMR-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720904540 674074970 /nfs/dbraw/zinc/07/49/70/674074970.db2.gz RSVNGYBKZNSWLF-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720904540 674074972 /nfs/dbraw/zinc/07/49/72/674074972.db2.gz RSVNGYBKZNSWLF-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720905560 674075141 /nfs/dbraw/zinc/07/51/41/674075141.db2.gz ZZABXNBAIIKLMR-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720905560 674075142 /nfs/dbraw/zinc/07/51/42/674075142.db2.gz ZZABXNBAIIKLMR-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720904533 674075151 /nfs/dbraw/zinc/07/51/51/674075151.db2.gz RSVNGYBKZNSWLF-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720904533 674075152 /nfs/dbraw/zinc/07/51/52/674075152.db2.gz RSVNGYBKZNSWLF-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720904536 674075177 /nfs/dbraw/zinc/07/51/77/674075177.db2.gz RSVNGYBKZNSWLF-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720904536 674075178 /nfs/dbraw/zinc/07/51/78/674075178.db2.gz RSVNGYBKZNSWLF-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 723135385 674079092 /nfs/dbraw/zinc/07/90/92/674079092.db2.gz BZPUJIDGQFMGFR-USZNOCQGSA-N 2 1 196.338 1.559 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 723135388 674079198 /nfs/dbraw/zinc/07/91/98/674079198.db2.gz BZPUJIDGQFMGFR-WHOHXGKFSA-N 2 1 196.338 1.559 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 723135389 674079459 /nfs/dbraw/zinc/07/94/59/674079459.db2.gz BZPUJIDGQFMGFR-WYUUTHIRSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CC[NH3+] 723887714 674079698 /nfs/dbraw/zinc/07/96/98/674079698.db2.gz WTLJBDBXGOWLBY-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP [NH3+][C@@H]1CC[NH2+][C@H]1c1ccccc1 201235738 1169304076 /nfs/dbraw/zinc/30/40/76/1169304076.db2.gz NJHPHFALNFHIRK-ZJUUUORDSA-N 2 1 162.236 1.048 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 202177988 1169305431 /nfs/dbraw/zinc/30/54/31/1169305431.db2.gz RCUWREBYAICZIK-LBPRGKRZSA-N 2 1 196.338 1.814 10 0 ADAEMP CC[NH+](CC)C[C@H]1CCC[N@H+](C)C1 201893027 1169306193 /nfs/dbraw/zinc/30/61/93/1169306193.db2.gz BYAOQJQZVGGVFL-NSHDSACASA-N 2 1 184.327 1.670 10 0 ADAEMP CC[NH+](CC)C[C@H]1CCC[N@@H+](C)C1 201893027 1169306202 /nfs/dbraw/zinc/30/62/02/1169306202.db2.gz BYAOQJQZVGGVFL-NSHDSACASA-N 2 1 184.327 1.670 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 202178015 1169306296 /nfs/dbraw/zinc/30/62/96/1169306296.db2.gz RCUWREBYAICZIK-GFCCVEGCSA-N 2 1 196.338 1.814 10 0 ADAEMP CC[NH+](CC)C[C@@H]1CCC[N@H+](C)C1 201892989 1169306936 /nfs/dbraw/zinc/30/69/36/1169306936.db2.gz BYAOQJQZVGGVFL-LLVKDONJSA-N 2 1 184.327 1.670 10 0 ADAEMP CC[NH+](CC)C[C@@H]1CCC[N@@H+](C)C1 201892989 1169306945 /nfs/dbraw/zinc/30/69/45/1169306945.db2.gz BYAOQJQZVGGVFL-LLVKDONJSA-N 2 1 184.327 1.670 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 203824373 1169311439 /nfs/dbraw/zinc/31/14/39/1169311439.db2.gz UOOWYAYZWVKWNG-RYUDHWBXSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 203824373 1169311447 /nfs/dbraw/zinc/31/14/47/1169311447.db2.gz UOOWYAYZWVKWNG-RYUDHWBXSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 203824365 1169311671 /nfs/dbraw/zinc/31/16/71/1169311671.db2.gz UOOWYAYZWVKWNG-NEPJUHHUSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 203824365 1169311678 /nfs/dbraw/zinc/31/16/78/1169311678.db2.gz UOOWYAYZWVKWNG-NEPJUHHUSA-N 2 1 196.338 1.813 10 0 ADAEMP CCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 211343949 1169326122 /nfs/dbraw/zinc/32/61/22/1169326122.db2.gz PREDIIJGFWFALU-NSHDSACASA-N 2 1 182.311 1.614 10 0 ADAEMP CCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 211343949 1169326134 /nfs/dbraw/zinc/32/61/34/1169326134.db2.gz PREDIIJGFWFALU-NSHDSACASA-N 2 1 182.311 1.614 10 0 ADAEMP CC(C)C[N@@H+]1CC[C@]2(CCCC[NH2+]2)C1 211344760 1169326330 /nfs/dbraw/zinc/32/63/30/1169326330.db2.gz LZCSAUKVWHUXCL-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C1CC[C@@]2(CC[N@@H+](CC3CC3)C2)[NH2+]C1 211345064 1169326702 /nfs/dbraw/zinc/32/67/02/1169326702.db2.gz SEJAGZNODWTQGE-LBPRGKRZSA-N 2 1 194.322 1.614 10 0 ADAEMP C1CC[C@@]2(CC[N@H+](CC3CC3)C2)[NH2+]C1 211345064 1169326712 /nfs/dbraw/zinc/32/67/12/1169326712.db2.gz SEJAGZNODWTQGE-LBPRGKRZSA-N 2 1 194.322 1.614 10 0 ADAEMP CC(C)C[N@@H+]1CC[C@@]2(CCCC[NH2+]2)C1 211344825 1169326905 /nfs/dbraw/zinc/32/69/05/1169326905.db2.gz LZCSAUKVWHUXCL-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 211344265 1169327137 /nfs/dbraw/zinc/32/71/37/1169327137.db2.gz DBCCAJGQZGXNOS-JTQLQIEISA-N 2 1 168.284 1.224 10 0 ADAEMP CC[N@H+]1CCCC[C@@]12CC[NH2+]C2 211344265 1169327146 /nfs/dbraw/zinc/32/71/46/1169327146.db2.gz DBCCAJGQZGXNOS-JTQLQIEISA-N 2 1 168.284 1.224 10 0 ADAEMP CC[N@@H+]1CCCC[C@]12CC[NH2+]C2 211344324 1169327337 /nfs/dbraw/zinc/32/73/37/1169327337.db2.gz DBCCAJGQZGXNOS-SNVBAGLBSA-N 2 1 168.284 1.224 10 0 ADAEMP CC[N@H+]1CCCC[C@]12CC[NH2+]C2 211344324 1169327345 /nfs/dbraw/zinc/32/73/45/1169327345.db2.gz DBCCAJGQZGXNOS-SNVBAGLBSA-N 2 1 168.284 1.224 10 0 ADAEMP CCC[N@@H+]1CC[C@@]2(CCCC[NH2+]2)C1 211344177 1169327423 /nfs/dbraw/zinc/32/74/23/1169327423.db2.gz OCGRNXCBXIQUCF-NSHDSACASA-N 2 1 182.311 1.614 10 0 ADAEMP CCC[N@H+]1CC[C@@]2(CCCC[NH2+]2)C1 211344177 1169327435 /nfs/dbraw/zinc/32/74/35/1169327435.db2.gz OCGRNXCBXIQUCF-NSHDSACASA-N 2 1 182.311 1.614 10 0 ADAEMP CCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 211344016 1169327662 /nfs/dbraw/zinc/32/76/62/1169327662.db2.gz PREDIIJGFWFALU-LLVKDONJSA-N 2 1 182.311 1.614 10 0 ADAEMP CCC[N@H+]1CCCC[C@]12CC[NH2+]C2 211344016 1169327670 /nfs/dbraw/zinc/32/76/70/1169327670.db2.gz PREDIIJGFWFALU-LLVKDONJSA-N 2 1 182.311 1.614 10 0 ADAEMP C1CC[C@]2(CC[N@@H+](CC3CC3)C2)[NH2+]C1 211345132 1169328460 /nfs/dbraw/zinc/32/84/60/1169328460.db2.gz SEJAGZNODWTQGE-GFCCVEGCSA-N 2 1 194.322 1.614 10 0 ADAEMP C1CC[C@]2(CC[N@H+](CC3CC3)C2)[NH2+]C1 211345132 1169328466 /nfs/dbraw/zinc/32/84/66/1169328466.db2.gz SEJAGZNODWTQGE-GFCCVEGCSA-N 2 1 194.322 1.614 10 0 ADAEMP CCC[N@@H+]1CC[C@]2(CCCC[NH2+]2)C1 211344100 1169329105 /nfs/dbraw/zinc/32/91/05/1169329105.db2.gz OCGRNXCBXIQUCF-LLVKDONJSA-N 2 1 182.311 1.614 10 0 ADAEMP CCC[N@H+]1CC[C@]2(CCCC[NH2+]2)C1 211344100 1169329115 /nfs/dbraw/zinc/32/91/15/1169329115.db2.gz OCGRNXCBXIQUCF-LLVKDONJSA-N 2 1 182.311 1.614 10 0 ADAEMP CC(C)C[N@H+]1CCCC[C@H](C[NH3+])C1 213155962 1169333488 /nfs/dbraw/zinc/33/34/88/1169333488.db2.gz QQKJSFSZLRPBAJ-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[N@H+]1CCCC[C@@H](C[NH3+])C1 213156021 1169334324 /nfs/dbraw/zinc/33/43/24/1169334324.db2.gz QQKJSFSZLRPBAJ-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CCCCC[N@H+]1CC[C@](C)([NH3+])C1 218809546 1169340667 /nfs/dbraw/zinc/34/06/67/1169340667.db2.gz QDWNAYOCBYWWDJ-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CC(C)CC[N@H+]1CC[C@@](C)([NH3+])C1 218809268 1169340887 /nfs/dbraw/zinc/34/08/87/1169340887.db2.gz DJKRGLLCVCARDS-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 218821323 1169341159 /nfs/dbraw/zinc/34/11/59/1169341159.db2.gz SPTMLEGASGSGRK-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 218821323 1169341168 /nfs/dbraw/zinc/34/11/68/1169341168.db2.gz SPTMLEGASGSGRK-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)CC[N@H+]1CC[C@](C)([NH3+])C1 218809337 1169342005 /nfs/dbraw/zinc/34/20/05/1169342005.db2.gz DJKRGLLCVCARDS-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CCCCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 218821238 1169342557 /nfs/dbraw/zinc/34/25/57/1169342557.db2.gz SPTMLEGASGSGRK-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 218821238 1169342566 /nfs/dbraw/zinc/34/25/66/1169342566.db2.gz SPTMLEGASGSGRK-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[N@H+]1CC[C@@](C)([NH3+])C1 218809462 1169343239 /nfs/dbraw/zinc/34/32/39/1169343239.db2.gz QDWNAYOCBYWWDJ-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1[C@H]1CCSC1 221454502 1169353956 /nfs/dbraw/zinc/35/39/56/1169353956.db2.gz XHANKUXBIUHOEZ-VIFPVBQESA-N 2 1 197.307 1.062 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCSC1 221454443 1169355674 /nfs/dbraw/zinc/35/56/74/1169355674.db2.gz XHANKUXBIUHOEZ-SECBINFHSA-N 2 1 197.307 1.062 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]CC2(C)CC2)CC1 222190507 1169357077 /nfs/dbraw/zinc/35/70/77/1169357077.db2.gz WJKDMOVJQOAKOP-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]CC2(C)CC2)CC1 222190446 1169358771 /nfs/dbraw/zinc/35/87/71/1169358771.db2.gz WJKDMOVJQOAKOP-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 224187705 1169363636 /nfs/dbraw/zinc/36/36/36/1169363636.db2.gz ZPEHGEZSTIZNHE-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 224187705 1169363647 /nfs/dbraw/zinc/36/36/47/1169363647.db2.gz ZPEHGEZSTIZNHE-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@@H](CC)[N@H+]1CC[C@@H](N)C1 224504901 1169364336 /nfs/dbraw/zinc/36/43/36/1169364336.db2.gz UEUUDQVNRSKSCN-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])C1 224504901 1169364341 /nfs/dbraw/zinc/36/43/41/1169364341.db2.gz UEUUDQVNRSKSCN-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])C1 224504901 1169364346 /nfs/dbraw/zinc/36/43/46/1169364346.db2.gz UEUUDQVNRSKSCN-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H](CC)[N@H+]1CC[C@@H](N)C1 224504948 1169365446 /nfs/dbraw/zinc/36/54/46/1169365446.db2.gz UEUUDQVNRSKSCN-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])C1 224504948 1169365451 /nfs/dbraw/zinc/36/54/51/1169365451.db2.gz UEUUDQVNRSKSCN-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])C1 224504948 1169365460 /nfs/dbraw/zinc/36/54/60/1169365460.db2.gz UEUUDQVNRSKSCN-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)CC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 224187759 1169365621 /nfs/dbraw/zinc/36/56/21/1169365621.db2.gz ZPEHGEZSTIZNHE-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 224187759 1169365629 /nfs/dbraw/zinc/36/56/29/1169365629.db2.gz ZPEHGEZSTIZNHE-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CCCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 225010837 1169368281 /nfs/dbraw/zinc/36/82/81/1169368281.db2.gz MLQNCQUPYZSLBV-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 225010837 1169368289 /nfs/dbraw/zinc/36/82/89/1169368289.db2.gz MLQNCQUPYZSLBV-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 225010880 1169369287 /nfs/dbraw/zinc/36/92/87/1169369287.db2.gz MLQNCQUPYZSLBV-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 225010880 1169369296 /nfs/dbraw/zinc/36/92/96/1169369296.db2.gz MLQNCQUPYZSLBV-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)[C@@H](C)C1 225725763 1169372056 /nfs/dbraw/zinc/37/20/56/1169372056.db2.gz QUAZAMGVYPOELE-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@H](C)CC[N@H+]1CCCC[NH3+] 225692166 1169372120 /nfs/dbraw/zinc/37/21/20/1169372120.db2.gz VMWXHOUBIRIJAK-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCC[NH3+])[C@@H](C)C1 225692183 1169372286 /nfs/dbraw/zinc/37/22/86/1169372286.db2.gz VMWXHOUBIRIJAK-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1C[C@H](C)CC[N@@H+]1C1CC[NH2+]CC1 225725734 1169372612 /nfs/dbraw/zinc/37/26/12/1169372612.db2.gz QUAZAMGVYPOELE-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC1(C[N@@H+]2CC[C@H]([NH3+])C2)CCCCC1 228779546 1169381105 /nfs/dbraw/zinc/38/11/05/1169381105.db2.gz JANFQAMGHRYAJN-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC1(C[N@H+]2CC[C@H]([NH3+])C2)CCCCC1 228779546 1169381112 /nfs/dbraw/zinc/38/11/12/1169381112.db2.gz JANFQAMGHRYAJN-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CSCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 228172015 1169381310 /nfs/dbraw/zinc/38/13/10/1169381310.db2.gz HCZMPKGRKHDGAE-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CSCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 228172015 1169381320 /nfs/dbraw/zinc/38/13/20/1169381320.db2.gz HCZMPKGRKHDGAE-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C1 228727406 1169381358 /nfs/dbraw/zinc/38/13/58/1169381358.db2.gz XQOHDHVXNWURAQ-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CSCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 228172031 1169381792 /nfs/dbraw/zinc/38/17/92/1169381792.db2.gz HCZMPKGRKHDGAE-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CSCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 228172031 1169381800 /nfs/dbraw/zinc/38/18/00/1169381800.db2.gz HCZMPKGRKHDGAE-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@@H](C)CC[N@@H+]1CC[C@@H]([NH3+])C1 228172173 1169383142 /nfs/dbraw/zinc/38/31/42/1169383142.db2.gz STKIXCLDEJNCJG-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@@H](C)CC[N@H+]1CC[C@@H]([NH3+])C1 228172173 1169383149 /nfs/dbraw/zinc/38/31/49/1169383149.db2.gz STKIXCLDEJNCJG-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCCCC1 228779530 1169383356 /nfs/dbraw/zinc/38/33/56/1169383356.db2.gz JANFQAMGHRYAJN-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC1(C[N@H+]2CC[C@@H]([NH3+])C2)CCCCC1 228779530 1169383363 /nfs/dbraw/zinc/38/33/63/1169383363.db2.gz JANFQAMGHRYAJN-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CS[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])C1 228172188 1169383877 /nfs/dbraw/zinc/38/38/77/1169383877.db2.gz STKIXCLDEJNCJG-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])C1 228172188 1169383884 /nfs/dbraw/zinc/38/38/84/1169383884.db2.gz STKIXCLDEJNCJG-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@@H+]2C[C@H]3CCC[C@H]3C2)C1 229249239 1169387333 /nfs/dbraw/zinc/38/73/33/1169387333.db2.gz BVYXNKFGALWOLK-TUAOUCFPSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 229550926 1169390744 /nfs/dbraw/zinc/39/07/44/1169390744.db2.gz LAJPLSAQZVJUKD-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CCC(C)(C)C2)CC[NH2+]1 229549763 1169390959 /nfs/dbraw/zinc/39/09/59/1169390959.db2.gz HCHCEWZNXYSJQL-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]([N@H+]2CCC(C)(C)C2)CC[NH2+]1 229549782 1169391262 /nfs/dbraw/zinc/39/12/62/1169391262.db2.gz HCHCEWZNXYSJQL-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CCC(C)(C)C2)CC[NH2+]1 229549789 1169391833 /nfs/dbraw/zinc/39/18/33/1169391833.db2.gz HCHCEWZNXYSJQL-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@H]([N@H+]2CCC(C)(C)C2)CC[NH2+]1 229549773 1169393000 /nfs/dbraw/zinc/39/30/00/1169393000.db2.gz HCHCEWZNXYSJQL-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] 233279473 1169409136 /nfs/dbraw/zinc/40/91/36/1169409136.db2.gz GSPUYKYLQUBICX-MRVPVSSYSA-N 2 1 158.289 1.502 10 0 ADAEMP CC1(C)CC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 232802417 1169409894 /nfs/dbraw/zinc/40/98/94/1169409894.db2.gz DCEZXWGDUFNRDR-SECBINFHSA-N 2 1 182.311 1.646 10 0 ADAEMP CC1(C)CC[C@H]([NH2+]C2(C[NH3+])CC2)C1 232801422 1169410156 /nfs/dbraw/zinc/41/01/56/1169410156.db2.gz DCEZXWGDUFNRDR-VIFPVBQESA-N 2 1 182.311 1.646 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233276394 1169410173 /nfs/dbraw/zinc/41/01/73/1169410173.db2.gz FXOCHWYPCPNZCY-UTUOFQBUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]([NH3+])C[NH2+][C@H](C)CC(F)(F)F 233892863 1169411382 /nfs/dbraw/zinc/41/13/82/1169411382.db2.gz UVBLYCRWZASLCE-RNFRBKRXSA-N 2 1 198.232 1.654 10 0 ADAEMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CC(F)(F)F 233892803 1169412990 /nfs/dbraw/zinc/41/29/90/1169412990.db2.gz UVBLYCRWZASLCE-NKWVEPMBSA-N 2 1 198.232 1.654 10 0 ADAEMP CCC[C@H](C)[NH2+]C(C)(C)C[NH3+] 233336334 1169413543 /nfs/dbraw/zinc/41/35/43/1169413543.db2.gz GSPUYKYLQUBICX-QMMMGPOBSA-N 2 1 158.289 1.502 10 0 ADAEMP CC[C@H]([NH3+])C[NH2+][C@@H](C)CC(F)(F)F 234027330 1169414943 /nfs/dbraw/zinc/41/49/43/1169414943.db2.gz UVBLYCRWZASLCE-BQBZGAKWSA-N 2 1 198.232 1.654 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])CC2)C1 235326470 1169415759 /nfs/dbraw/zinc/41/57/59/1169415759.db2.gz URCBDZCGBHQQIK-BDAKNGLRSA-N 2 1 168.284 1.256 10 0 ADAEMP CC[C@H]([NH3+])C[NH2+][C@H](C)CC(F)(F)F 234027454 1169417018 /nfs/dbraw/zinc/41/70/18/1169417018.db2.gz UVBLYCRWZASLCE-RQJHMYQMSA-N 2 1 198.232 1.654 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C2(C[NH3+])CC2)C1 235641886 1169418674 /nfs/dbraw/zinc/41/86/74/1169418674.db2.gz URCBDZCGBHQQIK-IUCAKERBSA-N 2 1 168.284 1.256 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 249851953 1169425055 /nfs/dbraw/zinc/42/50/55/1169425055.db2.gz JYHIOAYYWZMROM-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 249851949 1169425434 /nfs/dbraw/zinc/42/54/34/1169425434.db2.gz JYHIOAYYWZMROM-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 250607961 1169426195 /nfs/dbraw/zinc/42/61/95/1169426195.db2.gz XMCDUBXERYSHNR-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 250607958 1169426583 /nfs/dbraw/zinc/42/65/83/1169426583.db2.gz XMCDUBXERYSHNR-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 250620191 1169426724 /nfs/dbraw/zinc/42/67/24/1169426724.db2.gz JJSFGFUJAIPWFA-ILWJIGKKSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[NH2+][C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2C 250620192 1169426762 /nfs/dbraw/zinc/42/67/62/1169426762.db2.gz JJSFGFUJAIPWFA-OWUUHHOZSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H]1C 251081002 1169427567 /nfs/dbraw/zinc/42/75/67/1169427567.db2.gz LVGSKEXNWALTOE-UTLUCORTSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 252713706 1169434249 /nfs/dbraw/zinc/43/42/49/1169434249.db2.gz PZIHDBNNTAFMSN-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@H]1C 251080998 1169427906 /nfs/dbraw/zinc/42/79/06/1169427906.db2.gz LVGSKEXNWALTOE-BBBLOLIVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@@H]1C 251080995 1169428260 /nfs/dbraw/zinc/42/82/60/1169428260.db2.gz LVGSKEXNWALTOE-AEJSXWLSSA-N 2 1 170.300 1.312 10 0 ADAEMP C1C[NH2+][C@@H]2CC[N@H+](CC3CC3)C[C@@H]2C1 251278342 1169429583 /nfs/dbraw/zinc/42/95/83/1169429583.db2.gz MLKDWPNCWJNRHP-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 251523471 1169429619 /nfs/dbraw/zinc/42/96/19/1169429619.db2.gz AHIZGOGLOHPLLQ-YIBTVLSRSA-N 2 1 196.338 2.000 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 251523456 1169429626 /nfs/dbraw/zinc/42/96/26/1169429626.db2.gz AHIZGOGLOHPLLQ-WSMDXJOWSA-N 2 1 196.338 2.000 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C[C@H]1C 251848459 1169430872 /nfs/dbraw/zinc/43/08/72/1169430872.db2.gz OTSJBYNORMRUEK-KKOKHZNYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C[C@H]1C 251848459 1169430876 /nfs/dbraw/zinc/43/08/76/1169430876.db2.gz OTSJBYNORMRUEK-KKOKHZNYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)C1 251682062 1169430994 /nfs/dbraw/zinc/43/09/94/1169430994.db2.gz ALWQTDWVPFCZOS-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCC[N@H+]1C1C[C@@H]2CC[C@H](C1)[NH2+]2 252172511 1169431108 /nfs/dbraw/zinc/43/11/08/1169431108.db2.gz OGECOHLWCJICOT-WSMDXJOWSA-N 2 1 194.322 1.754 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C1C[C@@H]2CC[C@H](C1)[NH2+]2 252172513 1169431398 /nfs/dbraw/zinc/43/13/98/1169431398.db2.gz OGECOHLWCJICOT-YIBTVLSRSA-N 2 1 194.322 1.754 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C)C2)C1 251682059 1169431667 /nfs/dbraw/zinc/43/16/67/1169431667.db2.gz ALWQTDWVPFCZOS-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1CCCC[NH3+] 252131354 1169431739 /nfs/dbraw/zinc/43/17/39/1169431739.db2.gz KVKBBANDGFSSKS-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 252339305 1169432999 /nfs/dbraw/zinc/43/29/99/1169432999.db2.gz ZZFYFRYVCUOLND-BDAKNGLRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 252339306 1169433103 /nfs/dbraw/zinc/43/31/03/1169433103.db2.gz ZZFYFRYVCUOLND-RKDXNWHRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 252879184 1169433857 /nfs/dbraw/zinc/43/38/57/1169433857.db2.gz XQOHDHVXNWURAQ-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 252743659 1169434138 /nfs/dbraw/zinc/43/41/38/1169434138.db2.gz QCUKLRANIOWJDT-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]2C1 252743659 1169434142 /nfs/dbraw/zinc/43/41/42/1169434142.db2.gz QCUKLRANIOWJDT-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)CC1 252725607 1169434209 /nfs/dbraw/zinc/43/42/09/1169434209.db2.gz VJJRACAMSPJECV-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C 252713706 1169434244 /nfs/dbraw/zinc/43/42/44/1169434244.db2.gz PZIHDBNNTAFMSN-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 252713707 1169434506 /nfs/dbraw/zinc/43/45/06/1169434506.db2.gz PZIHDBNNTAFMSN-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 252713707 1169434513 /nfs/dbraw/zinc/43/45/13/1169434513.db2.gz PZIHDBNNTAFMSN-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)C1 252879182 1169434798 /nfs/dbraw/zinc/43/47/98/1169434798.db2.gz XQOHDHVXNWURAQ-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[NH2+][C@H](C)C1 252941761 1169435800 /nfs/dbraw/zinc/43/58/00/1169435800.db2.gz JIWOXIHWWIXXMA-GHMZBOCLSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252970988 1169435886 /nfs/dbraw/zinc/43/58/86/1169435886.db2.gz ZVYONEPMBINKIA-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252961805 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1169436733 /nfs/dbraw/zinc/43/67/33/1169436733.db2.gz LAJPLSAQZVJUKD-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[NH2+][C@H](C)C1 252941762 1169436974 /nfs/dbraw/zinc/43/69/74/1169436974.db2.gz JIWOXIHWWIXXMA-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 252961803 1169437054 /nfs/dbraw/zinc/43/70/54/1169437054.db2.gz VKBHRRGLNATLLI-DCAQKATOSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 252944128 1169437192 /nfs/dbraw/zinc/43/71/92/1169437192.db2.gz LAJPLSAQZVJUKD-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](F)CC1 259678386 1169439487 /nfs/dbraw/zinc/43/94/87/1169439487.db2.gz JBKIIHIEXDKUCO-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](F)CC1 259678386 1169439491 /nfs/dbraw/zinc/43/94/91/1169439491.db2.gz JBKIIHIEXDKUCO-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](F)CC1 259678391 1169439958 /nfs/dbraw/zinc/43/99/58/1169439958.db2.gz JBKIIHIEXDKUCO-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](F)CC1 259678391 1169439962 /nfs/dbraw/zinc/43/99/62/1169439962.db2.gz JBKIIHIEXDKUCO-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](F)CC1 259678379 1169440073 /nfs/dbraw/zinc/44/00/73/1169440073.db2.gz JBKIIHIEXDKUCO-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](F)CC1 259678379 1169440078 /nfs/dbraw/zinc/44/00/78/1169440078.db2.gz JBKIIHIEXDKUCO-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](F)CC1 259678399 1169440654 /nfs/dbraw/zinc/44/06/54/1169440654.db2.gz JBKIIHIEXDKUCO-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](F)CC1 259678399 1169440658 /nfs/dbraw/zinc/44/06/58/1169440658.db2.gz JBKIIHIEXDKUCO-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[N@H+]1CCC[C@](F)(C[NH3+])CC1 259824027 1169441727 /nfs/dbraw/zinc/44/17/27/1169441727.db2.gz UGSNZNPHQLCXEI-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1 259824028 1169441792 /nfs/dbraw/zinc/44/17/92/1169441792.db2.gz UGSNZNPHQLCXEI-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@](C)(F)CC1 259743078 1169442219 /nfs/dbraw/zinc/44/22/19/1169442219.db2.gz NOVMLXXVRBKWIW-ZJUUUORDSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC[C@](C)(F)CC1 259743076 1169443645 /nfs/dbraw/zinc/44/36/45/1169443645.db2.gz NOVMLXXVRBKWIW-UWVGGRQHSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@](C)(F)CC1 259743075 1169443697 /nfs/dbraw/zinc/44/36/97/1169443697.db2.gz NOVMLXXVRBKWIW-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@](C)(F)CC1 259743077 1169443927 /nfs/dbraw/zinc/44/39/27/1169443927.db2.gz NOVMLXXVRBKWIW-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP C1C[C@H]2C[C@H]2[N@H+](C2CC[NH2+]CC2)C1 260008711 1169445250 /nfs/dbraw/zinc/44/52/50/1169445250.db2.gz KHXJSGLBDRLXGA-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2C[C@@H]2[N@H+](C2CC[NH2+]CC2)C1 260008713 1169445020 /nfs/dbraw/zinc/44/50/20/1169445020.db2.gz KHXJSGLBDRLXGA-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2C[C@@H]2[N@@H+](C2CC[NH2+]CC2)C1 260008713 1169445026 /nfs/dbraw/zinc/44/50/26/1169445026.db2.gz KHXJSGLBDRLXGA-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]2C[C@H]2[N@@H+](C2CC[NH2+]CC2)C1 260008711 1169445252 /nfs/dbraw/zinc/44/52/52/1169445252.db2.gz KHXJSGLBDRLXGA-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CCC[C@H]3C[C@H]32)C1 260060061 1169446444 /nfs/dbraw/zinc/44/64/44/1169446444.db2.gz MXVHNPVPHUNGPX-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CCC[C@H]3C[C@H]32)C1 260060061 1169446449 /nfs/dbraw/zinc/44/64/49/1169446449.db2.gz MXVHNPVPHUNGPX-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@@H]2C[C@@H]21 260271577 1169448862 /nfs/dbraw/zinc/44/88/62/1169448862.db2.gz XMXJVVCHAPJWLM-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@H]2C[C@H]21 260271571 1169449228 /nfs/dbraw/zinc/44/92/28/1169449228.db2.gz XMXJVVCHAPJWLM-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 300049099 1169458657 /nfs/dbraw/zinc/45/86/57/1169458657.db2.gz PHOHVAMRRIVPHW-WISYIIOYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H](CC1CC1)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048771 1169458726 /nfs/dbraw/zinc/45/87/26/1169458726.db2.gz MMSPPBKLZPSDRJ-WCABBAIRSA-N 2 1 182.311 1.454 10 0 ADAEMP CCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300046890 1169459000 /nfs/dbraw/zinc/45/90/00/1169459000.db2.gz AXFCRTKXJRTXGJ-KXUCPTDWSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 300063388 1169459503 /nfs/dbraw/zinc/45/95/03/1169459503.db2.gz URCBDZCGBHQQIK-RKDXNWHRSA-N 2 1 168.284 1.256 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)CC2CC2)C[C@H]1[NH3+] 300048770 1169459623 /nfs/dbraw/zinc/45/96/23/1169459623.db2.gz MMSPPBKLZPSDRJ-FXPVBKGRSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1CCC([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)CC1 300050447 1169460101 /nfs/dbraw/zinc/46/01/01/1169460101.db2.gz ZUTBPDAQJVSOMB-RUJICJSRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+](C)CCCSC 300778508 1169461694 /nfs/dbraw/zinc/46/16/94/1169461694.db2.gz UBIHTYOYFGYQAU-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)CCCSC 300778508 1169461700 /nfs/dbraw/zinc/46/17/00/1169461700.db2.gz UBIHTYOYFGYQAU-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 306207427 1169466486 /nfs/dbraw/zinc/46/64/86/1169466486.db2.gz JYHXTUYPHYIHJZ-GARJFASQSA-N 2 1 182.311 1.278 10 0 ADAEMP CC[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 306207427 1169466488 /nfs/dbraw/zinc/46/64/88/1169466488.db2.gz JYHXTUYPHYIHJZ-GARJFASQSA-N 2 1 182.311 1.278 10 0 ADAEMP CC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 306207427 1169466490 /nfs/dbraw/zinc/46/64/90/1169466490.db2.gz JYHXTUYPHYIHJZ-GARJFASQSA-N 2 1 182.311 1.278 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 306207428 1169466602 /nfs/dbraw/zinc/46/66/02/1169466602.db2.gz JYHXTUYPHYIHJZ-MXWKQRLJSA-N 2 1 182.311 1.278 10 0 ADAEMP CC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 306207428 1169466603 /nfs/dbraw/zinc/46/66/03/1169466603.db2.gz JYHXTUYPHYIHJZ-MXWKQRLJSA-N 2 1 182.311 1.278 10 0 ADAEMP CC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 306207428 1169466605 /nfs/dbraw/zinc/46/66/05/1169466605.db2.gz JYHXTUYPHYIHJZ-MXWKQRLJSA-N 2 1 182.311 1.278 10 0 ADAEMP C1CC([N@@H+]2CC3CCC2CC3)CC[NH2+]1 306227417 1169468066 /nfs/dbraw/zinc/46/80/66/1169468066.db2.gz HCDMECYTUXAHAJ-UHFFFAOYSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC([N@H+]2CC3CCC2CC3)CC[NH2+]1 306227417 1169468068 /nfs/dbraw/zinc/46/80/68/1169468068.db2.gz HCDMECYTUXAHAJ-UHFFFAOYSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)C1CCSCC1 306253404 1169469440 /nfs/dbraw/zinc/46/94/40/1169469440.db2.gz MVVPMGTVNBVGHG-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC1(C)[C@H]2C[N@H+](C3CC[NH2+]CC3)C[C@H]21 306693343 1169487254 /nfs/dbraw/zinc/48/72/54/1169487254.db2.gz SXHWBMVROHWDSC-PHIMTYICSA-N 2 1 194.322 1.326 10 0 ADAEMP C[C@H]1CC[C@@H]([N@@H+]2CCC3(CC3)C2)C[NH2+]1 307063819 1169499241 /nfs/dbraw/zinc/49/92/41/1169499241.db2.gz OSGMJFKGAAZKMA-WDEREUQCSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H]1CC[C@@H]([N@H+]2CCC3(CC3)C2)C[NH2+]1 307063819 1169499245 /nfs/dbraw/zinc/49/92/45/1169499245.db2.gz OSGMJFKGAAZKMA-WDEREUQCSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H]1CC[C@H]([N@@H+]2CCC3(CC3)C2)C[NH2+]1 307063818 1169499377 /nfs/dbraw/zinc/49/93/77/1169499377.db2.gz OSGMJFKGAAZKMA-QWRGUYRKSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H]1CC[C@H]([N@H+]2CCC3(CC3)C2)C[NH2+]1 307063818 1169499382 /nfs/dbraw/zinc/49/93/82/1169499382.db2.gz OSGMJFKGAAZKMA-QWRGUYRKSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@H+]2[C@H]3CCC[C@@H]2CC3)C1 307055855 1169499539 /nfs/dbraw/zinc/49/95/39/1169499539.db2.gz UPWBKOMKCZVONB-TUAOUCFPSA-N 2 1 194.322 1.755 10 0 ADAEMP C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[NH2+]C1 307055854 1169499723 /nfs/dbraw/zinc/49/97/23/1169499723.db2.gz UPWBKOMKCZVONB-GRYCIOLGSA-N 2 1 194.322 1.755 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+]2CCC3(CC3)C2)C[NH2+]1 307063816 1169499792 /nfs/dbraw/zinc/49/97/92/1169499792.db2.gz OSGMJFKGAAZKMA-GHMZBOCLSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+]2CCC3(CC3)C2)C[NH2+]1 307063816 1169499799 /nfs/dbraw/zinc/49/97/99/1169499799.db2.gz OSGMJFKGAAZKMA-GHMZBOCLSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CCC3(CC3)C2)C[NH2+]1 307063817 1169499972 /nfs/dbraw/zinc/49/99/72/1169499972.db2.gz OSGMJFKGAAZKMA-MNOVXSKESA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CCC3(CC3)C2)C[NH2+]1 307063817 1169499976 /nfs/dbraw/zinc/49/99/76/1169499976.db2.gz OSGMJFKGAAZKMA-MNOVXSKESA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C[NH2+]1 307079883 1169500353 /nfs/dbraw/zinc/50/03/53/1169500353.db2.gz FYRJPMDKYLTVAL-GRYCIOLGSA-N 2 1 194.322 1.825 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC=CCC2)C[NH2+]1 307079884 1169501099 /nfs/dbraw/zinc/50/10/99/1169501099.db2.gz FYRJPMDKYLTVAL-IJLUTSLNSA-N 2 1 194.322 1.825 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1[C@H]1C[C@@H]2C[C@@H]2C1 307075928 1169501175 /nfs/dbraw/zinc/50/11/75/1169501175.db2.gz COLHBZFODZTOFX-DOFRTFSJSA-N 2 1 191.278 1.355 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C[NH2+]1 307079886 1169502587 /nfs/dbraw/zinc/50/25/87/1169502587.db2.gz FYRJPMDKYLTVAL-WOPDTQHZSA-N 2 1 194.322 1.825 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C[NH2+]1 307079885 1169503438 /nfs/dbraw/zinc/50/34/38/1169503438.db2.gz FYRJPMDKYLTVAL-UTUOFQBUSA-N 2 1 194.322 1.825 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]CC2CCC2)C[NH2+]1 307228781 1169509705 /nfs/dbraw/zinc/50/97/05/1169509705.db2.gz JYEVIHDWLKLIDS-MWLCHTKSSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]CC2CCC2)C[NH2+]1 307228780 1169509747 /nfs/dbraw/zinc/50/97/47/1169509747.db2.gz JYEVIHDWLKLIDS-KOLCDFICSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CC2CCC2)C[NH2+]1 307228779 1169510843 /nfs/dbraw/zinc/51/08/43/1169510843.db2.gz JYEVIHDWLKLIDS-GXSJLCMTSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CC2CCC2)C[NH2+]1 307228782 1169511046 /nfs/dbraw/zinc/51/10/46/1169511046.db2.gz JYEVIHDWLKLIDS-ONGXEEELSA-N 2 1 182.311 1.517 10 0 ADAEMP C1C[C@@H]2C[C@@H]2[N@@H+](CC2CC[NH2+]CC2)C1 307362675 1169517095 /nfs/dbraw/zinc/51/70/95/1169517095.db2.gz GNXCBKJLVIJIHU-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 307441907 1169522379 /nfs/dbraw/zinc/52/23/79/1169522379.db2.gz BQHORLPQCFWPND-PHIMTYICSA-N 2 1 194.322 1.755 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CCC[C@H]([NH3+])CC1 307568468 1169527759 /nfs/dbraw/zinc/52/77/59/1169527759.db2.gz TXCGGMXNDFDSLG-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH3+])CC1 307568470 1169528472 /nfs/dbraw/zinc/52/84/72/1169528472.db2.gz TXCGGMXNDFDSLG-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CCC[C@@H]([NH3+])CC1 307568467 1169528749 /nfs/dbraw/zinc/52/87/49/1169528749.db2.gz TXCGGMXNDFDSLG-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@H]([NH3+])CC1 307568469 1169529565 /nfs/dbraw/zinc/52/95/65/1169529565.db2.gz TXCGGMXNDFDSLG-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C1CC2(C1)CC[N@H+](C1CC[NH2+]CC1)C2 307596807 1169530311 /nfs/dbraw/zinc/53/03/11/1169530311.db2.gz MSOZFYGOAAFJRL-UHFFFAOYSA-N 2 1 194.322 1.614 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H]1CC[C@H](C)[NH2+]C1 307716748 1169538300 /nfs/dbraw/zinc/53/83/00/1169538300.db2.gz LHCZHIWHBLKAME-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@H](C)[NH2+]C1 307716748 1169538308 /nfs/dbraw/zinc/53/83/08/1169538308.db2.gz LHCZHIWHBLKAME-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+](C1CC1)[C@H]1CC[C@H](C)[NH2+]C1 307716751 1169539072 /nfs/dbraw/zinc/53/90/72/1169539072.db2.gz LHCZHIWHBLKAME-ONGXEEELSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@H](C)[NH2+]C1 307716751 1169539077 /nfs/dbraw/zinc/53/90/77/1169539077.db2.gz LHCZHIWHBLKAME-ONGXEEELSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+](C1CC1)[C@H]1CC[C@@H](C)[NH2+]C1 307716749 1169539373 /nfs/dbraw/zinc/53/93/73/1169539373.db2.gz LHCZHIWHBLKAME-KOLCDFICSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@@H](C)[NH2+]C1 307716749 1169539379 /nfs/dbraw/zinc/53/93/79/1169539379.db2.gz LHCZHIWHBLKAME-KOLCDFICSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@@H](C)[NH2+]C1 307716750 1169540447 /nfs/dbraw/zinc/54/04/47/1169540447.db2.gz LHCZHIWHBLKAME-MWLCHTKSSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H]1CC[C@@H](C)[NH2+]C1 307716750 1169540441 /nfs/dbraw/zinc/54/04/41/1169540441.db2.gz LHCZHIWHBLKAME-MWLCHTKSSA-N 2 1 182.311 1.611 10 0 ADAEMP C1CCC([NH2+]CCC[NH+]2CCC2)C1 308231255 1169547278 /nfs/dbraw/zinc/54/72/78/1169547278.db2.gz SVIQDSVBEPNYIJ-UHFFFAOYSA-N 2 1 182.311 1.614 10 0 ADAEMP CCCC[N@H+]1CCCC[C@H](C[NH3+])C1 379363521 1169576493 /nfs/dbraw/zinc/57/64/93/1169576493.db2.gz GIKWGTAFOQXMCE-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 379363522 1169576585 /nfs/dbraw/zinc/57/65/85/1169576585.db2.gz GIKWGTAFOQXMCE-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CC1(C)[C@H]2C[N@@H+](CCCC[NH3+])C[C@H]21 379500272 1169586567 /nfs/dbraw/zinc/58/65/67/1169586567.db2.gz CKKMVMNPEKRPKU-AOOOYVTPSA-N 2 1 182.311 1.313 10 0 ADAEMP [NH3+]CCCC[N@H+]1C[C@H]2CCCC[C@H]2C1 381774813 1169596067 /nfs/dbraw/zinc/59/60/67/1169596067.db2.gz AEIQFQRCHVMCQP-TXEJJXNPSA-N 2 1 196.338 1.847 10 0 ADAEMP CC/C=C\CC[N@H+]1CCC[NH2+]CC1 383823520 1169604832 /nfs/dbraw/zinc/60/48/32/1169604832.db2.gz JYYAFRKYUJCUDZ-ARJAWSKDSA-N 2 1 182.311 1.638 10 0 ADAEMP C[N@H+](CCCC[NH3+])Cc1nccs1 387190999 1169617614 /nfs/dbraw/zinc/61/76/14/1169617614.db2.gz AMLPPCCOJXXDNC-UHFFFAOYSA-N 2 1 199.323 1.314 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1nccs1 387190999 1169617618 /nfs/dbraw/zinc/61/76/18/1169617618.db2.gz AMLPPCCOJXXDNC-UHFFFAOYSA-N 2 1 199.323 1.314 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CCC1CC1 388523938 1169627548 /nfs/dbraw/zinc/62/75/48/1169627548.db2.gz YTPFIVFRAKOYKJ-UHFFFAOYSA-N 2 1 170.300 1.457 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@@H+](CCC2CC2)C1 389339924 1169638563 /nfs/dbraw/zinc/63/85/63/1169638563.db2.gz XWCYZXQDUXXIFW-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP CCC(CC)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 389736677 1169638807 /nfs/dbraw/zinc/63/88/07/1169638807.db2.gz VHMSVBJWIZRGBX-MWLCHTKSSA-N 2 1 184.327 1.763 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@@H+](CCC2CC2)C1 389339923 1169639313 /nfs/dbraw/zinc/63/93/13/1169639313.db2.gz XWCYZXQDUXXIFW-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP CC(C)[NH2+]CCC[NH+]1CCC1 393558812 1169643073 /nfs/dbraw/zinc/64/30/73/1169643073.db2.gz HTEJMTSIHLIKBZ-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP CC/C=C\CC[N@@H+]1CC[C@H]([NH3+])C1 394929007 1169649941 /nfs/dbraw/zinc/64/99/41/1169649941.db2.gz AMPIDVHVGFXFFI-XOULXFPDSA-N 2 1 168.284 1.376 10 0 ADAEMP CC/C=C\CC[N@H+]1CC[C@H]([NH3+])C1 394929007 1169649944 /nfs/dbraw/zinc/64/99/44/1169649944.db2.gz AMPIDVHVGFXFFI-XOULXFPDSA-N 2 1 168.284 1.376 10 0 ADAEMP CCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 394641013 1169650127 /nfs/dbraw/zinc/65/01/27/1169650127.db2.gz UYSMBAZGGMPIMG-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC/C=C\CC[N@@H+]1CC[C@@H]([NH3+])C1 394929005 1169650725 /nfs/dbraw/zinc/65/07/25/1169650725.db2.gz AMPIDVHVGFXFFI-UMBAGQNISA-N 2 1 168.284 1.376 10 0 ADAEMP CC/C=C\CC[N@H+]1CC[C@@H]([NH3+])C1 394929005 1169650731 /nfs/dbraw/zinc/65/07/31/1169650731.db2.gz AMPIDVHVGFXFFI-UMBAGQNISA-N 2 1 168.284 1.376 10 0 ADAEMP CCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C 394600680 1169651196 /nfs/dbraw/zinc/65/11/96/1169651196.db2.gz CZARKTNASMLFGC-HBNTYKKESA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)CCCCOC 397239435 1169661270 /nfs/dbraw/zinc/66/12/70/1169661270.db2.gz ZZIUGTKIUFGBJH-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CCC2CC2)C[NH2+]1 399067481 1169669534 /nfs/dbraw/zinc/66/95/34/1169669534.db2.gz BXQHEVPEGVCCJY-ONGXEEELSA-N 2 1 182.311 1.517 10 0 ADAEMP CSCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399130525 1169669638 /nfs/dbraw/zinc/66/96/38/1169669638.db2.gz WTLKNTGRXOEJIS-IUCAKERBSA-N 2 1 188.340 1.080 10 0 ADAEMP CCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399066552 1169670599 /nfs/dbraw/zinc/67/05/99/1169670599.db2.gz BSQFKYTVBDLSHC-NXEZZACHSA-N 2 1 170.300 1.517 10 0 ADAEMP CCCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399113972 1169670692 /nfs/dbraw/zinc/67/06/92/1169670692.db2.gz LWXVRXOTTWEJSP-QWRGUYRKSA-N 2 1 184.327 1.907 10 0 ADAEMP CCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399066554 1169670734 /nfs/dbraw/zinc/67/07/34/1169670734.db2.gz BSQFKYTVBDLSHC-VHSXEESVSA-N 2 1 170.300 1.517 10 0 ADAEMP CSCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399130522 1169670924 /nfs/dbraw/zinc/67/09/24/1169670924.db2.gz WTLKNTGRXOEJIS-BDAKNGLRSA-N 2 1 188.340 1.080 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]CCC2CCC2)C[NH2+]1 399238267 1169671261 /nfs/dbraw/zinc/67/12/61/1169671261.db2.gz SMPAWRZPRKNVTL-PWSUYJOCSA-N 2 1 196.338 1.907 10 0 ADAEMP CSCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399130526 1169671242 /nfs/dbraw/zinc/67/12/42/1169671242.db2.gz WTLKNTGRXOEJIS-RKDXNWHRSA-N 2 1 188.340 1.080 10 0 ADAEMP CCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399066556 1169671328 /nfs/dbraw/zinc/67/13/28/1169671328.db2.gz BSQFKYTVBDLSHC-ZJUUUORDSA-N 2 1 170.300 1.517 10 0 ADAEMP CCCCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399113962 1169671488 /nfs/dbraw/zinc/67/14/88/1169671488.db2.gz LWXVRXOTTWEJSP-MNOVXSKESA-N 2 1 184.327 1.907 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CCC2CC2)C[NH2+]1 399067478 1169671643 /nfs/dbraw/zinc/67/16/43/1169671643.db2.gz BXQHEVPEGVCCJY-GXSJLCMTSA-N 2 1 182.311 1.517 10 0 ADAEMP CSCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399130523 1169671827 /nfs/dbraw/zinc/67/18/27/1169671827.db2.gz WTLKNTGRXOEJIS-DTWKUNHWSA-N 2 1 188.340 1.080 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]CCC2CC2)C[NH2+]1 399067479 1169671861 /nfs/dbraw/zinc/67/18/61/1169671861.db2.gz BXQHEVPEGVCCJY-KOLCDFICSA-N 2 1 182.311 1.517 10 0 ADAEMP CCCCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399113982 1169672080 /nfs/dbraw/zinc/67/20/80/1169672080.db2.gz LWXVRXOTTWEJSP-WDEREUQCSA-N 2 1 184.327 1.907 10 0 ADAEMP CCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399066553 1169672124 /nfs/dbraw/zinc/67/21/24/1169672124.db2.gz BSQFKYTVBDLSHC-UWVGGRQHSA-N 2 1 170.300 1.517 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]CCC2CC2)C[NH2+]1 399067480 1169672358 /nfs/dbraw/zinc/67/23/58/1169672358.db2.gz BXQHEVPEGVCCJY-MWLCHTKSSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]CCC2CCC2)C[NH2+]1 399238268 1169672458 /nfs/dbraw/zinc/67/24/58/1169672458.db2.gz SMPAWRZPRKNVTL-ZYHUDNBSSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CCC2CCC2)C[NH2+]1 399238266 1169672657 /nfs/dbraw/zinc/67/26/57/1169672657.db2.gz SMPAWRZPRKNVTL-JQWIXIFHSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CCC2CCC2)C[NH2+]1 399238265 1169672672 /nfs/dbraw/zinc/67/26/72/1169672672.db2.gz SMPAWRZPRKNVTL-CMPLNLGQSA-N 2 1 196.338 1.907 10 0 ADAEMP CCCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399113954 1169672716 /nfs/dbraw/zinc/67/27/16/1169672716.db2.gz LWXVRXOTTWEJSP-GHMZBOCLSA-N 2 1 184.327 1.907 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC2(CC2)C1 400268342 1169674210 /nfs/dbraw/zinc/67/42/10/1169674210.db2.gz BYLAAADCVFWNSD-UHFFFAOYSA-N 2 1 168.284 1.211 10 0 ADAEMP CC(C)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 503730714 1169685797 /nfs/dbraw/zinc/68/57/97/1169685797.db2.gz SBXPECHSCRGGQS-VHSXEESVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 503730714 1169685799 /nfs/dbraw/zinc/68/57/99/1169685799.db2.gz SBXPECHSCRGGQS-VHSXEESVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 503730713 1169686259 /nfs/dbraw/zinc/68/62/59/1169686259.db2.gz SBXPECHSCRGGQS-NXEZZACHSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 503730713 1169686265 /nfs/dbraw/zinc/68/62/65/1169686265.db2.gz SBXPECHSCRGGQS-NXEZZACHSA-N 2 1 168.284 1.079 10 0 ADAEMP C1CCC2(C1)CC[N@@H+]2C1CC[NH2+]CC1 606268372 1169693194 /nfs/dbraw/zinc/69/31/94/1169693194.db2.gz DIPGABDMRFKMDZ-UHFFFAOYSA-N 2 1 194.322 1.757 10 0 ADAEMP C[C@@H]1CCCC[N@H+](C2CC[NH2+]CC2)C1 606272506 1169694760 /nfs/dbraw/zinc/69/47/60/1169694760.db2.gz ZBQWNGLGHJSPPO-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCCC[N@H+](C2CC[NH2+]CC2)C1 606272508 1169695305 /nfs/dbraw/zinc/69/53/05/1169695305.db2.gz ZBQWNGLGHJSPPO-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[N@@H+](CC(C)(C)C)C[C@H]1C[NH3+] 642846285 1169697056 /nfs/dbraw/zinc/69/70/56/1169697056.db2.gz XQNQOAPTYMJNTM-VHSXEESVSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)(C)C[N@H+]1CCC[C@H]([NH3+])CC1 642827742 1169697088 /nfs/dbraw/zinc/69/70/88/1169697088.db2.gz HRPDNFVHXNSUER-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)C[N@H+]1CCC[C@@H]([NH3+])CC1 642827743 1169697529 /nfs/dbraw/zinc/69/75/29/1169697529.db2.gz HRPDNFVHXNSUER-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC1CC(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 700793080 1169701365 /nfs/dbraw/zinc/70/13/65/1169701365.db2.gz GIOWHKVGQUAPAN-RSJDFQLWSA-N 2 1 196.338 1.763 10 0 ADAEMP CC1CC(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 700793078 1169701582 /nfs/dbraw/zinc/70/15/82/1169701582.db2.gz GIOWHKVGQUAPAN-POSLAHMBSA-N 2 1 196.338 1.763 10 0 ADAEMP CC1CC(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 700793082 1169702104 /nfs/dbraw/zinc/70/21/04/1169702104.db2.gz GIOWHKVGQUAPAN-RUJICJSRSA-N 2 1 196.338 1.763 10 0 ADAEMP CC1CC(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 700793077 1169702878 /nfs/dbraw/zinc/70/28/78/1169702878.db2.gz GIOWHKVGQUAPAN-ADPBJBESSA-N 2 1 196.338 1.763 10 0 ADAEMP CCOC(C)(C)C[N@H+](C)C[C@H](C)[NH3+] 702741225 1169703561 /nfs/dbraw/zinc/70/35/61/1169703561.db2.gz CJBHTIGTEUPALH-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CCOC(C)(C)C[N@@H+](C)C[C@H](C)[NH3+] 702741225 1169703569 /nfs/dbraw/zinc/70/35/69/1169703569.db2.gz CJBHTIGTEUPALH-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP F[C@@H]1CC[N@@H+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 701694090 1169704477 /nfs/dbraw/zinc/70/44/77/1169704477.db2.gz SZOAQFFTUOZRJV-NFLHVTIKSA-N 2 1 198.285 1.313 10 0 ADAEMP F[C@@H]1CC[N@H+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 701694090 1169704484 /nfs/dbraw/zinc/70/44/84/1169704484.db2.gz SZOAQFFTUOZRJV-NFLHVTIKSA-N 2 1 198.285 1.313 10 0 ADAEMP CC1(C)CC(C[NH2+][C@H]2CCC[NH2+]C2)C1 701685109 1169704795 /nfs/dbraw/zinc/70/47/95/1169704795.db2.gz WKRBFVSQAXXPOD-NSHDSACASA-N 2 1 196.338 1.764 10 0 ADAEMP F[C@H]1CC[N@@H+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 701694088 1169705048 /nfs/dbraw/zinc/70/50/48/1169705048.db2.gz SZOAQFFTUOZRJV-GKDVJIACSA-N 2 1 198.285 1.313 10 0 ADAEMP F[C@H]1CC[N@H+](C2C[C@@H]3CC[C@H](C2)[NH2+]3)C1 701694088 1169705055 /nfs/dbraw/zinc/70/50/55/1169705055.db2.gz SZOAQFFTUOZRJV-GKDVJIACSA-N 2 1 198.285 1.313 10 0 ADAEMP CC1(C)CC(C[NH2+][C@@H]2CCC[NH2+]C2)C1 701685108 1169705399 /nfs/dbraw/zinc/70/53/99/1169705399.db2.gz WKRBFVSQAXXPOD-LLVKDONJSA-N 2 1 196.338 1.764 10 0 ADAEMP C[C@@H]1CCCC[N@@H+](CCCC[NH3+])C1 705533844 1169707537 /nfs/dbraw/zinc/70/75/37/1169707537.db2.gz GCNJQDFAFHCMKD-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H](C[NH3+])C1 705213898 1169707844 /nfs/dbraw/zinc/70/78/44/1169707844.db2.gz UAWFULZBSZEFMW-IJLUTSLNSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H](C[NH3+])C1 705213901 1169707934 /nfs/dbraw/zinc/70/79/34/1169707934.db2.gz UAWFULZBSZEFMW-UTUOFQBUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1CCCC[N@@H+](CCCC[NH3+])C1 705533850 1169708476 /nfs/dbraw/zinc/70/84/76/1169708476.db2.gz GCNJQDFAFHCMKD-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H](C[NH3+])C1 705213903 1169708614 /nfs/dbraw/zinc/70/86/14/1169708614.db2.gz UAWFULZBSZEFMW-WOPDTQHZSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H](C[NH3+])C1 705213893 1169708998 /nfs/dbraw/zinc/70/89/98/1169708998.db2.gz UAWFULZBSZEFMW-GRYCIOLGSA-N 2 1 196.338 1.703 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC12CCCC2 707671106 1169717850 /nfs/dbraw/zinc/71/78/50/1169717850.db2.gz YDJFLKADRYBBDJ-UHFFFAOYSA-N 2 1 182.311 1.744 10 0 ADAEMP C1C[NH2+]C[C@H]([NH+]2CCC3(CC2)CC3)C1 707107318 1169718238 /nfs/dbraw/zinc/71/82/38/1169718238.db2.gz OARYZEZMZJROHW-LLVKDONJSA-N 2 1 194.322 1.614 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CCC23CCCC3)C1 707639461 1169718479 /nfs/dbraw/zinc/71/84/79/1169718479.db2.gz FAVOHHMYJQWAKU-LLVKDONJSA-N 2 1 194.322 1.757 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CCC23CCCC3)C1 707639461 1169718482 /nfs/dbraw/zinc/71/84/82/1169718482.db2.gz FAVOHHMYJQWAKU-LLVKDONJSA-N 2 1 194.322 1.757 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@@H+]2CCC23CCCC3)C1 707639462 1169719129 /nfs/dbraw/zinc/71/91/29/1169719129.db2.gz FAVOHHMYJQWAKU-NSHDSACASA-N 2 1 194.322 1.757 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@H+]2CCC23CCCC3)C1 707639462 1169719136 /nfs/dbraw/zinc/71/91/36/1169719136.db2.gz FAVOHHMYJQWAKU-NSHDSACASA-N 2 1 194.322 1.757 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH+]2CCC3(CC2)CC3)C1 707107320 1169719477 /nfs/dbraw/zinc/71/94/77/1169719477.db2.gz OARYZEZMZJROHW-NSHDSACASA-N 2 1 194.322 1.614 10 0 ADAEMP C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1C[NH3+] 708887504 1169720036 /nfs/dbraw/zinc/72/00/36/1169720036.db2.gz XYOPBGWDSXVWBS-VHSXEESVSA-N 2 1 194.278 1.306 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 708876285 1169720196 /nfs/dbraw/zinc/72/01/96/1169720196.db2.gz GQKUFVVOFVJFDJ-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCC2)C[C@H]1C[NH3+] 708876289 1169720560 /nfs/dbraw/zinc/72/05/60/1169720560.db2.gz GSKMPTDWQBCVSC-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC(CC)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 708879051 1169721767 /nfs/dbraw/zinc/72/17/67/1169721767.db2.gz YJBQKVPBUKAOBE-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[N@@H+](Cc2ccoc2)C[C@H]1C[NH3+] 708887741 1169721937 /nfs/dbraw/zinc/72/19/37/1169721937.db2.gz YIZHAHGMOVJFDD-GXSJLCMTSA-N 2 1 194.278 1.306 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCCC2)C[C@H]1C[NH3+] 708885993 1169722351 /nfs/dbraw/zinc/72/23/51/1169722351.db2.gz KDWIMAPKVOEBSM-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2C[C@H](C)[C@H](C[NH3+])C2)C1 708864186 1169723020 /nfs/dbraw/zinc/72/30/20/1169723020.db2.gz XLWHEFVAZRIUIF-KXNHARMFSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CC2)C[C@H]1C[NH3+] 708877683 1169723150 /nfs/dbraw/zinc/72/31/50/1169723150.db2.gz QYHWOQJCINLJRM-GXSJLCMTSA-N 2 1 182.311 1.313 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](C2CCC3(CC2)CC3)C1 710000226 1169726328 /nfs/dbraw/zinc/72/63/28/1169726328.db2.gz YRFGDTNSOVDILD-JTQLQIEISA-N 2 1 194.322 1.742 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](C2CCC3(CC2)CC3)C1 710000226 1169726334 /nfs/dbraw/zinc/72/63/34/1169726334.db2.gz YRFGDTNSOVDILD-JTQLQIEISA-N 2 1 194.322 1.742 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCC2)CC[NH2+]1 709459831 1169726634 /nfs/dbraw/zinc/72/66/34/1169726634.db2.gz BGVNIRDGZPVAJQ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C2CCC3(CC2)CC3)C1 710000230 1169726745 /nfs/dbraw/zinc/72/67/45/1169726745.db2.gz YRFGDTNSOVDILD-SNVBAGLBSA-N 2 1 194.322 1.742 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C2CCC3(CC2)CC3)C1 710000230 1169726756 /nfs/dbraw/zinc/72/67/56/1169726756.db2.gz YRFGDTNSOVDILD-SNVBAGLBSA-N 2 1 194.322 1.742 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+](C)CC2CCC2)CC[NH2+]1 709459828 1169726877 /nfs/dbraw/zinc/72/68/77/1169726877.db2.gz BGVNIRDGZPVAJQ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+]Cc2ccoc2)CC[NH2+]1 709384435 1169727197 /nfs/dbraw/zinc/72/71/97/1169727197.db2.gz IOBRQEQFFRPKMU-ONGXEEELSA-N 2 1 194.278 1.510 10 0 ADAEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccoc2)CC[NH2+]1 709384428 1169727494 /nfs/dbraw/zinc/72/74/94/1169727494.db2.gz IOBRQEQFFRPKMU-KOLCDFICSA-N 2 1 194.278 1.510 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCC2)CC[NH2+]1 709459834 1169727840 /nfs/dbraw/zinc/72/78/40/1169727840.db2.gz BGVNIRDGZPVAJQ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@H]([NH2+]Cc2ccoc2)CC[NH2+]1 709384426 1169728250 /nfs/dbraw/zinc/72/82/50/1169728250.db2.gz IOBRQEQFFRPKMU-GXSJLCMTSA-N 2 1 194.278 1.510 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCC2)CC[NH2+]1 709459836 1169728409 /nfs/dbraw/zinc/72/84/09/1169728409.db2.gz BGVNIRDGZPVAJQ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+]Cc2ccoc2)CC[NH2+]1 709384431 1169728597 /nfs/dbraw/zinc/72/85/97/1169728597.db2.gz IOBRQEQFFRPKMU-MWLCHTKSSA-N 2 1 194.278 1.510 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@H](CF)C1 711465405 1169729746 /nfs/dbraw/zinc/72/97/46/1169729746.db2.gz MUTWONVSZLAYEL-SNVBAGLBSA-N 2 1 188.290 1.407 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@@H](CF)C1 711465404 1169730735 /nfs/dbraw/zinc/73/07/35/1169730735.db2.gz MUTWONVSZLAYEL-JTQLQIEISA-N 2 1 188.290 1.407 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@H]2C[C@H]2C2CC2)C1 716573358 1169742370 /nfs/dbraw/zinc/74/23/70/1169742370.db2.gz WXEPGZSKZCDTFP-VWYCJHECSA-N 2 1 180.295 1.127 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)C1 716573351 1169742855 /nfs/dbraw/zinc/74/28/55/1169742855.db2.gz WXEPGZSKZCDTFP-GMTAPVOTSA-N 2 1 180.295 1.127 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)C1 716573354 1169743122 /nfs/dbraw/zinc/74/31/22/1169743122.db2.gz WXEPGZSKZCDTFP-MXWKQRLJSA-N 2 1 180.295 1.127 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@H]2C2CC2)C1 716573356 1169743456 /nfs/dbraw/zinc/74/34/56/1169743456.db2.gz WXEPGZSKZCDTFP-OUAUKWLOSA-N 2 1 180.295 1.127 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C2CC2)C[NH2+]1 716644912 1169744058 /nfs/dbraw/zinc/74/40/58/1169744058.db2.gz LKZAKAURGRZCOA-KLHWPWHYSA-N 2 1 194.322 1.515 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H]2C[C@H]2[NH3+])C1 719338088 1169752960 /nfs/dbraw/zinc/75/29/60/1169752960.db2.gz SXALXLUMLHZXTG-ZKKRXERASA-N 2 1 182.311 1.500 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CCC3)C[NH2+]1 721235381 1169757493 /nfs/dbraw/zinc/75/74/93/1169757493.db2.gz PDRKVSNSQHFWIY-OUAUKWLOSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CCC3)C[NH2+]1 721235376 1169757718 /nfs/dbraw/zinc/75/77/18/1169757718.db2.gz PDRKVSNSQHFWIY-GMTAPVOTSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CCC3)C[NH2+]1 721235378 1169758637 /nfs/dbraw/zinc/75/86/37/1169758637.db2.gz PDRKVSNSQHFWIY-MXWKQRLJSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CCC3)C[NH2+]1 721235383 1169759345 /nfs/dbraw/zinc/75/93/45/1169759345.db2.gz PDRKVSNSQHFWIY-VWYCJHECSA-N 2 1 194.322 1.659 10 0 ADAEMP C[NH+]1CCC([NH2+][C@H]2CC23CCC3)CC1 721283687 1169762001 /nfs/dbraw/zinc/76/20/01/1169762001.db2.gz VHLONGYJFMHDTE-NSHDSACASA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH+]1CCC([NH2+][C@@H]2CC23CCC3)CC1 721283686 1169762400 /nfs/dbraw/zinc/76/24/00/1169762400.db2.gz VHLONGYJFMHDTE-LLVKDONJSA-N 2 1 194.322 1.613 10 0 ADAEMP C[N@@H+](CCCC[NH3+])C[C@@H]1CC1(C)C 722692818 1169763562 /nfs/dbraw/zinc/76/35/62/1169763562.db2.gz SXMQXWJYTTVAGG-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH3+])CC1 722683901 1169763609 /nfs/dbraw/zinc/76/36/09/1169763609.db2.gz RMWJIKAJEOUVJS-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](CCCC[NH3+])C[C@H]1CC1(C)C 722692819 1169763910 /nfs/dbraw/zinc/76/39/10/1169763910.db2.gz SXMQXWJYTTVAGG-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH3+])CC1 722683899 1169764487 /nfs/dbraw/zinc/76/44/87/1169764487.db2.gz RMWJIKAJEOUVJS-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH3+])CC1 722683897 1169765374 /nfs/dbraw/zinc/76/53/74/1169765374.db2.gz RMWJIKAJEOUVJS-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](C[C@H]1CC1(C)C)C1CC[NH2+]CC1 722676725 1169765615 /nfs/dbraw/zinc/76/56/15/1169765615.db2.gz ARSCTANNAGMKHY-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])CC1 722683896 1169765920 /nfs/dbraw/zinc/76/59/20/1169765920.db2.gz RMWJIKAJEOUVJS-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](C[C@@H]1CC1(C)C)C1CC[NH2+]CC1 722676723 1169766032 /nfs/dbraw/zinc/76/60/32/1169766032.db2.gz ARSCTANNAGMKHY-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723469516 1169767417 /nfs/dbraw/zinc/76/74/17/1169767417.db2.gz AXFCRTKXJRTXGJ-OPRDCNLKSA-N 2 1 170.300 1.454 10 0 ADAEMP CCCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723480016 1169767983 /nfs/dbraw/zinc/76/79/83/1169767983.db2.gz UYSMBAZGGMPIMG-GMTAPVOTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 723466443 1169768652 /nfs/dbraw/zinc/76/86/52/1169768652.db2.gz PHOHVAMRRIVPHW-WRWGMCAJSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 723466442 1169768868 /nfs/dbraw/zinc/76/88/68/1169768868.db2.gz PHOHVAMRRIVPHW-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 723466441 1169770629 /nfs/dbraw/zinc/77/06/29/1169770629.db2.gz PHOHVAMRRIVPHW-DDHJBXDOSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 1254515670 1169880092 /nfs/dbraw/zinc/88/00/92/1169880092.db2.gz ANYUDXQLQVNEKE-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCC[NH+](C)CC1 1254515885 1169878157 /nfs/dbraw/zinc/87/81/57/1169878157.db2.gz GDSCYLOVVGLCMC-NSHDSACASA-N 2 1 184.327 1.811 10 0 ADAEMP CC(C)[NH+](C)[C@H]1CCC[N@H+](C)CC1 1254515885 1169878165 /nfs/dbraw/zinc/87/81/65/1169878165.db2.gz GDSCYLOVVGLCMC-NSHDSACASA-N 2 1 184.327 1.811 10 0 ADAEMP CC(C)[NH+](C)[C@H]1CCC[N@@H+](C)CC1 1254515885 1169878174 /nfs/dbraw/zinc/87/81/74/1169878174.db2.gz GDSCYLOVVGLCMC-NSHDSACASA-N 2 1 184.327 1.811 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 1254515884 1169879735 /nfs/dbraw/zinc/87/97/35/1169879735.db2.gz GDSCYLOVVGLCMC-LLVKDONJSA-N 2 1 184.327 1.811 10 0 ADAEMP CC(C)[NH+](C)[C@@H]1CCC[N@H+](C)CC1 1254515884 1169879741 /nfs/dbraw/zinc/87/97/41/1169879741.db2.gz GDSCYLOVVGLCMC-LLVKDONJSA-N 2 1 184.327 1.811 10 0 ADAEMP CC(C)[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 1254515884 1169879749 /nfs/dbraw/zinc/87/97/49/1169879749.db2.gz GDSCYLOVVGLCMC-LLVKDONJSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[NH+](C)CC1 1254515671 1169879823 /nfs/dbraw/zinc/87/98/23/1169879823.db2.gz ANYUDXQLQVNEKE-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CCC[NH+](C)[C@H]1CCC[N@H+](C)CC1 1254515671 1169879827 /nfs/dbraw/zinc/87/98/27/1169879827.db2.gz ANYUDXQLQVNEKE-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CCC[NH+](C)[C@H]1CCC[N@@H+](C)CC1 1254515671 1169879836 /nfs/dbraw/zinc/87/98/36/1169879836.db2.gz ANYUDXQLQVNEKE-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CCC[NH+](C)[C@@H]1CCC[N@H+](C)CC1 1254515670 1169880097 /nfs/dbraw/zinc/88/00/97/1169880097.db2.gz ANYUDXQLQVNEKE-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CCC[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 1254515670 1169880102 /nfs/dbraw/zinc/88/01/02/1169880102.db2.gz ANYUDXQLQVNEKE-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC[NH+](C)CC1 1254515779 1169880748 /nfs/dbraw/zinc/88/07/48/1169880748.db2.gz CPRQVADRKRNWEC-SNVBAGLBSA-N 2 1 170.300 1.422 10 0 ADAEMP CC[NH+](C)[C@@H]1CCC[N@H+](C)CC1 1254515779 1169880754 /nfs/dbraw/zinc/88/07/54/1169880754.db2.gz CPRQVADRKRNWEC-SNVBAGLBSA-N 2 1 170.300 1.422 10 0 ADAEMP CC[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 1254515779 1169880763 /nfs/dbraw/zinc/88/07/63/1169880763.db2.gz CPRQVADRKRNWEC-SNVBAGLBSA-N 2 1 170.300 1.422 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[NH+](C)CC1 1254515778 1169883291 /nfs/dbraw/zinc/88/32/91/1169883291.db2.gz CPRQVADRKRNWEC-JTQLQIEISA-N 2 1 170.300 1.422 10 0 ADAEMP CC[NH+](C)[C@H]1CCC[N@H+](C)CC1 1254515778 1169883301 /nfs/dbraw/zinc/88/33/01/1169883301.db2.gz CPRQVADRKRNWEC-JTQLQIEISA-N 2 1 170.300 1.422 10 0 ADAEMP CC[NH+](C)[C@H]1CCC[N@@H+](C)CC1 1254515778 1169883307 /nfs/dbraw/zinc/88/33/07/1169883307.db2.gz CPRQVADRKRNWEC-JTQLQIEISA-N 2 1 170.300 1.422 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 157892844 566269468 /nfs/dbraw/zinc/26/94/68/566269468.db2.gz UHTMFXZUMXAMPO-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[C@H](C2=C[C@@H]([NH3+])C[NH2+]C2)C1 675078753 566310744 /nfs/dbraw/zinc/31/07/44/566310744.db2.gz SBGNYVIYKLGFGU-JFGNBEQYSA-N 2 1 194.322 1.670 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1C1=C[C@H]([NH3+])C[NH2+]C1 675079321 566310765 /nfs/dbraw/zinc/31/07/65/566310765.db2.gz XOOXNVJYXZLMDW-USWWRNFRSA-N 2 1 194.322 1.670 10 0 ADAEMP CC(C)C(C)(C)CC1=C[C@H]([NH3+])C[NH2+]C1 675078797 566310827 /nfs/dbraw/zinc/31/08/27/566310827.db2.gz SQOGMKFCJCSJDK-NSHDSACASA-N 2 1 196.338 1.916 10 0 ADAEMP CC(C)CCC1=C[C@@H]([NH3+])C[NH2+]C1 675079090 566311137 /nfs/dbraw/zinc/31/11/37/566311137.db2.gz VWXXGWRRIRFCGO-SNVBAGLBSA-N 2 1 168.284 1.280 10 0 ADAEMP CCCCC1=C[C@H]([NH3+])C[NH2+]C1 675078802 566311253 /nfs/dbraw/zinc/31/12/53/566311253.db2.gz SUQHRHAELVZBME-VIFPVBQESA-N 2 1 154.257 1.034 10 0 ADAEMP CCCCC1=C[C@@H]([NH3+])C[NH2+]C1 675078801 566311426 /nfs/dbraw/zinc/31/14/26/566311426.db2.gz SUQHRHAELVZBME-SECBINFHSA-N 2 1 154.257 1.034 10 0 ADAEMP [NH3+][C@H]1C=C(C2CC3(CCC3)C2)C[NH2+]C1 675078696 566311528 /nfs/dbraw/zinc/31/15/28/566311528.db2.gz RKGMNQCTSOFILF-NSHDSACASA-N 2 1 192.306 1.424 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1C1=C[C@@H]([NH3+])C[NH2+]C1 675079319 566311573 /nfs/dbraw/zinc/31/15/73/566311573.db2.gz XOOXNVJYXZLMDW-JLLWLGSASA-N 2 1 194.322 1.670 10 0 ADAEMP CCC[C@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675079117 566311757 /nfs/dbraw/zinc/31/17/57/566311757.db2.gz WPEVIXDTTAVAES-WPRPVWTQSA-N 2 1 168.284 1.280 10 0 ADAEMP C[C@@H]1CCC[C@@H](C2=C[C@H]([NH3+])C[NH2+]C2)C1 675078752 566311808 /nfs/dbraw/zinc/31/18/08/566311808.db2.gz SBGNYVIYKLGFGU-FOGDFJRCSA-N 2 1 194.322 1.670 10 0 ADAEMP C[C@@H]1CCCC[C@H]1C1=C[C@@H]([NH3+])C[NH2+]C1 675079323 566311914 /nfs/dbraw/zinc/31/19/14/566311914.db2.gz XOOXNVJYXZLMDW-YUSALJHKSA-N 2 1 194.322 1.670 10 0 ADAEMP CCC[C@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675079116 566312265 /nfs/dbraw/zinc/31/22/65/566312265.db2.gz WPEVIXDTTAVAES-WCBMZHEXSA-N 2 1 168.284 1.280 10 0 ADAEMP [NH3+][C@H]1C=C(CC2CCCCC2)C[NH2+]C1 675079096 566312312 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/nfs/dbraw/zinc/31/31/05/566313105.db2.gz WARGHBVCQGAEJO-GFCCVEGCSA-N 2 1 194.322 1.814 10 0 ADAEMP CC(C)CCC1=C[C@H]([NH3+])C[NH2+]C1 675079089 566313238 /nfs/dbraw/zinc/31/32/38/566313238.db2.gz VWXXGWRRIRFCGO-JTQLQIEISA-N 2 1 168.284 1.280 10 0 ADAEMP CCC[C@@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675079114 566313384 /nfs/dbraw/zinc/31/33/84/566313384.db2.gz WPEVIXDTTAVAES-PSASIEDQSA-N 2 1 168.284 1.280 10 0 ADAEMP C[C@@H]1CCC[C@H](C2=C[C@H]([NH3+])C[NH2+]C2)C1 675078755 566313455 /nfs/dbraw/zinc/31/34/55/566313455.db2.gz SBGNYVIYKLGFGU-SCVCMEIPSA-N 2 1 194.322 1.670 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1257438803 1170025642 /nfs/dbraw/zinc/02/56/42/1170025642.db2.gz ANBGTQHAGDPOLX-TUAOUCFPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 1257438803 1170025649 /nfs/dbraw/zinc/02/56/49/1170025649.db2.gz ANBGTQHAGDPOLX-TUAOUCFPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 1257438803 1170025656 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/nfs/dbraw/zinc/67/29/67/571672967.db2.gz MTYKCPJECZFIJN-ZYXZCXLHSA-N 2 1 194.322 1.611 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CC2)C12CC(C)C2 712072914 571672969 /nfs/dbraw/zinc/67/29/69/571672969.db2.gz MTYKCPJECZFIJN-ZYXZCXLHSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CC[C@H](C)C1 51249968 571673361 /nfs/dbraw/zinc/67/33/61/571673361.db2.gz DWDAKFYZMJUMIZ-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 8226853 571673374 /nfs/dbraw/zinc/67/33/74/571673374.db2.gz FCLWWEJGYXKYBU-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@]2([NH3+])C[C@@H]2C2CC2)C1 213809800 571673715 /nfs/dbraw/zinc/67/37/15/571673715.db2.gz LOTXQVBFGFFDCM-QJPTWQEYSA-N 2 1 194.322 1.456 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+]1CC=CCC1 393377934 571675011 /nfs/dbraw/zinc/67/50/11/571675011.db2.gz YNEKUKIPIRUVNH-LLVKDONJSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[C@H](C)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 53031667 571675964 /nfs/dbraw/zinc/67/59/64/571675964.db2.gz PLNSHEABCRFVPK-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[C@H]1[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 53035232 571676006 /nfs/dbraw/zinc/67/60/06/571676006.db2.gz VYWQXJDSMRUZDN-CKYFFXLPSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H](CC[NH3+])[C@H]1CCCC[N@H+]1C 213856246 571678573 /nfs/dbraw/zinc/67/85/73/571678573.db2.gz CGWKHNHHJXNXGT-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]([NH3+])[C@H]1CCC[N@@H+](C)CC1 213857930 571676807 /nfs/dbraw/zinc/67/68/07/571676807.db2.gz RQQRLUTVCXBGQJ-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](CC[NH3+])[C@@H]1CCC[N@H+]1C 213856576 571679272 /nfs/dbraw/zinc/67/92/72/571679272.db2.gz PFHUQXBLKSXKGS-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]1CC[N@@H+](C)C1 213858950 571676876 /nfs/dbraw/zinc/67/68/76/571676876.db2.gz KFUQVSDWBLHGHV-UWVGGRQHSA-N 2 1 170.300 1.184 10 0 ADAEMP CCC[N@H+]1[C@H](C)CCNC[C@H]1C 249978182 571676890 /nfs/dbraw/zinc/67/68/90/571676890.db2.gz LUSRGQKTNDCCDH-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]1CC[N@@H+](C)C1 213858894 571676900 /nfs/dbraw/zinc/67/69/00/571676900.db2.gz KFUQVSDWBLHGHV-NXEZZACHSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]1CC[N@@H+](C)C1 213858997 571676996 /nfs/dbraw/zinc/67/69/96/571676996.db2.gz KFUQVSDWBLHGHV-ZJUUUORDSA-N 2 1 170.300 1.184 10 0 ADAEMP CCC[N@H+]1[C@@H](C)CCNC[C@H]1C 249978186 571677004 /nfs/dbraw/zinc/67/70/04/571677004.db2.gz LUSRGQKTNDCCDH-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 53035227 571677026 /nfs/dbraw/zinc/67/70/26/571677026.db2.gz VYWQXJDSMRUZDN-FOGDFJRCSA-N 2 1 194.322 1.469 10 0 ADAEMP CC(C)[C@@H](CC[NH3+])[C@H]1CC[N@H+]1C 213857419 571677089 /nfs/dbraw/zinc/67/70/89/571677089.db2.gz QZPGVLRTEQNQQU-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 53031669 571677090 /nfs/dbraw/zinc/67/70/90/571677090.db2.gz PLNSHEABCRFVPK-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](CC[NH3+])[C@H]1CCCC[N@H+]1C 213856189 571677200 /nfs/dbraw/zinc/67/72/00/571677200.db2.gz CGWKHNHHJXNXGT-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@@H+]1CC=CCC1 393377935 571677222 /nfs/dbraw/zinc/67/72/22/571677222.db2.gz YNEKUKIPIRUVNH-NSHDSACASA-N 2 1 182.311 1.623 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H]1CCC[N@@H+](C)C1 213858755 571677438 /nfs/dbraw/zinc/67/74/38/571677438.db2.gz RWNCWXWVDHSXKA-ZJUUUORDSA-N 2 1 170.300 1.184 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 53011682 571677668 /nfs/dbraw/zinc/67/76/68/571677668.db2.gz GDOTUASFLDPYAB-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](CC[NH3+])[C@H]1CCC[N@H+]1C 213856737 571677525 /nfs/dbraw/zinc/67/75/25/571677525.db2.gz PFHUQXBLKSXKGS-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]([NH3+])[C@H]1CCCCCN1C 213854583 571677582 /nfs/dbraw/zinc/67/75/82/571677582.db2.gz UMDURYZSJIIZDZ-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 213857870 571677598 /nfs/dbraw/zinc/67/75/98/571677598.db2.gz RQQRLUTVCXBGQJ-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CCCC[N@@H+](C)C1 213854328 571677606 /nfs/dbraw/zinc/67/76/06/571677606.db2.gz XSZCDLWPGHFQNB-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[C@H](CC[NH3+])[C@@H]1CC[N@H+]1C 213857360 571677617 /nfs/dbraw/zinc/67/76/17/571677617.db2.gz QZPGVLRTEQNQQU-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)CC1 213857972 571677794 /nfs/dbraw/zinc/67/77/94/571677794.db2.gz RQQRLUTVCXBGQJ-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@@H](CC[NH3+])[C@@H]1CC[N@H+]1C 213857304 571677806 /nfs/dbraw/zinc/67/78/06/571677806.db2.gz QZPGVLRTEQNQQU-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+]CC1([NH+](C)C)CCCC1 21949398 571677944 /nfs/dbraw/zinc/67/79/44/571677944.db2.gz JFMXHJHSMDCMCT-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H](CC[NH3+])[C@@H]1CCCC[N@H+]1C 213856074 571678088 /nfs/dbraw/zinc/67/80/88/571678088.db2.gz CGWKHNHHJXNXGT-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 213857809 571678212 /nfs/dbraw/zinc/67/82/12/571678212.db2.gz RQQRLUTVCXBGQJ-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H]1CCCC[N@@H+](C)C1 213854152 571678214 /nfs/dbraw/zinc/67/82/14/571678214.db2.gz XSZCDLWPGHFQNB-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[C@H](CC[NH3+])[C@H]1CC[N@H+]1C 213857477 571678277 /nfs/dbraw/zinc/67/82/77/571678277.db2.gz QZPGVLRTEQNQQU-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H]([NH3+])[C@@H]1CCCC[N@@H+](C)C1 213853908 571678315 /nfs/dbraw/zinc/67/83/15/571678315.db2.gz SVQDYYCMXMCPCZ-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCNC[C@H](C(C)C)[N@H+]1CC[C@H](C)C1 52484269 571681289 /nfs/dbraw/zinc/68/12/89/571681289.db2.gz AKJZESMYYMJOBQ-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 53031016 571678399 /nfs/dbraw/zinc/67/83/99/571678399.db2.gz URHSHHILMXUPLG-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H]([NH3+])[C@@H]1CCCCCN1C 213854407 571678449 /nfs/dbraw/zinc/67/84/49/571678449.db2.gz UMDURYZSJIIZDZ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[N@@H+](C)CCCC[NH3+] 37097916 571678462 /nfs/dbraw/zinc/67/84/62/571678462.db2.gz XFZLRRPUTKCIIY-UHFFFAOYSA-N 2 1 144.262 1.067 10 0 ADAEMP CC[C@H](C(C)C)[N@H+]1CC[C@H](C[NH2+]C)C1 53031783 571678691 /nfs/dbraw/zinc/67/86/91/571678691.db2.gz UIXBPVAHVRNJBI-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](C)CCCCCC[NH2+]C 70596174 571678700 /nfs/dbraw/zinc/67/87/00/571678700.db2.gz YNPZVTQFSSYUHP-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H]1CCCC[N@@H+](C)C1 213853961 571678703 /nfs/dbraw/zinc/67/87/03/571678703.db2.gz SVQDYYCMXMCPCZ-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](CC[NH3+])[C@H]1CCC[N@H+]1C 213856689 571678717 /nfs/dbraw/zinc/67/87/17/571678717.db2.gz PFHUQXBLKSXKGS-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]([NH3+])[C@H]1CCCCCN1C 213854526 571678756 /nfs/dbraw/zinc/67/87/56/571678756.db2.gz UMDURYZSJIIZDZ-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CCCC[N@@H+](C)C1 213854209 571678773 /nfs/dbraw/zinc/67/87/73/571678773.db2.gz XSZCDLWPGHFQNB-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H](C[NH3+])[C@H]1CCCC[N@@H+](C)C1 213854267 571678794 /nfs/dbraw/zinc/67/87/94/571678794.db2.gz XSZCDLWPGHFQNB-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H]1CCC[N@@H+](C)C1 213858704 571678842 /nfs/dbraw/zinc/67/88/42/571678842.db2.gz RWNCWXWVDHSXKA-UWVGGRQHSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[C@@H]([NH3+])[C@H]1CCCC[N@@H+](C)C1 213854063 571678900 /nfs/dbraw/zinc/67/89/00/571678900.db2.gz SVQDYYCMXMCPCZ-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H]1CCC[N@@H+](C)C1 213858649 571678929 /nfs/dbraw/zinc/67/89/29/571678929.db2.gz RWNCWXWVDHSXKA-NXEZZACHSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[C@H](CC[NH3+])[C@@H]1CCC[N@H+]1C 213856630 571678933 /nfs/dbraw/zinc/67/89/33/571678933.db2.gz PFHUQXBLKSXKGS-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C)CC[C@H](C)[NH3+] 37098254 571678999 /nfs/dbraw/zinc/67/89/99/571678999.db2.gz CYLYNKUOBBUFFQ-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[C@H]([NH3+])[C@H]1CCCC[N@@H+](C)C1 213854011 571679102 /nfs/dbraw/zinc/67/91/02/571679102.db2.gz SVQDYYCMXMCPCZ-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H]1CCC[N@@H+](C)C1 213858592 571679191 /nfs/dbraw/zinc/67/91/91/571679191.db2.gz RWNCWXWVDHSXKA-VHSXEESVSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H]1CCCCCN1C 213854465 571679217 /nfs/dbraw/zinc/67/92/17/571679217.db2.gz UMDURYZSJIIZDZ-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]CCCCCC[N@@H+](C)C1CC1 70596167 571679405 /nfs/dbraw/zinc/67/94/05/571679405.db2.gz UDEBPUNTQDEZTL-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@H+]1CCC[C@H](C)C1 52381163 571679512 /nfs/dbraw/zinc/67/95/12/571679512.db2.gz ANDHYXFCFJGRMI-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H](C)CCC[NH3+])C1 52381456 571679726 /nfs/dbraw/zinc/67/97/26/571679726.db2.gz QUFJOMXUQXADGS-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H](C)[NH3+] 37098253 571679739 /nfs/dbraw/zinc/67/97/39/571679739.db2.gz CYLYNKUOBBUFFQ-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[NH2+]C[C@@H](C)C[N@H+]1CC[C@H](C)C1 52484336 571679917 /nfs/dbraw/zinc/67/99/17/571679917.db2.gz ZUGHHRQIPUCYNY-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP Cc1[nH+]ccn1CCCCCC[NH3+] 70596390 571679928 /nfs/dbraw/zinc/67/99/28/571679928.db2.gz PEJGFNUQDKHPAD-UHFFFAOYSA-N 2 1 181.283 1.711 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1CC[C@H](C)C1 52484306 571680135 /nfs/dbraw/zinc/68/01/35/571680135.db2.gz BVOZHGGADXBSBS-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+]1CC[C@H](C)C1 52484306 571680140 /nfs/dbraw/zinc/68/01/40/571680140.db2.gz BVOZHGGADXBSBS-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]C[C@H](CC)[N@H+]1CC[C@H](C)C1 52484320 571680216 /nfs/dbraw/zinc/68/02/16/571680216.db2.gz UVUJOFWESDJIEY-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCc1[nH+]ccn1CCCCCC[NH3+] 70596417 571680274 /nfs/dbraw/zinc/68/02/74/571680274.db2.gz ZHUMOAOGSBJJAS-UHFFFAOYSA-N 2 1 195.310 1.965 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+]1CC[C@H](C)C1 52484311 571680465 /nfs/dbraw/zinc/68/04/65/571680465.db2.gz RGMHUYOSCQIJHZ-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+]1CC[C@H](C)C1 52484311 571680467 /nfs/dbraw/zinc/68/04/67/571680467.db2.gz RGMHUYOSCQIJHZ-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)C[NH2+]C[C@H](C)[N@@H+]1CC[C@H](C)C1 52484317 571680585 /nfs/dbraw/zinc/68/05/85/571680585.db2.gz SBVZKCRKLBBVHA-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[NH2+]C[C@H](C)[N@H+]1CC[C@H](C)C1 52484317 571680589 /nfs/dbraw/zinc/68/05/89/571680589.db2.gz SBVZKCRKLBBVHA-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]CCCCCCn1cc[nH+]c1C 70596388 571680592 /nfs/dbraw/zinc/68/05/92/571680592.db2.gz PWQPONDBRUMQOI-UHFFFAOYSA-N 2 1 195.310 1.971 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@H]1C 52375624 571680676 /nfs/dbraw/zinc/68/06/76/571680676.db2.gz GUQFEOTVLFTJOV-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@H+]1CCC[C@H]1C 52375773 571680805 /nfs/dbraw/zinc/68/08/05/571680805.db2.gz CRNOCDWFZXDBBK-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1C 52373236 571680917 /nfs/dbraw/zinc/68/09/17/571680917.db2.gz KJJFTFOKKQZXAK-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@@H+]1CC[C@H](C)C1 52484309 571681183 /nfs/dbraw/zinc/68/11/83/571681183.db2.gz FBJCURVJJNLHSF-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@H+]1CC[C@H](C)C1 52484309 571681186 /nfs/dbraw/zinc/68/11/86/571681186.db2.gz FBJCURVJJNLHSF-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCNC[C@H](C(C)C)[N@@H+]1CC[C@H](C)C1 52484269 571681286 /nfs/dbraw/zinc/68/12/86/571681286.db2.gz AKJZESMYYMJOBQ-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CCNC[C@@H](C(C)C)[N@@H+]1CC[C@H](C)C1 52484268 571681423 /nfs/dbraw/zinc/68/14/23/571681423.db2.gz AKJZESMYYMJOBQ-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CCNC[C@@H](C(C)C)[N@H+]1CC[C@H](C)C1 52484268 571681427 /nfs/dbraw/zinc/68/14/27/571681427.db2.gz AKJZESMYYMJOBQ-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 52381119 571681720 /nfs/dbraw/zinc/68/17/20/571681720.db2.gz GGPCHQFPIOWKJC-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 52381119 571681722 /nfs/dbraw/zinc/68/17/22/571681722.db2.gz GGPCHQFPIOWKJC-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)C[N@H+]1CCC[C@H](C)C1 52381165 571681845 /nfs/dbraw/zinc/68/18/45/571681845.db2.gz ANDHYXFCFJGRMI-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1C 52373237 571681966 /nfs/dbraw/zinc/68/19/66/571681966.db2.gz KJJFTFOKKQZXAK-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@@H](C)C[NH2+]C2CC2)C1 52484313 571682192 /nfs/dbraw/zinc/68/21/92/571682192.db2.gz QFIJARDKMANOQL-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)C[NH2+]C2CC2)C1 52484313 571682195 /nfs/dbraw/zinc/68/21/95/571682195.db2.gz QFIJARDKMANOQL-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CNC[C@@H](C(C)C)[N@@H+]1CC[C@H](C)C1 52484267 571682289 /nfs/dbraw/zinc/68/22/89/571682289.db2.gz XEBYUSCCCNRAGE-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CNC[C@@H](C(C)C)[N@H+]1CC[C@H](C)C1 52484267 571682291 /nfs/dbraw/zinc/68/22/91/571682291.db2.gz XEBYUSCCCNRAGE-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CNC[C@H](C)[N@H+](C)[C@H](C)C(C)C 52478340 571682354 /nfs/dbraw/zinc/68/23/54/571682354.db2.gz KPCWHFJGJZNXIF-VHSXEESVSA-N 2 1 172.316 1.571 10 0 ADAEMP CNC[C@H](C)[N@@H+](C)[C@H](C)C(C)C 52478340 571682357 /nfs/dbraw/zinc/68/23/57/571682357.db2.gz KPCWHFJGJZNXIF-VHSXEESVSA-N 2 1 172.316 1.571 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CCC[C@H]1CC 52374841 571682454 /nfs/dbraw/zinc/68/24/54/571682454.db2.gz GAAWHTDTYDOPQT-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@H+]1CCC[C@H]1C 52375991 571682477 /nfs/dbraw/zinc/68/24/77/571682477.db2.gz DOXKZLAIRSXASM-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[N@@H+]1CCC[C@H]1C 52375590 571682649 /nfs/dbraw/zinc/68/26/49/571682649.db2.gz TUGKKAYACIQVBI-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[N@H+]1CCC[C@H]1C 52375590 571682652 /nfs/dbraw/zinc/68/26/52/571682652.db2.gz TUGKKAYACIQVBI-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP CNC[C@@H](C(C)C)[N@H+]1CCC[C@H](C)C1 52381061 571682738 /nfs/dbraw/zinc/68/27/38/571682738.db2.gz VLMYWFWCXZKUAK-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CNC[C@@H](C(C)C)[N@@H+]1CCC[C@H](C)C1 52381061 571682732 /nfs/dbraw/zinc/68/27/32/571682732.db2.gz VLMYWFWCXZKUAK-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@H+]1CCC[C@H]1C 52375962 571682809 /nfs/dbraw/zinc/68/28/09/571682809.db2.gz QHLQSUBSWOBWQW-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H]1C 52375587 571682912 /nfs/dbraw/zinc/68/29/12/571682912.db2.gz URZPYFUQARJCCQ-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H]1C 52375587 571682916 /nfs/dbraw/zinc/68/29/16/571682916.db2.gz URZPYFUQARJCCQ-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)CCC[NH3+])C1 52484531 571683117 /nfs/dbraw/zinc/68/31/17/571683117.db2.gz AFGOBLMGSMYTTC-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@@H+]1CC[C@H](C)C1 52484308 571683831 /nfs/dbraw/zinc/68/38/31/571683831.db2.gz FBJCURVJJNLHSF-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@H+]1CC[C@H](C)C1 52484308 571683832 /nfs/dbraw/zinc/68/38/32/571683832.db2.gz FBJCURVJJNLHSF-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@H+]1CC[C@H](C)C1 52484549 571683182 /nfs/dbraw/zinc/68/31/82/571683182.db2.gz GDKBAIXJENPFDU-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+]C[C@H](C)C[N@H+]1CC[C@H](C)C1 52484337 571683220 /nfs/dbraw/zinc/68/32/20/571683220.db2.gz ZUGHHRQIPUCYNY-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](CNC)[N@@H+]1CCC[C@H](C)C1 52381140 571683303 /nfs/dbraw/zinc/68/33/03/571683303.db2.gz YXHQFUQYDHUZFV-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](CNC)[N@H+]1CCC[C@H](C)C1 52381140 571683306 /nfs/dbraw/zinc/68/33/06/571683306.db2.gz YXHQFUQYDHUZFV-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 52381120 571683516 /nfs/dbraw/zinc/68/35/16/571683516.db2.gz GGPCHQFPIOWKJC-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 52381120 571683518 /nfs/dbraw/zinc/68/35/18/571683518.db2.gz GGPCHQFPIOWKJC-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1CC[C@H](C)C1 52484307 571683588 /nfs/dbraw/zinc/68/35/88/571683588.db2.gz BVOZHGGADXBSBS-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CC[C@H](C)C1 52484307 571683591 /nfs/dbraw/zinc/68/35/91/571683591.db2.gz BVOZHGGADXBSBS-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP COC[C@H](C)[N@@H+](C)[C@H](C)CCC[NH3+] 52511741 571683615 /nfs/dbraw/zinc/68/36/15/571683615.db2.gz VYSXISKHNIJINQ-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@H+]1CCCC[C@H]1C 52378896 571683795 /nfs/dbraw/zinc/68/37/95/571683795.db2.gz UEKSAUVPVYVWBT-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP [NH3+]CC[C@H]1CC[N@@H+]1CCC(F)(F)F 213926503 571683796 /nfs/dbraw/zinc/68/37/96/571683796.db2.gz KWOAJSRBOIRYMR-ZETCQYMHSA-N 2 1 196.216 1.362 10 0 ADAEMP [NH3+]CC[C@H]1CC[N@H+]1CCC(F)(F)F 213926503 571683799 /nfs/dbraw/zinc/68/37/99/571683799.db2.gz KWOAJSRBOIRYMR-ZETCQYMHSA-N 2 1 196.216 1.362 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)C[N@H+]1CCC[C@H]1C 52375637 571683821 /nfs/dbraw/zinc/68/38/21/571683821.db2.gz BABRELKTURHDTO-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)C[N@H+]1CC[C@H](C)C1 52484339 571683933 /nfs/dbraw/zinc/68/39/33/571683933.db2.gz NSDDGMCGDMMDDM-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](CNC)[N@@H+]1CCC[C@H](C)C1 52381138 571684006 /nfs/dbraw/zinc/68/40/06/571684006.db2.gz YXHQFUQYDHUZFV-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](CNC)[N@H+]1CCC[C@H](C)C1 52381138 571684009 /nfs/dbraw/zinc/68/40/09/571684009.db2.gz YXHQFUQYDHUZFV-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+](CCC1(C[NH3+])CC1)C1CC1 213935635 571684427 /nfs/dbraw/zinc/68/44/27/571684427.db2.gz RITCLASHJJGYNU-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)Cc1cn(C)c(CCC[NH3+])[nH+]1 213895635 571685817 /nfs/dbraw/zinc/68/58/17/571685817.db2.gz PMQCNXQHIDCCMZ-UHFFFAOYSA-N 2 1 195.310 1.510 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C 53865176 571684963 /nfs/dbraw/zinc/68/49/63/571684963.db2.gz BEMVKQZBMOIGNJ-WOPDTQHZSA-N 2 1 198.354 1.962 10 0 ADAEMP Cn1c(CCC[NH3+])c[nH+]c1C(C)(C)C 213895288 571685825 /nfs/dbraw/zinc/68/58/25/571685825.db2.gz UQPSJMBMOGZAMV-UHFFFAOYSA-N 2 1 195.310 1.609 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@@H+]1CCC(F)(F)F 213926442 571685183 /nfs/dbraw/zinc/68/51/83/571685183.db2.gz KWOAJSRBOIRYMR-SSDOTTSWSA-N 2 1 196.216 1.362 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]1CCC(F)(F)F 213926442 571685186 /nfs/dbraw/zinc/68/51/86/571685186.db2.gz KWOAJSRBOIRYMR-SSDOTTSWSA-N 2 1 196.216 1.362 10 0 ADAEMP Cc1[nH+]ccn1CC[C@H]1CCC[N@H+]1C 687715385 571685781 /nfs/dbraw/zinc/68/57/81/571685781.db2.gz CYNCUJPVQZRLOV-LLVKDONJSA-N 2 1 193.294 1.676 10 0 ADAEMP Cc1[nH+]ccn1CC[C@H]1CCC[N@@H+]1C 687715385 571685783 /nfs/dbraw/zinc/68/57/83/571685783.db2.gz CYNCUJPVQZRLOV-LLVKDONJSA-N 2 1 193.294 1.676 10 0 ADAEMP CC(C)(C)Cn1c[nH+]cc1CCC[NH3+] 213895804 571686991 /nfs/dbraw/zinc/68/69/91/571686991.db2.gz HEUJIWGFORCWDT-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP CC1CC2(C1)[C@H]([NH3+])CC[N@H+]2C1CC1 712082300 571687313 /nfs/dbraw/zinc/68/73/13/571687313.db2.gz FZJKRWULSFTXJI-LDGBHUKOSA-N 2 1 180.295 1.351 10 0 ADAEMP CC(C)Cc1[nH+]c(CCC[NH3+])cn1C 213895370 571687314 /nfs/dbraw/zinc/68/73/14/571687314.db2.gz YECSXBIXRNWGBW-UHFFFAOYSA-N 2 1 195.310 1.510 10 0 ADAEMP CC(C)(C)Cn1cc[nH+]c1CCC[NH3+] 213895723 571687556 /nfs/dbraw/zinc/68/75/56/571687556.db2.gz CYMLUAIGJGGWSG-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP CC[C@H]1CCC[N@@H+](CCC(N)=[NH2+])CC1 70613602 571687591 /nfs/dbraw/zinc/68/75/91/571687591.db2.gz LHLXFWSRHZJDHW-JTQLQIEISA-N 2 1 197.326 1.825 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCCC[NH3+] 37109521 571687658 /nfs/dbraw/zinc/68/76/58/571687658.db2.gz XTRMZODGCWBVCG-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CC[N@@H+](C)CCC[C@H](C)CC[NH3+] 70610733 571688034 /nfs/dbraw/zinc/68/80/34/571688034.db2.gz BOVIUYBWRCAQRC-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP C[C@H](CC[NH3+])CCC[N@@H+](C)C1CC1 70610736 571688160 /nfs/dbraw/zinc/68/81/60/571688160.db2.gz QBONEFZUMYEAEK-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C1(C[C@@H]2CCC[N@@H+](C)CC2)CC1 213972026 571688691 /nfs/dbraw/zinc/68/86/91/571688691.db2.gz LMGQBFXUQBJATE-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1C[C@]1([NH3+])CC[C@@H]1CCCC[N@H+]1C 213974403 571688820 /nfs/dbraw/zinc/68/88/20/571688820.db2.gz YMADTPILCIFEAA-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](CCC(N)=[NH2+])CC1 70613601 571688888 /nfs/dbraw/zinc/68/88/88/571688888.db2.gz LHLXFWSRHZJDHW-SNVBAGLBSA-N 2 1 197.326 1.825 10 0 ADAEMP C[NH2+]CC[C@H]1C[C@]12CCC[N@@H+](C)CC2 213971941 571689164 /nfs/dbraw/zinc/68/91/64/571689164.db2.gz UBTKNBULMYNELE-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@@H+](C)CCC[C@@H](C)CC[NH3+] 70610732 571689188 /nfs/dbraw/zinc/68/91/88/571689188.db2.gz BOVIUYBWRCAQRC-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP C[NH2+]C1(C[C@H]2CCCC[N@@H+](C)C2)CC1 213972616 571689258 /nfs/dbraw/zinc/68/92/58/571689258.db2.gz DFTPYKBJJLRHAV-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 37110364 571689381 /nfs/dbraw/zinc/68/93/81/571689381.db2.gz VZQITQBTHSADIG-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]C1(CC[C@H]2CCC[N@@H+](C)C2)CC1 213972318 571689615 /nfs/dbraw/zinc/68/96/15/571689615.db2.gz CPKYDFGIDFHADP-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)C1 70557941 571689724 /nfs/dbraw/zinc/68/97/24/571689724.db2.gz GMIIZZULJONUFS-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70557941 571689727 /nfs/dbraw/zinc/68/97/27/571689727.db2.gz GMIIZZULJONUFS-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCCC[NH3+] 37109520 571689746 /nfs/dbraw/zinc/68/97/46/571689746.db2.gz XTRMZODGCWBVCG-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP C[NH2+]C1(C[C@H]2CCC[N@@H+](C)CC2)CC1 213972079 571689787 /nfs/dbraw/zinc/68/97/87/571689787.db2.gz LMGQBFXUQBJATE-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H](CC[NH3+])CCC[N@@H+](C)C1CC1 70610737 571689792 /nfs/dbraw/zinc/68/97/92/571689792.db2.gz QBONEFZUMYEAEK-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1C[C@@]1([NH3+])CC[C@@H]1CCCC[N@H+]1C 213974524 571689796 /nfs/dbraw/zinc/68/97/96/571689796.db2.gz YMADTPILCIFEAA-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]CC[C@@H]1C[C@@]12CCC[N@@H+](C)CC2 213971769 571689858 /nfs/dbraw/zinc/68/98/58/571689858.db2.gz UBTKNBULMYNELE-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[N@H+]1CC[C@@H](CC[C@H](C)[NH3+])C1 250003196 571690024 /nfs/dbraw/zinc/69/00/24/571690024.db2.gz PAOOEGVHOGPFLD-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CC[C@H]1C[C@@]12CCC[N@@H+](C)CC2 213971822 571690183 /nfs/dbraw/zinc/69/01/83/571690183.db2.gz UBTKNBULMYNELE-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]CC[C@@H]1C[C@]12CCC[N@@H+](C)CC2 213971876 571690518 /nfs/dbraw/zinc/69/05/18/571690518.db2.gz UBTKNBULMYNELE-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]C1(CC[C@@H]2CCC[N@@H+](C)C2)CC1 213972267 571690541 /nfs/dbraw/zinc/69/05/41/571690541.db2.gz CPKYDFGIDFHADP-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@@H]1C[C@]1([NH3+])[C@@H]1CCCC[N@H+]1C 213975979 571691638 /nfs/dbraw/zinc/69/16/38/571691638.db2.gz ONQKENVEAPTUDB-SDDRHHMPSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]1C[C@@]1([NH3+])[C@@H]1CCC[N@@H+](C)C1 213976360 571691076 /nfs/dbraw/zinc/69/10/76/571691076.db2.gz HFBJFZKHJCRBRS-GRYCIOLGSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@H](CC)C1 70563154 571691122 /nfs/dbraw/zinc/69/11/22/571691122.db2.gz SENBPKXNJVXYTQ-QWRGUYRKSA-N 2 1 184.327 1.894 10 0 ADAEMP C[N@H+]1CCC[C@](C[NH3+])(CC2CC2)CC1 213977721 571691727 /nfs/dbraw/zinc/69/17/27/571691727.db2.gz MJRDVYROCWHLRO-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP CC(C)[C@@H]1C[C@@]1([NH3+])[C@@H]1CCCC[N@H+]1C 213976089 571691475 /nfs/dbraw/zinc/69/14/75/571691475.db2.gz ONQKENVEAPTUDB-SRVKXCTJSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@@H+](C[C@H]1CCN(C)C1)C1CC1 687716382 571691592 /nfs/dbraw/zinc/69/15/92/571691592.db2.gz ABVIIJBUXWGSJP-NSHDSACASA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[N@H+](C[C@H]1CC[NH+](C)C1)C1CC1 687716382 571691595 /nfs/dbraw/zinc/69/15/95/571691595.db2.gz ABVIIJBUXWGSJP-NSHDSACASA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[N@@H+](C[C@H]1CC[NH+](C)C1)C1CC1 687716382 571691598 /nfs/dbraw/zinc/69/15/98/571691598.db2.gz ABVIIJBUXWGSJP-NSHDSACASA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[NH+](C[C@H]1CC[N@H+](C)C1)C1CC1 687716382 571691600 /nfs/dbraw/zinc/69/16/00/571691600.db2.gz ABVIIJBUXWGSJP-NSHDSACASA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[NH+](C[C@H]1CC[N@@H+](C)C1)C1CC1 687716382 571691602 /nfs/dbraw/zinc/69/16/02/571691602.db2.gz ABVIIJBUXWGSJP-NSHDSACASA-N 2 1 196.338 1.811 10 0 ADAEMP CC[C@@H]1C[C@]1([NH3+])C[C@@H]1CCCC[N@H+]1C 213975203 571691848 /nfs/dbraw/zinc/69/18/48/571691848.db2.gz WPJCUZFGRBWCMX-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)CC[C@@H]1[NH3+] 213978693 571691871 /nfs/dbraw/zinc/69/18/71/571691871.db2.gz BGTQKXKHUOLZLY-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 70559230 571692082 /nfs/dbraw/zinc/69/20/82/571692082.db2.gz STPZNICHMIUADW-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 70559230 571692087 /nfs/dbraw/zinc/69/20/87/571692087.db2.gz STPZNICHMIUADW-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CSC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 70559152 571692270 /nfs/dbraw/zinc/69/22/70/571692270.db2.gz AXZWRSVOGKNTCM-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP CSC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1 70559152 571692273 /nfs/dbraw/zinc/69/22/73/571692273.db2.gz AXZWRSVOGKNTCM-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP CCC[N@H+]1CC[C@H](CC[C@H](C)[NH3+])C1 250003192 571692366 /nfs/dbraw/zinc/69/23/66/571692366.db2.gz PAOOEGVHOGPFLD-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)CC[C@@H]1C[NH3+] 213978072 571692501 /nfs/dbraw/zinc/69/25/01/571692501.db2.gz NUCOTJPRQRNIHB-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[N@@H+](C[C@@H]1CCN(C)C1)C1CC1 687716381 571692645 /nfs/dbraw/zinc/69/26/45/571692645.db2.gz ABVIIJBUXWGSJP-LLVKDONJSA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[N@H+](C[C@@H]1CC[NH+](C)C1)C1CC1 687716381 571692649 /nfs/dbraw/zinc/69/26/49/571692649.db2.gz ABVIIJBUXWGSJP-LLVKDONJSA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[N@@H+](C[C@@H]1CC[NH+](C)C1)C1CC1 687716381 571692651 /nfs/dbraw/zinc/69/26/51/571692651.db2.gz ABVIIJBUXWGSJP-LLVKDONJSA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[NH+](C[C@@H]1CC[N@H+](C)C1)C1CC1 687716381 571692654 /nfs/dbraw/zinc/69/26/54/571692654.db2.gz ABVIIJBUXWGSJP-LLVKDONJSA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[NH+](C[C@@H]1CC[N@@H+](C)C1)C1CC1 687716381 571692658 /nfs/dbraw/zinc/69/26/58/571692658.db2.gz ABVIIJBUXWGSJP-LLVKDONJSA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[C@@H]1C[C@]1([NH3+])[C@@H]1CCC[N@@H+](C)C1 213976234 571692872 /nfs/dbraw/zinc/69/28/72/571692872.db2.gz HFBJFZKHJCRBRS-WOPDTQHZSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[C@@]1([NH3+])CC[C@@H]1CCC[N@@H+](C)C1 213974788 571692762 /nfs/dbraw/zinc/69/27/62/571692762.db2.gz GWKIAXZJRMOWSM-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1C[C@]1([NH3+])C[C@@H]1CCC[N@@H+](C)C1 213975467 571692912 /nfs/dbraw/zinc/69/29/12/571692912.db2.gz VVLDQXAQKHTRFK-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CC(C)(C)[N@H+]1CCn1ccnc1 687716360 571693210 /nfs/dbraw/zinc/69/32/10/571693210.db2.gz KFLIQUNKLDSTRS-JTQLQIEISA-N 2 1 193.294 1.756 10 0 ADAEMP C[C@@H]1CC(C)(C)[N@H+]1CCn1ccnc1 687716361 571693252 /nfs/dbraw/zinc/69/32/52/571693252.db2.gz KFLIQUNKLDSTRS-SNVBAGLBSA-N 2 1 193.294 1.756 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C)CC[C@@H]1[NH3+] 213979368 571693305 /nfs/dbraw/zinc/69/33/05/571693305.db2.gz GYRZLVCOABHQPA-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)CC[C@@H]1[NH3+] 213978755 571693423 /nfs/dbraw/zinc/69/34/23/571693423.db2.gz BGTQKXKHUOLZLY-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@H](CC)C1 70563152 571693366 /nfs/dbraw/zinc/69/33/66/571693366.db2.gz SENBPKXNJVXYTQ-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@H](C)CC2CC2)C1 70559232 571693391 /nfs/dbraw/zinc/69/33/91/571693391.db2.gz JYJMNBGJKRIRRG-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 70559232 571693393 /nfs/dbraw/zinc/69/33/93/571693393.db2.gz JYJMNBGJKRIRRG-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CSC[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 70559151 571693517 /nfs/dbraw/zinc/69/35/17/571693517.db2.gz AXZWRSVOGKNTCM-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CSC[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1 70559151 571693519 /nfs/dbraw/zinc/69/35/19/571693519.db2.gz AXZWRSVOGKNTCM-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 70559231 571693545 /nfs/dbraw/zinc/69/35/45/571693545.db2.gz JYJMNBGJKRIRRG-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 70559231 571693547 /nfs/dbraw/zinc/69/35/47/571693547.db2.gz JYJMNBGJKRIRRG-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@@]1([NH3+])C[C@@H]1CCCC[N@H+]1C 213975314 571693573 /nfs/dbraw/zinc/69/35/73/571693573.db2.gz WPJCUZFGRBWCMX-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@@H](CC)C1 70563151 571693621 /nfs/dbraw/zinc/69/36/21/571693621.db2.gz SENBPKXNJVXYTQ-GHMZBOCLSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C)CC[C@@H]1[NH3+] 213979434 571693642 /nfs/dbraw/zinc/69/36/42/571693642.db2.gz GYRZLVCOABHQPA-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC2CC2)C1 70559229 571693672 /nfs/dbraw/zinc/69/36/72/571693672.db2.gz STPZNICHMIUADW-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 70559229 571693676 /nfs/dbraw/zinc/69/36/76/571693676.db2.gz STPZNICHMIUADW-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@]([NH3+])(CC2CCC2)CC1 213977584 571693710 /nfs/dbraw/zinc/69/37/10/571693710.db2.gz CVOYVRVWEQDCQI-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H]1C[C@@]1([NH3+])C[C@@H]1CCC[N@@H+](C)C1 213975582 571693742 /nfs/dbraw/zinc/69/37/42/571693742.db2.gz VVLDQXAQKHTRFK-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C)C[C@@H]1C[NH3+] 213979844 571693755 /nfs/dbraw/zinc/69/37/55/571693755.db2.gz NJLPPBOUCYVQFX-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](CC)C1 70563153 571693773 /nfs/dbraw/zinc/69/37/73/571693773.db2.gz SENBPKXNJVXYTQ-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C)C[C@@H]1C[NH3+] 213979783 571693794 /nfs/dbraw/zinc/69/37/94/571693794.db2.gz NJLPPBOUCYVQFX-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@H+]1CCC[C@@](C[NH3+])(CC2CC2)CC1 213977769 571693952 /nfs/dbraw/zinc/69/39/52/571693952.db2.gz MJRDVYROCWHLRO-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H](CC[NH3+])C2CC2)C1 213965268 571694233 /nfs/dbraw/zinc/69/42/33/571694233.db2.gz OKWSRPXPQUPVIP-MNOVXSKESA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])C2CCC2)C1 213964628 571694261 /nfs/dbraw/zinc/69/42/61/571694261.db2.gz IIJNVCYWKXIHHH-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])CC[C@@H]1C[C@@]12CCC[N@@H+](C)C2 213971251 571694275 /nfs/dbraw/zinc/69/42/75/571694275.db2.gz HCEWOZHSZNOSNF-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]1[C@@H](C[NH3+])C1CCCC1 213963260 571694327 /nfs/dbraw/zinc/69/43/27/571694327.db2.gz IVQPKNGNZKAAFA-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@H](C1CCC1)[C@@H]1CC[N@H+]1C 213963812 571694463 /nfs/dbraw/zinc/69/44/63/571694463.db2.gz PLSQUOHUIPLFEG-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])C1CC1 213961926 571694477 /nfs/dbraw/zinc/69/44/77/571694477.db2.gz KOYLRLVJPITBOV-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@@H]1CCCC[N@@H+]1C 213962008 571694500 /nfs/dbraw/zinc/69/45/00/571694500.db2.gz CDWFWNUHHOFFDZ-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@@H]1CCCC[N@H+]1C 213962008 571694502 /nfs/dbraw/zinc/69/45/02/571694502.db2.gz CDWFWNUHHOFFDZ-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@@H]1CCCC[N@@H+]1C 213962067 571694508 /nfs/dbraw/zinc/69/45/08/571694508.db2.gz CDWFWNUHHOFFDZ-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@@H]1CCCC[N@H+]1C 213962067 571694511 /nfs/dbraw/zinc/69/45/11/571694511.db2.gz CDWFWNUHHOFFDZ-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])C2CC2)CC1 213964057 571694524 /nfs/dbraw/zinc/69/45/24/571694524.db2.gz LXFYWUYXCGDMIQ-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@@H](C1CC1)[C@H]1CC[N@@H+](C)C1 213965471 571694556 /nfs/dbraw/zinc/69/45/56/571694556.db2.gz QTKBPDHYHOJKTH-QWRGUYRKSA-N 2 1 182.311 1.184 10 0 ADAEMP C[NH+]1CC([C@@H]([NH3+])C2CCCCC2)C1 213965833 571694591 /nfs/dbraw/zinc/69/45/91/571694591.db2.gz AEJDFCNFSXHAHT-NSHDSACASA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])C2CC2)CC1 213964000 571694750 /nfs/dbraw/zinc/69/47/50/571694750.db2.gz LXFYWUYXCGDMIQ-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCC[C@H]1CC 70568410 571694786 /nfs/dbraw/zinc/69/47/86/571694786.db2.gz DRYDFVVBBDZLIV-GHMZBOCLSA-N 2 1 184.327 1.894 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])C1CC1 213961863 571694864 /nfs/dbraw/zinc/69/48/64/571694864.db2.gz KOYLRLVJPITBOV-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@H]1CCCC[N@@H+]1C 213962174 571694937 /nfs/dbraw/zinc/69/49/37/571694937.db2.gz CDWFWNUHHOFFDZ-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@H]1CCCC[N@H+]1C 213962174 571694939 /nfs/dbraw/zinc/69/49/39/571694939.db2.gz CDWFWNUHHOFFDZ-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC 712097863 571694946 /nfs/dbraw/zinc/69/49/46/571694946.db2.gz YIOWDWLUHXECHT-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CCCC[C@@H]([C@H]([NH3+])C2CC2)C1 213961491 571694955 /nfs/dbraw/zinc/69/49/55/571694955.db2.gz QRHFYMLLGIRTRG-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@H]1[C@@H](CC[NH3+])C1CCC1 213963667 571694971 /nfs/dbraw/zinc/69/49/71/571694971.db2.gz GTOSGKLYXKANAK-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@@H]1CCC[N@@H+](C)C1 213964725 571694976 /nfs/dbraw/zinc/69/49/76/571694976.db2.gz UEMDILDPHUVCDT-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H](CC[NH3+])C1CC1 213962707 571695000 /nfs/dbraw/zinc/69/50/00/571695000.db2.gz ADISOWAJQKWNPT-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H](CC[NH3+])C2CC2)C1 213965214 571695049 /nfs/dbraw/zinc/69/50/49/571695049.db2.gz OKWSRPXPQUPVIP-QWRGUYRKSA-N 2 1 182.311 1.313 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@@H]1CC[N@@H+](C)C1 213965416 571695097 /nfs/dbraw/zinc/69/50/97/571695097.db2.gz QTKBPDHYHOJKTH-GHMZBOCLSA-N 2 1 182.311 1.184 10 0 ADAEMP C[N@H+]1CCCC[C@H]([C@H]([NH3+])C2CC2)C1 213961428 571695110 /nfs/dbraw/zinc/69/51/10/571695110.db2.gz QRHFYMLLGIRTRG-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@H]1CC[N@@H+](C)C1 213965070 571695140 /nfs/dbraw/zinc/69/51/40/571695140.db2.gz SGKHANALQDJGTB-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CC[C@@H]1[C@@H](C[NH3+])C1CCCC1 213963200 571695145 /nfs/dbraw/zinc/69/51/45/571695145.db2.gz IVQPKNGNZKAAFA-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@H]1CC[N@@H+](C)C1 213965527 571695321 /nfs/dbraw/zinc/69/53/21/571695321.db2.gz QTKBPDHYHOJKTH-WDEREUQCSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1CC 70568411 571695418 /nfs/dbraw/zinc/69/54/18/571695418.db2.gz DRYDFVVBBDZLIV-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H](C[NH3+])C2CC2)C1 213964482 571695430 /nfs/dbraw/zinc/69/54/30/571695430.db2.gz RVKJQXUKBICPOX-MNOVXSKESA-N 2 1 182.311 1.313 10 0 ADAEMP C[NH2+]C[C@@H](C1CC1)[C@H]1CCC[N@H+]1C 213962912 571695578 /nfs/dbraw/zinc/69/55/78/571695578.db2.gz UBUNAABQYQSKPH-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCC[C@@H]1CC 70568409 571695588 /nfs/dbraw/zinc/69/55/88/571695588.db2.gz DRYDFVVBBDZLIV-QWRGUYRKSA-N 2 1 184.327 1.894 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])C2CCC2)C1 213964568 571695591 /nfs/dbraw/zinc/69/55/91/571695591.db2.gz IIJNVCYWKXIHHH-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H](CC[NH3+])C1CC1 213962652 571695609 /nfs/dbraw/zinc/69/56/09/571695609.db2.gz ADISOWAJQKWNPT-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@@H]1CC[N@@H+](C)C1 213965014 571695674 /nfs/dbraw/zinc/69/56/74/571695674.db2.gz SGKHANALQDJGTB-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@H]1CCC[N@@H+](C)C1 213964839 571695748 /nfs/dbraw/zinc/69/57/48/571695748.db2.gz UEMDILDPHUVCDT-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@H]1CC[N@@H+](C)C1 213965125 571695775 /nfs/dbraw/zinc/69/57/75/571695775.db2.gz SGKHANALQDJGTB-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@@H]1CCC[N@@H+](C)C1 213964785 571695801 /nfs/dbraw/zinc/69/58/01/571695801.db2.gz UEMDILDPHUVCDT-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH+]1CC([C@H]([NH3+])C2CCCCC2)C1 213965770 571695828 /nfs/dbraw/zinc/69/58/28/571695828.db2.gz AEJDFCNFSXHAHT-LLVKDONJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@H]1CCC[N@H+]1C 213962972 571695988 /nfs/dbraw/zinc/69/59/88/571695988.db2.gz UBUNAABQYQSKPH-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@H](C1CCC1)[C@H]1CC[N@H+]1C 213963918 571696018 /nfs/dbraw/zinc/69/60/18/571696018.db2.gz PLSQUOHUIPLFEG-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CC[C@@H]1[C@@H](CC[NH3+])C1CCC1 213963608 571696798 /nfs/dbraw/zinc/69/67/98/571696798.db2.gz GTOSGKLYXKANAK-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@H]1CCC[N@@H+]1C 213962569 571696076 /nfs/dbraw/zinc/69/60/76/571696076.db2.gz RQBUWMPLPBOPDA-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@H]1CCC[N@H+]1C 213962569 571696078 /nfs/dbraw/zinc/69/60/78/571696078.db2.gz RQBUWMPLPBOPDA-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]([NH3+])CC[C@H]1C[C@@]12CCC[N@@H+](C)C2 213971365 571696119 /nfs/dbraw/zinc/69/61/19/571696119.db2.gz HCEWOZHSZNOSNF-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@@H]1CCC[N@H+]1C 213962855 571696154 /nfs/dbraw/zinc/69/61/54/571696154.db2.gz UBUNAABQYQSKPH-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCC[C@H]1CC 70568408 571696189 /nfs/dbraw/zinc/69/61/89/571696189.db2.gz DRYDFVVBBDZLIV-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@@H]1CCC[N@@H+]1C 213962391 571696225 /nfs/dbraw/zinc/69/62/25/571696225.db2.gz RQBUWMPLPBOPDA-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@@H]1CCC[N@H+]1C 213962391 571696227 /nfs/dbraw/zinc/69/62/27/571696227.db2.gz RQBUWMPLPBOPDA-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@@H]1CCC[N@@H+]1C 213962451 571696238 /nfs/dbraw/zinc/69/62/38/571696238.db2.gz RQBUWMPLPBOPDA-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@@H]1CCC[N@H+]1C 213962451 571696240 /nfs/dbraw/zinc/69/62/40/571696240.db2.gz RQBUWMPLPBOPDA-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CCC2([NH3+])CC2)C1 398058278 571696243 /nfs/dbraw/zinc/69/62/43/571696243.db2.gz GANLBUCUAUQHLH-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC[C@@H]1[C@H]([NH3+])CC[N@H+]1CC 22441490 571696257 /nfs/dbraw/zinc/69/62/57/571696257.db2.gz PHQCPBIUGJMVFV-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@H]1CCC[N@@H+]1C 213962512 571696278 /nfs/dbraw/zinc/69/62/78/571696278.db2.gz RQBUWMPLPBOPDA-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@H]1CCC[N@H+]1C 213962512 571696279 /nfs/dbraw/zinc/69/62/79/571696279.db2.gz RQBUWMPLPBOPDA-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]C[C@@H](C1CCC1)[C@H]1CC[N@H+]1C 213963865 571696334 /nfs/dbraw/zinc/69/63/34/571696334.db2.gz PLSQUOHUIPLFEG-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1C[C@@]12CCC[N@@H+](C)CC2 213970779 571696493 /nfs/dbraw/zinc/69/64/93/571696493.db2.gz IGSDBWSFPYUXKM-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC 712097860 571696900 /nfs/dbraw/zinc/69/69/00/571696900.db2.gz YIOWDWLUHXECHT-GARJFASQSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1CCC(C)C 712102008 571696552 /nfs/dbraw/zinc/69/65/52/571696552.db2.gz KCJBYQMPNJSBGQ-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@@H](C1CCC1)[C@@H]1CC[N@H+]1C 213963757 571696602 /nfs/dbraw/zinc/69/66/02/571696602.db2.gz PLSQUOHUIPLFEG-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H]1CCC(C)C 712102014 571696634 /nfs/dbraw/zinc/69/66/34/571696634.db2.gz KCJBYQMPNJSBGQ-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H](C[NH3+])C1CCC1 213962253 571696740 /nfs/dbraw/zinc/69/67/40/571696740.db2.gz KBXLUILZZRFTAQ-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@H]1CCC[N@@H+](C)C1 213964895 571696750 /nfs/dbraw/zinc/69/67/50/571696750.db2.gz UEMDILDPHUVCDT-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@H]1CCCC[N@@H+]1C 213962125 571696767 /nfs/dbraw/zinc/69/67/67/571696767.db2.gz CDWFWNUHHOFFDZ-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@H]1CCCC[N@H+]1C 213962125 571696770 /nfs/dbraw/zinc/69/67/70/571696770.db2.gz CDWFWNUHHOFFDZ-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12CCC[C@H]2C 712096544 571696810 /nfs/dbraw/zinc/69/68/10/571696810.db2.gz VHSWONAUZALRAY-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H](C[NH3+])C2CC2)C1 213964423 571696859 /nfs/dbraw/zinc/69/68/59/571696859.db2.gz RVKJQXUKBICPOX-QWRGUYRKSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+](C)CC1CC1 393382384 571696946 /nfs/dbraw/zinc/69/69/46/571696946.db2.gz FKCCWJZVMAHWAU-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12CCC[C@@H]2C 712096541 571697002 /nfs/dbraw/zinc/69/70/02/571697002.db2.gz VHSWONAUZALRAY-SRVKXCTJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C)C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC 712097857 571697034 /nfs/dbraw/zinc/69/70/34/571697034.db2.gz YIOWDWLUHXECHT-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@]12CC[C@H]2C 712099756 571697823 /nfs/dbraw/zinc/69/78/23/571697823.db2.gz DWBMDWMMBBZQFX-NOOOWODRSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@H](C)C[C@H]1[C@H]([NH3+])CC[N@H+]1CC 712097852 571697903 /nfs/dbraw/zinc/69/79/03/571697903.db2.gz YIOWDWLUHXECHT-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@]12CC[C@@H]2C 712099754 571698259 /nfs/dbraw/zinc/69/82/59/571698259.db2.gz DWBMDWMMBBZQFX-FIQHERPVSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1CCC(C)C 712102012 571699034 /nfs/dbraw/zinc/69/90/34/571699034.db2.gz KCJBYQMPNJSBGQ-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@]12CC[C@H]2C 712099758 571699188 /nfs/dbraw/zinc/69/91/88/571699188.db2.gz DWBMDWMMBBZQFX-RHYQMDGZSA-N 2 1 196.338 1.987 10 0 ADAEMP CCC1([C@H]2[C@@H]([NH3+])CC[N@H+]2C2CC2)CC1 712099199 571699230 /nfs/dbraw/zinc/69/92/30/571699230.db2.gz CHEYXNNELXMNRB-WDEREUQCSA-N 2 1 194.322 1.741 10 0 ADAEMP CC(C)C[N@@H+](C)CCC1([NH3+])CC1 213981049 571699329 /nfs/dbraw/zinc/69/93/29/571699329.db2.gz SHUAHHUJXZKQCA-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C1CCCC1 712122290 571700255 /nfs/dbraw/zinc/70/02/55/571700255.db2.gz VGOAOBNGOBDKHT-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C1CCCC1 712122283 571700369 /nfs/dbraw/zinc/70/03/69/571700369.db2.gz VGOAOBNGOBDKHT-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C1CCCC1 712122290 571700259 /nfs/dbraw/zinc/70/02/59/571700259.db2.gz VGOAOBNGOBDKHT-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C1CCCC1 712122283 571700372 /nfs/dbraw/zinc/70/03/72/571700372.db2.gz VGOAOBNGOBDKHT-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[N@H+](C)[C@](CC)(C[NH3+])COC 70624558 571700428 /nfs/dbraw/zinc/70/04/28/571700428.db2.gz UAJAAGYOPNTQPF-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[N@@H+](C)[C@](CC)(C[NH3+])COC 70624558 571700430 /nfs/dbraw/zinc/70/04/30/571700430.db2.gz UAJAAGYOPNTQPF-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@]12CCCC2(C)C 712123556 571700480 /nfs/dbraw/zinc/70/04/80/571700480.db2.gz PTHMJDFDPYQHBS-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C1CCCC1 712122296 571701250 /nfs/dbraw/zinc/70/12/50/571701250.db2.gz VGOAOBNGOBDKHT-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C1CCCC1 712122296 571701255 /nfs/dbraw/zinc/70/12/55/571701255.db2.gz VGOAOBNGOBDKHT-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[N@H+]1CC[C@H]([C@@H]([NH3+])CC)C1 250052107 571701288 /nfs/dbraw/zinc/70/12/88/571701288.db2.gz WHGCHOQXOPETDI-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH+](CC)[C@](CC)(C[NH3+])COC 70624515 571701744 /nfs/dbraw/zinc/70/17/44/571701744.db2.gz OVVKOFKASRLMKO-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[C@H](C)[NH2+]C)C1 250042969 571701865 /nfs/dbraw/zinc/70/18/65/571701865.db2.gz UUZGPNZVTRDJKY-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC1([C@@H]2[C@H]([NH3+])CC[N@H+]2C)CCC1 712126281 571701903 /nfs/dbraw/zinc/70/19/03/571701903.db2.gz AQISNVUADCIEJB-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[NH+](CC)[C@@](CC)(C[NH3+])COC 70624516 571701962 /nfs/dbraw/zinc/70/19/62/571701962.db2.gz OVVKOFKASRLMKO-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@H+]1[C@H]2CC[C@@H]1CC([C@@H]1CC[NH2+]C1)C2 70627705 571703661 /nfs/dbraw/zinc/70/36/61/571703661.db2.gz IIEGHUKHQDSITA-WAAKLRNESA-N 2 1 194.322 1.469 10 0 ADAEMP CCC1([C@H]2[C@@H]([NH3+])CC[N@H+]2C)CCC1 712126279 571702133 /nfs/dbraw/zinc/70/21/33/571702133.db2.gz AQISNVUADCIEJB-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@](C[NH3+])(COC)[N@H+](C)C(C)C 70624529 571702139 /nfs/dbraw/zinc/70/21/39/571702139.db2.gz SUQJSGOLMHLLDC-SNVBAGLBSA-N 2 1 188.315 1.081 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571702530 /nfs/dbraw/zinc/70/25/30/571702530.db2.gz WHGCHOQXOPETDI-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H]1C1(C)CCCCC1 712120506 571702690 /nfs/dbraw/zinc/70/26/90/571702690.db2.gz JPHTWIRHODICTK-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@H+]1CCC[C@H]([C@@H]([NH3+])CC)C1 250065146 571702755 /nfs/dbraw/zinc/70/27/55/571702755.db2.gz YCHXAEPBSOTEBK-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]([C@@H]([NH3+])CC)C1 250065144 571702876 /nfs/dbraw/zinc/70/28/76/571702876.db2.gz YCHXAEPBSOTEBK-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H]1C1(C)CCCCC1 712120504 571702972 /nfs/dbraw/zinc/70/29/72/571702972.db2.gz JPHTWIRHODICTK-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H]1CCCC[N@@H+](C)C1 214032177 571703014 /nfs/dbraw/zinc/70/30/14/571703014.db2.gz GBEWYGSLVLBQTC-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCC2(C)C 712123554 571703042 /nfs/dbraw/zinc/70/30/42/571703042.db2.gz PTHMJDFDPYQHBS-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C[NH3+])[C@@H]1CCCC[N@@H+](C)C1 214031808 571703267 /nfs/dbraw/zinc/70/32/67/571703267.db2.gz MIRNVZOOQWDTSP-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC(C)(C)[C@H]([NH3+])C[NH+](C)C 22860367 571703388 /nfs/dbraw/zinc/70/33/88/571703388.db2.gz BTDMONKFGHJDGV-MRVPVSSYSA-N 2 1 158.289 1.312 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@H]1CCCC[N@@H+](C)C1 214032393 571703517 /nfs/dbraw/zinc/70/35/17/571703517.db2.gz RQSNDLRDFPPAMN-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H]1CCCC[N@@H+](C)C1 214032120 571703828 /nfs/dbraw/zinc/70/38/28/571703828.db2.gz GBEWYGSLVLBQTC-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H]1C1(C)CCCCC1 712120501 571703941 /nfs/dbraw/zinc/70/39/41/571703941.db2.gz JPHTWIRHODICTK-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H](C[NH3+])[C@@H]1CCCC[N@@H+](C)C1 214031747 571704890 /nfs/dbraw/zinc/70/48/90/571704890.db2.gz MIRNVZOOQWDTSP-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H](C[NH3+])[C@H]1CCCC[N@@H+](C)C1 214031862 571704404 /nfs/dbraw/zinc/70/44/04/571704404.db2.gz MIRNVZOOQWDTSP-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@@H]1CCCC[N@@H+](C)C1 214032270 571704537 /nfs/dbraw/zinc/70/45/37/571704537.db2.gz RQSNDLRDFPPAMN-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H]1CCCC[N@@H+](C)C1 214032005 571704699 /nfs/dbraw/zinc/70/46/99/571704699.db2.gz GBEWYGSLVLBQTC-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@@H]1CCCC[N@@H+](C)C1 214032330 571704793 /nfs/dbraw/zinc/70/47/93/571704793.db2.gz RQSNDLRDFPPAMN-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H]1CCCCC[N@H+]1C 214034162 571705683 /nfs/dbraw/zinc/70/56/83/571705683.db2.gz MQOHVOPJIDURFV-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H]1CCC[N@@H+](C)CC1 214036242 571705320 /nfs/dbraw/zinc/70/53/20/571705320.db2.gz PHLZOBIVLZUTCQ-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[C@@H](CC[NH3+])[C@H]1CCCC[N@H+]1C 214034477 571705345 /nfs/dbraw/zinc/70/53/45/571705345.db2.gz GPLHBZDBBMZWRT-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[C@H]1CCCCC[N@H+]1C 214034018 571705367 /nfs/dbraw/zinc/70/53/67/571705367.db2.gz NVYKCUGRINDHIM-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]1CCCC[N@H+]1C 214034670 571705551 /nfs/dbraw/zinc/70/55/51/571705551.db2.gz RFVGFZWWBUUSEQ-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@@H]1CC[N@@H+](C)C1 214037439 571705602 /nfs/dbraw/zinc/70/56/02/571705602.db2.gz XBKKOMBUIWGDOY-GHMZBOCLSA-N 2 1 184.327 1.430 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H]1CCCCC[N@H+]1C 214034282 571705658 /nfs/dbraw/zinc/70/56/58/571705658.db2.gz MQOHVOPJIDURFV-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H]1CCCC[N@@H+](C)C1 214032871 571705700 /nfs/dbraw/zinc/70/57/00/571705700.db2.gz RRFUELOUUHIVNU-GHMZBOCLSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@H]1CC[N@@H+](C)C1 214037552 571705770 /nfs/dbraw/zinc/70/57/70/571705770.db2.gz XBKKOMBUIWGDOY-WDEREUQCSA-N 2 1 184.327 1.430 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@H]1CCC[N@@H+](C)CC1 214035752 571707092 /nfs/dbraw/zinc/70/70/92/571707092.db2.gz JQHMJBQBWLYISR-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@H]1CCCC[N@@H+]1C 214035054 571705814 /nfs/dbraw/zinc/70/58/14/571705814.db2.gz URUAUMQYLDXTSH-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@H]1CCCC[N@H+]1C 214035054 571705817 /nfs/dbraw/zinc/70/58/17/571705817.db2.gz URUAUMQYLDXTSH-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H](CC[NH3+])[C@@H]1CCCC[N@H+]1C 214034373 571705824 /nfs/dbraw/zinc/70/58/24/571705824.db2.gz GPLHBZDBBMZWRT-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@H](CC[NH3+])[C@H]1CC[N@@H+](C)C1 214037352 571705843 /nfs/dbraw/zinc/70/58/43/571705843.db2.gz RNUVMQAEQMORIA-QWRGUYRKSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]1CCC[N@@H+](C)C1 214037065 571705869 /nfs/dbraw/zinc/70/58/69/571705869.db2.gz IVWJEBQIMKAEMX-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@H]1CCC[N@@H+](C)C1 214036806 571705882 /nfs/dbraw/zinc/70/58/82/571705882.db2.gz ZBBVKILKIQWKNI-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H]1CCC[N@@H+](C)CC1 214036137 571705891 /nfs/dbraw/zinc/70/58/91/571705891.db2.gz PHLZOBIVLZUTCQ-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@]12CCC(C)(C)C2 712132620 571705920 /nfs/dbraw/zinc/70/59/20/571705920.db2.gz LZBVXPOTAWTIAG-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H]1CCCC[N@@H+](C)C1 214032927 571705970 /nfs/dbraw/zinc/70/59/70/571705970.db2.gz RRFUELOUUHIVNU-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@@H]1CCC[N@H+]1C 214035382 571706010 /nfs/dbraw/zinc/70/60/10/571706010.db2.gz BQMZDEKWHHTHAH-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H]1CCCC[N@@H+](C)C1 214032811 571705992 /nfs/dbraw/zinc/70/59/92/571705992.db2.gz RRFUELOUUHIVNU-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[C@H](C[NH3+])[C@@H]1CCCCC[N@H+]1C 214033139 571706021 /nfs/dbraw/zinc/70/60/21/571706021.db2.gz YBTMBRLIGUCYNX-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[C@@H]1CCCC[N@@H+](C)C1 214032602 571706081 /nfs/dbraw/zinc/70/60/81/571706081.db2.gz AIEFPHBTBYUUEZ-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H]1CCC[N@@H+](C)CC1 214035882 571706107 /nfs/dbraw/zinc/70/61/07/571706107.db2.gz GQDCSNPJTXMLBC-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H]1CCC[N@@H+](C)CC1 214035993 571706189 /nfs/dbraw/zinc/70/61/89/571706189.db2.gz GQDCSNPJTXMLBC-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]1CCCC[N@H+]1C 214034789 571707690 /nfs/dbraw/zinc/70/76/90/571707690.db2.gz RFVGFZWWBUUSEQ-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H]1CCC[N@@H+](C)CC1 214036295 571706370 /nfs/dbraw/zinc/70/63/70/571706370.db2.gz PHLZOBIVLZUTCQ-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@@H]1CCC[N@@H+](C)C1 214036642 571706395 /nfs/dbraw/zinc/70/63/95/571706395.db2.gz ZBBVKILKIQWKNI-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@H]1CCCC[N@@H+](C)C1 214032448 571706413 /nfs/dbraw/zinc/70/64/13/571706413.db2.gz RQSNDLRDFPPAMN-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](CC[NH3+])[C@H]1CCCCC[N@H+]1C 214033963 571706443 /nfs/dbraw/zinc/70/64/43/571706443.db2.gz NVYKCUGRINDHIM-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@@H]1CCC[N@@H+](C)C1 214036698 571706499 /nfs/dbraw/zinc/70/64/99/571706499.db2.gz ZBBVKILKIQWKNI-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@H](C[NH3+])[C@H]1CCCCC[N@H+]1C 214033257 571706553 /nfs/dbraw/zinc/70/65/53/571706553.db2.gz YBTMBRLIGUCYNX-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](CC[NH3+])[C@H]1CCCC[N@H+]1C 214034539 571707111 /nfs/dbraw/zinc/70/71/11/571707111.db2.gz GPLHBZDBBMZWRT-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C[NH3+])[C@@H]1CCCCC[N@H+]1C 214033082 571706713 /nfs/dbraw/zinc/70/67/13/571706713.db2.gz YBTMBRLIGUCYNX-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[C@H]1CCCC[N@@H+](C)C1 214032730 571706762 /nfs/dbraw/zinc/70/67/62/571706762.db2.gz AIEFPHBTBYUUEZ-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@H](CC[NH3+])[C@@H]1CC[N@@H+](C)C1 214037227 571706773 /nfs/dbraw/zinc/70/67/73/571706773.db2.gz RNUVMQAEQMORIA-MNOVXSKESA-N 2 1 184.327 1.559 10 0 ADAEMP C[C@@H](CC[NH3+])[C@H]1CCCC[N@@H+](C)C1 214032674 571706865 /nfs/dbraw/zinc/70/68/65/571706865.db2.gz AIEFPHBTBYUUEZ-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 214035637 571706873 /nfs/dbraw/zinc/70/68/73/571706873.db2.gz JQHMJBQBWLYISR-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](CC[NH3+])[C@@H]1CCCC[N@H+]1C 214034422 571706886 /nfs/dbraw/zinc/70/68/86/571706886.db2.gz GPLHBZDBBMZWRT-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@@H]1CCCC[N@H+]1C 214034622 571706937 /nfs/dbraw/zinc/70/69/37/571706937.db2.gz RFVGFZWWBUUSEQ-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@@H](CC[NH3+])[C@H]1CC[N@@H+](C)C1 214037288 571706843 /nfs/dbraw/zinc/70/68/43/571706843.db2.gz RNUVMQAEQMORIA-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)[C@@H](CC[NH3+])[C@H]1CCC[N@H+]1C 214035252 571706982 /nfs/dbraw/zinc/70/69/82/571706982.db2.gz ZRXGRWNYKGFCCC-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@H]1CCCC[N@@H+]1C 214034995 571707037 /nfs/dbraw/zinc/70/70/37/571707037.db2.gz URUAUMQYLDXTSH-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@H]1CCCC[N@H+]1C 214034995 571707039 /nfs/dbraw/zinc/70/70/39/571707039.db2.gz URUAUMQYLDXTSH-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@@H]1CCCC[N@@H+]1C 214034934 571707061 /nfs/dbraw/zinc/70/70/61/571707061.db2.gz URUAUMQYLDXTSH-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@@H]1CCCC[N@H+]1C 214034934 571707064 /nfs/dbraw/zinc/70/70/64/571707064.db2.gz URUAUMQYLDXTSH-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[C@@H](CC[NH3+])[C@@H]1CC[N@@H+](C)C1 214037163 571707792 /nfs/dbraw/zinc/70/77/92/571707792.db2.gz RNUVMQAEQMORIA-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H]1CCCC[N@@H+](C)C1 214032982 571707152 /nfs/dbraw/zinc/70/71/52/571707152.db2.gz RRFUELOUUHIVNU-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H](CC[NH3+])[C@@H]1CCCC[N@@H+](C)C1 214032543 571707253 /nfs/dbraw/zinc/70/72/53/571707253.db2.gz AIEFPHBTBYUUEZ-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H]1CCCCC[N@H+]1C 214034224 571707269 /nfs/dbraw/zinc/70/72/69/571707269.db2.gz MQOHVOPJIDURFV-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H]1[C@@H]([NH3+])CC[N@H+]1CC 22943676 571707290 /nfs/dbraw/zinc/70/72/90/571707290.db2.gz PHQCPBIUGJMVFV-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H]1CCC[N@@H+](C)CC1 214036048 571707307 /nfs/dbraw/zinc/70/73/07/571707307.db2.gz GQDCSNPJTXMLBC-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@@H]1CC[N@@H+](C)C1 214037501 571707318 /nfs/dbraw/zinc/70/73/18/571707318.db2.gz XBKKOMBUIWGDOY-MNOVXSKESA-N 2 1 184.327 1.430 10 0 ADAEMP CC[C@@H](C[NH3+])[C@H]1CCCCC[N@H+]1C 214033200 571707419 /nfs/dbraw/zinc/70/74/19/571707419.db2.gz YBTMBRLIGUCYNX-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H]1CCC[N@@H+](C)CC1 214035941 571707433 /nfs/dbraw/zinc/70/74/33/571707433.db2.gz GQDCSNPJTXMLBC-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]1CCC[N@@H+](C)C1 214036997 571707482 /nfs/dbraw/zinc/70/74/82/571707482.db2.gz IVWJEBQIMKAEMX-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H](CC[NH3+])[C@@H]1CCCCC[N@H+]1C 214033904 571707488 /nfs/dbraw/zinc/70/74/88/571707488.db2.gz NVYKCUGRINDHIM-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@H](CC[NH3+])[C@@H]1CCC[N@H+]1C 214035190 571707524 /nfs/dbraw/zinc/70/75/24/571707524.db2.gz ZRXGRWNYKGFCCC-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](CC[NH3+])[C@H]1CCC[N@H+]1C 214035309 571707556 /nfs/dbraw/zinc/70/75/56/571707556.db2.gz ZRXGRWNYKGFCCC-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]1CCC[N@@H+](C)C1 214036933 571707585 /nfs/dbraw/zinc/70/75/85/571707585.db2.gz IVWJEBQIMKAEMX-GHMZBOCLSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@H]1CCC[N@@H+](C)C1 214036753 571707626 /nfs/dbraw/zinc/70/76/26/571707626.db2.gz ZBBVKILKIQWKNI-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 214035695 571707653 /nfs/dbraw/zinc/70/76/53/571707653.db2.gz JQHMJBQBWLYISR-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H]1CCCCC[N@H+]1C 214034104 571707728 /nfs/dbraw/zinc/70/77/28/571707728.db2.gz MQOHVOPJIDURFV-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC 22943672 571707739 /nfs/dbraw/zinc/70/77/39/571707739.db2.gz PHQCPBIUGJMVFV-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@H]1CC[N@@H+](C)C1 214037614 571707751 /nfs/dbraw/zinc/70/77/51/571707751.db2.gz XBKKOMBUIWGDOY-QWRGUYRKSA-N 2 1 184.327 1.430 10 0 ADAEMP CCCC[N@@H+](C)[C@H](C)CC(N)=[NH2+] 108279753 571708730 /nfs/dbraw/zinc/70/87/30/571708730.db2.gz PJWZXTHHKUROSB-MRVPVSSYSA-N 2 1 171.288 1.433 10 0 ADAEMP Cc1[nH+]cc([C@H](O)CC[NH3+])n1C(C)C 214053725 571708851 /nfs/dbraw/zinc/70/88/51/571708851.db2.gz PTJQEXMPOUGNAJ-SNVBAGLBSA-N 2 1 197.282 1.155 10 0 ADAEMP CCC[C@H]1[C@H]([NH3+])CC[N@H+]1CC 22943680 571709113 /nfs/dbraw/zinc/70/91/13/571709113.db2.gz PHQCPBIUGJMVFV-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP [NH3+]CC[NH2+]Cc1cccc2[nH]ccc12 70634793 571709780 /nfs/dbraw/zinc/70/97/80/571709780.db2.gz ROUFBEYBKLAICW-UHFFFAOYSA-N 2 1 189.262 1.216 10 0 ADAEMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1nccs1 70634518 571709958 /nfs/dbraw/zinc/70/99/58/571709958.db2.gz CYZVTDJPECRURP-HTQZYQBOSA-N 2 1 199.323 1.389 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H]1[C@@H]1CC1(C)C 712139788 571710199 /nfs/dbraw/zinc/71/01/99/571710199.db2.gz YOSBGBFBLWCDEL-LPEHRKFASA-N 2 1 182.311 1.454 10 0 ADAEMP Cc1csc([C@H](C)[NH2+]CCC[NH3+])n1 70634596 571710414 /nfs/dbraw/zinc/71/04/14/571710414.db2.gz JYKBPMRACOKDQM-QMMMGPOBSA-N 2 1 199.323 1.451 10 0 ADAEMP C[C@H]([NH2+]C[C@H](C)C[NH3+])c1nccs1 70634516 571710484 /nfs/dbraw/zinc/71/04/84/571710484.db2.gz CYZVTDJPECRURP-SFYZADRCSA-N 2 1 199.323 1.389 10 0 ADAEMP Cc1csc([C@@H](C)[NH2+]CCC[NH3+])n1 70634595 571710701 /nfs/dbraw/zinc/71/07/01/571710701.db2.gz JYKBPMRACOKDQM-MRVPVSSYSA-N 2 1 199.323 1.451 10 0 ADAEMP [NH3+]CC[NH2+]CCC1CCCCCC1 168417089 571710898 /nfs/dbraw/zinc/71/08/98/571710898.db2.gz RSTFAUWEEIJHOT-UHFFFAOYSA-N 2 1 184.327 1.895 10 0 ADAEMP C/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 388438294 571711252 /nfs/dbraw/zinc/71/12/52/571711252.db2.gz BWVYZRVLYHKJAK-WZQADMAKSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H](C[NH3+])C[NH2+][C@H](C)c1nccs1 70634517 571711341 /nfs/dbraw/zinc/71/13/41/571711341.db2.gz CYZVTDJPECRURP-JGVFFNPUSA-N 2 1 199.323 1.389 10 0 ADAEMP C/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 388438293 571711381 /nfs/dbraw/zinc/71/13/81/571711381.db2.gz BWVYZRVLYHKJAK-CJOPTALJSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1nccs1 70634515 571711534 /nfs/dbraw/zinc/71/15/34/571711534.db2.gz CYZVTDJPECRURP-YUMQZZPRSA-N 2 1 199.323 1.389 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1[C@H]1CC1(C)C 712139790 571711607 /nfs/dbraw/zinc/71/16/07/571711607.db2.gz YOSBGBFBLWCDEL-UTLUCORTSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@H]1[C@@H]1CC1(C)C 712139781 571711873 /nfs/dbraw/zinc/71/18/73/571711873.db2.gz YOSBGBFBLWCDEL-GUBZILKMSA-N 2 1 182.311 1.454 10 0 ADAEMP Nc1[nH+]cccc1CC[C@@H]([NH3+])C1CC1 70638698 571712005 /nfs/dbraw/zinc/71/20/05/571712005.db2.gz VFLXEBPFDMNELD-SNVBAGLBSA-N 2 1 191.278 1.334 10 0 ADAEMP CC(C)[C@@H]([NH3+])CCc1[nH+]ccn1C 70638302 571713475 /nfs/dbraw/zinc/71/34/75/571713475.db2.gz FWQAPTHJTVKZHA-VIFPVBQESA-N 2 1 181.283 1.336 10 0 ADAEMP CCn1cc[nH+]c1CC[C@@H](C)[NH3+] 70636224 571712055 /nfs/dbraw/zinc/71/20/55/571712055.db2.gz VFPMAPOVEQLYNY-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP CCC[NH2+]CCCc1[nH+]ccn1CC 70639268 571712087 /nfs/dbraw/zinc/71/20/87/571712087.db2.gz GYGRPNMBBOTOLX-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](CC1CC1)C1CC1 70636034 571712472 /nfs/dbraw/zinc/71/24/72/571712472.db2.gz KJXYFVGKSIWAAP-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])CCCc1ccc[nH+]c1N 70636343 571712258 /nfs/dbraw/zinc/71/22/58/571712258.db2.gz RPLNGZNNSGXOQR-QMMMGPOBSA-N 2 1 179.267 1.334 10 0 ADAEMP CCCC1([C@@H]2[C@H]([NH3+])CC[N@H+]2CC)CC1 712140379 571712301 /nfs/dbraw/zinc/71/23/01/571712301.db2.gz ZWFALBKSHWFZRH-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](CC1CC1)C1CC1 70635730 571712313 /nfs/dbraw/zinc/71/23/13/571712313.db2.gz ZKAIHOYXMTYRHV-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP Nc1[nH+]cccc1CC[C@H]([NH3+])C1CC1 70638695 571712334 /nfs/dbraw/zinc/71/23/34/571712334.db2.gz VFLXEBPFDMNELD-JTQLQIEISA-N 2 1 191.278 1.334 10 0 ADAEMP CC(C)[C@H]([NH3+])CCc1ccc[nH+]c1N 70638431 571712387 /nfs/dbraw/zinc/71/23/87/571712387.db2.gz TWTCMOXJRFUAIQ-SNVBAGLBSA-N 2 1 193.294 1.580 10 0 ADAEMP Cn1cc[nH+]c1CC[C@H]([NH3+])C1CC1 70638525 571712418 /nfs/dbraw/zinc/71/24/18/571712418.db2.gz ONHUIVGJVNVZDF-VIFPVBQESA-N 2 1 179.267 1.090 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](CC1CC1)C1CC1 70635279 571712452 /nfs/dbraw/zinc/71/24/52/571712452.db2.gz NYOACOCBUXZDRI-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[NH2+]CCCc1ccc[nH+]c1N 70639290 571712509 /nfs/dbraw/zinc/71/25/09/571712509.db2.gz VIDWSRXHEPJULS-UHFFFAOYSA-N 2 1 193.294 1.596 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](CC1CC1)C1CC1 70635526 571713492 /nfs/dbraw/zinc/71/34/92/571713492.db2.gz DKTPPFXDKZGLIV-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[NH2+]CCCc1[nH+]ccn1C 70639262 571712526 /nfs/dbraw/zinc/71/25/26/571712526.db2.gz TYBFTQXRGPNRHO-UHFFFAOYSA-N 2 1 181.283 1.352 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](CC1CC1)C1CC1 70635296 571712532 /nfs/dbraw/zinc/71/25/32/571712532.db2.gz SHMCQBPKSNTXKL-VIFPVBQESA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]CCCC[N@@H+](CC1CC1)C1CC1 70635290 571712561 /nfs/dbraw/zinc/71/25/61/571712561.db2.gz COQLKQYPHFMNGB-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@@H+](CC1CC1)C1CC1 70635823 571712568 /nfs/dbraw/zinc/71/25/68/571712568.db2.gz WRHNECPGSNALMO-LBPRGKRZSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H]([NH3+])CCc1[nH+]ccn1CC 70638068 571712615 /nfs/dbraw/zinc/71/26/15/571712615.db2.gz GCMZAMQAFUWMBB-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CCn1cc[nH+]c1CC[C@@H]([NH3+])C1CC1 70638578 571712627 /nfs/dbraw/zinc/71/26/27/571712627.db2.gz XWAYCMOISRDGRY-SNVBAGLBSA-N 2 1 193.294 1.573 10 0 ADAEMP CCC[C@@H]([NH3+])CCc1ccc[nH+]c1N 70637541 571712636 /nfs/dbraw/zinc/71/26/36/571712636.db2.gz VDWLPXUDPKRRJH-SNVBAGLBSA-N 2 1 193.294 1.724 10 0 ADAEMP Cn1cc[nH+]c1CC[C@H]([NH3+])C(C)(C)C 70638788 571712641 /nfs/dbraw/zinc/71/26/41/571712641.db2.gz JUWYDCHKLTZJDQ-VIFPVBQESA-N 2 1 195.310 1.726 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](CC1CC1)C1CC1 70635527 571713541 /nfs/dbraw/zinc/71/35/41/571713541.db2.gz DKTPPFXDKZGLIV-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@@H+](CC1CC1)C1CC1 70635821 571713892 /nfs/dbraw/zinc/71/38/92/571713892.db2.gz WRHNECPGSNALMO-GFCCVEGCSA-N 2 1 196.338 1.844 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@H]([NH3+])CC 70638124 571712786 /nfs/dbraw/zinc/71/27/86/571712786.db2.gz VTOQEXBBGHFQAU-SNVBAGLBSA-N 2 1 195.310 1.963 10 0 ADAEMP CC[C@H]([NH3+])CCc1ccc[nH+]c1N 70638194 571712792 /nfs/dbraw/zinc/71/27/92/571712792.db2.gz OESLPWNNQGDGQD-VIFPVBQESA-N 2 1 179.267 1.334 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](CC1CC1)C1CC1 70635298 571712806 /nfs/dbraw/zinc/71/28/06/571712806.db2.gz SHMCQBPKSNTXKL-SECBINFHSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](CCC[NH3+])[N@@H+](CC1CC1)C1CC1 70636095 571712882 /nfs/dbraw/zinc/71/28/82/571712882.db2.gz SDPFLLCZSUVIFJ-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@@H+](CC1CC1)C1CC1 70636035 571712944 /nfs/dbraw/zinc/71/29/44/571712944.db2.gz KJXYFVGKSIWAAP-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@H]([NH3+])CCc1ccc[nH+]c1N 70637540 571712976 /nfs/dbraw/zinc/71/29/76/571712976.db2.gz VDWLPXUDPKRRJH-JTQLQIEISA-N 2 1 193.294 1.724 10 0 ADAEMP CCC[C@@H]([NH3+])CCc1[nH+]ccn1CC 70637478 571713038 /nfs/dbraw/zinc/71/30/38/571713038.db2.gz LFGLONXEABCXJU-SNVBAGLBSA-N 2 1 195.310 1.963 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H]1[C@H]1CC1(C)C 712139785 571713046 /nfs/dbraw/zinc/71/30/46/571713046.db2.gz YOSBGBFBLWCDEL-KXUCPTDWSA-N 2 1 182.311 1.454 10 0 ADAEMP CCn1cc[nH+]c1CC[C@H]([NH3+])C1CC1 70638575 571713078 /nfs/dbraw/zinc/71/30/78/571713078.db2.gz XWAYCMOISRDGRY-JTQLQIEISA-N 2 1 193.294 1.573 10 0 ADAEMP CCCn1cc[nH+]c1CCC[NH2+]CC 70639212 571713105 /nfs/dbraw/zinc/71/31/05/571713105.db2.gz XLXNRUYSIATMBG-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP [NH3+]CCCCC[N@@H+](CC1CC1)C1CC1 70635287 571713184 /nfs/dbraw/zinc/71/31/84/571713184.db2.gz ULNGKBNNSSIYBG-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+](CC1CC1)C1CC1 70636046 571713199 /nfs/dbraw/zinc/71/31/99/571713199.db2.gz YEXCICQQJLUXBE-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+](CC1CC1)C1CC1 70636046 571713202 /nfs/dbraw/zinc/71/32/02/571713202.db2.gz YEXCICQQJLUXBE-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]([NH3+])CCCc1ccc[nH+]c1N 70636345 571713234 /nfs/dbraw/zinc/71/32/34/571713234.db2.gz RPLNGZNNSGXOQR-MRVPVSSYSA-N 2 1 179.267 1.334 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CCC2(CC2)C1 400001825 571713238 /nfs/dbraw/zinc/71/32/38/571713238.db2.gz OHKLYRGZDOUTLH-UHFFFAOYSA-N 2 1 182.311 1.472 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+](CC1CC1)C1CC1 70635575 571713260 /nfs/dbraw/zinc/71/32/60/571713260.db2.gz YEEXINOUMPFKRR-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+](CC1CC1)C1CC1 70635575 571713261 /nfs/dbraw/zinc/71/32/61/571713261.db2.gz YEEXINOUMPFKRR-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP Cn1cc[nH+]c1CC[C@@H]([NH3+])C(C)(C)C 70638784 571713268 /nfs/dbraw/zinc/71/32/68/571713268.db2.gz JUWYDCHKLTZJDQ-SECBINFHSA-N 2 1 195.310 1.726 10 0 ADAEMP CCC[C@@H]([NH3+])CCc1[nH+]ccn1C 70637462 571713274 /nfs/dbraw/zinc/71/32/74/571713274.db2.gz AZJXTIRPUYREDZ-SECBINFHSA-N 2 1 181.283 1.480 10 0 ADAEMP CCC[NH2+]CC[N@H+](CC1CC1)C1CC1 70635589 571713330 /nfs/dbraw/zinc/71/33/30/571713330.db2.gz ZEFYMSWTRIKGPG-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[NH2+]CC[N@@H+](CC1CC1)C1CC1 70635589 571713332 /nfs/dbraw/zinc/71/33/32/571713332.db2.gz ZEFYMSWTRIKGPG-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](CC1CC1)C1CC1 70635732 571713420 /nfs/dbraw/zinc/71/34/20/571713420.db2.gz ZKAIHOYXMTYRHV-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](CC1CC1)C1CC1 70635308 571713428 /nfs/dbraw/zinc/71/34/28/571713428.db2.gz DBXPDIWTXRSAJO-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]([NH3+])CCc1ccc[nH+]c1N 70638198 571713454 /nfs/dbraw/zinc/71/34/54/571713454.db2.gz OESLPWNNQGDGQD-SECBINFHSA-N 2 1 179.267 1.334 10 0 ADAEMP CC[NH2+]CCCCc1ccc[nH+]c1N 70639233 571713458 /nfs/dbraw/zinc/71/34/58/571713458.db2.gz OXHBMBCXBYMSJI-UHFFFAOYSA-N 2 1 193.294 1.596 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](CC1CC1)C1CC1 70635310 571713460 /nfs/dbraw/zinc/71/34/60/571713460.db2.gz DBXPDIWTXRSAJO-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]([NH3+])CCc1[nH+]ccn1CC 70638071 571713512 /nfs/dbraw/zinc/71/35/12/571713512.db2.gz GCMZAMQAFUWMBB-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@H](C)[NH3+] 70636280 571713566 /nfs/dbraw/zinc/71/35/66/571713566.db2.gz GDKKEXUZRPDCJW-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CC[NH2+]CCCc1[nH+]ccn1CC 70639197 571713620 /nfs/dbraw/zinc/71/36/20/571713620.db2.gz PEFBTVWNQAKQNG-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP CCn1cc[nH+]c1CC[C@H]([NH3+])C(C)C 70638331 571713637 /nfs/dbraw/zinc/71/36/37/571713637.db2.gz VCQYOIMEHBPFAV-JTQLQIEISA-N 2 1 195.310 1.819 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](CC1CC1)C1CC1 70635444 571713777 /nfs/dbraw/zinc/71/37/77/571713777.db2.gz KXQMAKKKLVOIFE-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[NH2+]CCCc1ccc[nH+]c1N 70639230 571713849 /nfs/dbraw/zinc/71/38/49/571713849.db2.gz DYNLXTPFYZQHBS-UHFFFAOYSA-N 2 1 179.267 1.206 10 0 ADAEMP CC[C@@H](C[N@H+](CC1CC1)C1CC1)[NH2+]C 70635739 571713857 /nfs/dbraw/zinc/71/38/57/571713857.db2.gz OSJNUMFGCFEQKH-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C[N@@H+](CC1CC1)C1CC1)[NH2+]C 70635739 571713859 /nfs/dbraw/zinc/71/38/59/571713859.db2.gz OSJNUMFGCFEQKH-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]([NH3+])CCc1[nH+]ccn1C 70638020 571713983 /nfs/dbraw/zinc/71/39/83/571713983.db2.gz AQQYJWXHCQGWLS-MRVPVSSYSA-N 2 1 167.256 1.090 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+](CC1CC1)C1CC1 70635573 571714025 /nfs/dbraw/zinc/71/40/25/571714025.db2.gz YEEXINOUMPFKRR-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+](CC1CC1)C1CC1 70635573 571714029 /nfs/dbraw/zinc/71/40/29/571714029.db2.gz YEEXINOUMPFKRR-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C[NH3+])C[N@@H+](CC1CC1)C1CC1 70636013 571714046 /nfs/dbraw/zinc/71/40/46/571714046.db2.gz HCEDSLQDUNQVSS-UHFFFAOYSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@@H](C)[NH3+] 70636278 571714056 /nfs/dbraw/zinc/71/40/56/571714056.db2.gz GDKKEXUZRPDCJW-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](CC1CC1)C1CC1 70635282 571714062 /nfs/dbraw/zinc/71/40/62/571714062.db2.gz NYOACOCBUXZDRI-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCC1([C@H]2[C@@H]([NH3+])CC[N@H+]2CC)CC1 712140382 571714469 /nfs/dbraw/zinc/71/44/69/571714469.db2.gz ZWFALBKSHWFZRH-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@@H]([NH3+])CCc1ccc[nH+]c1N 70638436 571714090 /nfs/dbraw/zinc/71/40/90/571714090.db2.gz TWTCMOXJRFUAIQ-JTQLQIEISA-N 2 1 193.294 1.580 10 0 ADAEMP CC[C@@H]([NH3+])CCCc1ccc[nH+]c1N 70638208 571714095 /nfs/dbraw/zinc/71/40/95/571714095.db2.gz GDZXVDLWRPGHQH-SNVBAGLBSA-N 2 1 193.294 1.724 10 0 ADAEMP CCC[C@H]([NH3+])CCc1[nH+]ccn1CC 70637477 571714140 /nfs/dbraw/zinc/71/41/40/571714140.db2.gz LFGLONXEABCXJU-JTQLQIEISA-N 2 1 195.310 1.963 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@@H]([NH3+])CC 70638128 571714148 /nfs/dbraw/zinc/71/41/48/571714148.db2.gz VTOQEXBBGHFQAU-JTQLQIEISA-N 2 1 195.310 1.963 10 0 ADAEMP CCn1cc[nH+]c1CC[C@H](C)[NH3+] 70636226 571714190 /nfs/dbraw/zinc/71/41/90/571714190.db2.gz VFPMAPOVEQLYNY-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP CC(C)[C@H]([NH3+])CCc1[nH+]ccn1C 70638299 571714210 /nfs/dbraw/zinc/71/42/10/571714210.db2.gz FWQAPTHJTVKZHA-SECBINFHSA-N 2 1 181.283 1.336 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](CC1CC1)C1CC1 70635442 571714244 /nfs/dbraw/zinc/71/42/44/571714244.db2.gz KXQMAKKKLVOIFE-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP Cn1cc[nH+]c1CC[C@@H]([NH3+])C1CC1 70638528 571714251 /nfs/dbraw/zinc/71/42/51/571714251.db2.gz ONHUIVGJVNVZDF-SECBINFHSA-N 2 1 179.267 1.090 10 0 ADAEMP C[NH2+]CCC[N@@H+](CC1CC1)C1CC1 70635683 571714255 /nfs/dbraw/zinc/71/42/55/571714255.db2.gz NHGNNRWBAAPSOP-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH+](C)[C@H](CC[NH3+])c1ccncc1 11730886 571714278 /nfs/dbraw/zinc/71/42/78/571714278.db2.gz OMEWDQNRYCGWRZ-SNVBAGLBSA-N 2 1 179.267 1.033 10 0 ADAEMP CC[C@H]([NH3+])CCc1[nH+]ccn1C 70638016 571714281 /nfs/dbraw/zinc/71/42/81/571714281.db2.gz AQQYJWXHCQGWLS-QMMMGPOBSA-N 2 1 167.256 1.090 10 0 ADAEMP CC[C@H](C[N@H+](CC1CC1)C1CC1)[NH2+]C 70635741 571714363 /nfs/dbraw/zinc/71/43/63/571714363.db2.gz OSJNUMFGCFEQKH-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C[N@@H+](CC1CC1)C1CC1)[NH2+]C 70635741 571714368 /nfs/dbraw/zinc/71/43/68/571714368.db2.gz OSJNUMFGCFEQKH-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CCn1cc[nH+]c1CC[C@@H]([NH3+])C(C)C 70638332 571714396 /nfs/dbraw/zinc/71/43/96/571714396.db2.gz VCQYOIMEHBPFAV-SNVBAGLBSA-N 2 1 195.310 1.819 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+](CC1CC1)C1CC1 70636093 571714478 /nfs/dbraw/zinc/71/44/78/571714478.db2.gz SDPFLLCZSUVIFJ-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]([NH3+])CCCc1ccc[nH+]c1N 70638206 571714516 /nfs/dbraw/zinc/71/45/16/571714516.db2.gz GDZXVDLWRPGHQH-JTQLQIEISA-N 2 1 193.294 1.724 10 0 ADAEMP CCCC1([C@H]2[C@H]([NH3+])CC[N@H+]2CC)CC1 712140377 571714690 /nfs/dbraw/zinc/71/46/90/571714690.db2.gz ZWFALBKSHWFZRH-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@H](C)CCCc1ccc[nH+]c1N 70639743 571715024 /nfs/dbraw/zinc/71/50/24/571715024.db2.gz TYZPUKZKWONLPN-SECBINFHSA-N 2 1 193.294 1.594 10 0 ADAEMP CC[C@@H](CCc1ccc[nH+]c1N)[NH2+]C 70642134 571715030 /nfs/dbraw/zinc/71/50/30/571715030.db2.gz ZHDJMUCQIZFBJU-JTQLQIEISA-N 2 1 193.294 1.594 10 0 ADAEMP C[C@@H](CC(F)F)C[C@H]([NH3+])C[NH+](C)C 687923856 571715048 /nfs/dbraw/zinc/71/50/48/571715048.db2.gz OHZZENGRYJZNAP-SFYZADRCSA-N 2 1 194.269 1.557 10 0 ADAEMP Cn1cc[nH+]c1CCC[NH2+]C(C)(C)C 70639430 571715066 /nfs/dbraw/zinc/71/50/66/571715066.db2.gz HSMLUCBYYZLSEI-UHFFFAOYSA-N 2 1 195.310 1.741 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@@H](C)[NH2+]C 70639695 571715073 /nfs/dbraw/zinc/71/50/73/571715073.db2.gz NAXGNNCLVSVCOK-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP Nc1[nH+]cccc1CCC[NH2+]C1CC1 70639406 571715941 /nfs/dbraw/zinc/71/59/41/571715941.db2.gz ZKHAVOPSTUZZCN-UHFFFAOYSA-N 2 1 191.278 1.348 10 0 ADAEMP C[NH+](C)[C@H](CC[NH3+])c1cccnc1 11730888 571715107 /nfs/dbraw/zinc/71/51/07/571715107.db2.gz ZSHCHUMHDBOXKK-SNVBAGLBSA-N 2 1 179.267 1.033 10 0 ADAEMP CCC[C@H](CCc1[nH+]ccn1C)[NH2+]C 70641797 571715944 /nfs/dbraw/zinc/71/59/44/571715944.db2.gz KLYLQTKYDQFTGM-SNVBAGLBSA-N 2 1 195.310 1.741 10 0 ADAEMP C[NH2+][C@@H](CCc1[nH+]ccn1C)C1CC1 70642435 571715168 /nfs/dbraw/zinc/71/51/68/571715168.db2.gz GDMLERIJMZAUBA-JTQLQIEISA-N 2 1 193.294 1.351 10 0 ADAEMP C[C@@H](CC(F)F)C[C@@H]([NH3+])C[NH+](C)C 687923854 571715203 /nfs/dbraw/zinc/71/52/03/571715203.db2.gz OHZZENGRYJZNAP-HTQZYQBOSA-N 2 1 194.269 1.557 10 0 ADAEMP CC(C)[NH2+]CCCc1ccc[nH+]c1N 70639345 571715208 /nfs/dbraw/zinc/71/52/08/571715208.db2.gz UHAAWUHNYFDGJH-UHFFFAOYSA-N 2 1 193.294 1.594 10 0 ADAEMP Cn1cc[nH+]c1CCC[NH2+]C1CC1 70639369 571715272 /nfs/dbraw/zinc/71/52/72/571715272.db2.gz IARAXSCSVYLQGV-UHFFFAOYSA-N 2 1 179.267 1.105 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+](C)C2CC2)C1 37159234 571715289 /nfs/dbraw/zinc/71/52/89/571715289.db2.gz AEQQBFNAWLOBBD-JFGNBEQYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH2+][C@H](CCc1[nH+]ccn1C)C1CC1 70642436 571715310 /nfs/dbraw/zinc/71/53/10/571715310.db2.gz GDMLERIJMZAUBA-SNVBAGLBSA-N 2 1 193.294 1.351 10 0 ADAEMP CCC[NH2+][C@@H](C)CCc1[nH+]ccn1C 70639940 571715322 /nfs/dbraw/zinc/71/53/22/571715322.db2.gz OKTAEVUGIZNRRQ-JTQLQIEISA-N 2 1 195.310 1.741 10 0 ADAEMP CC[NH2+][C@@H](C)CCc1[nH+]ccn1CC 70639822 571715342 /nfs/dbraw/zinc/71/53/42/571715342.db2.gz AMCQVTYVOIONOV-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CC[C@H](CCc1[nH+]ccn1C)[NH2+]C 70642087 571715407 /nfs/dbraw/zinc/71/54/07/571715407.db2.gz DCBSPCPOWYUMBN-SECBINFHSA-N 2 1 181.283 1.351 10 0 ADAEMP CC[NH2+][C@H](CC)CCc1[nH+]ccn1C 70642165 571715415 /nfs/dbraw/zinc/71/54/15/571715415.db2.gz FFFCFFWHXJUEKV-SNVBAGLBSA-N 2 1 195.310 1.741 10 0 ADAEMP C[C@H](CC(F)F)C[C@H]([NH3+])C[NH+](C)C 687923857 571715468 /nfs/dbraw/zinc/71/54/68/571715468.db2.gz OHZZENGRYJZNAP-YUMQZZPRSA-N 2 1 194.269 1.557 10 0 ADAEMP C[NH+](C)[C@@H](CC[NH3+])c1ccncc1 11730885 571715473 /nfs/dbraw/zinc/71/54/73/571715473.db2.gz OMEWDQNRYCGWRZ-JTQLQIEISA-N 2 1 179.267 1.033 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] 37159242 571715962 /nfs/dbraw/zinc/71/59/62/571715962.db2.gz GHZCEJWGKGLEBA-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H](CCc1[nH+]ccn1CC)[NH2+]C 70642098 571715523 /nfs/dbraw/zinc/71/55/23/571715523.db2.gz KJUJAVPFFLWIOG-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CC[C@H](CCc1ccc[nH+]c1N)[NH2+]C 70642135 571715985 /nfs/dbraw/zinc/71/59/85/571715985.db2.gz ZHDJMUCQIZFBJU-SNVBAGLBSA-N 2 1 193.294 1.594 10 0 ADAEMP C[N@@H+](C1CCCC1)[C@H]1CCC[C@@H]1C[NH3+] 37159389 571715579 /nfs/dbraw/zinc/71/55/79/571715579.db2.gz STFSBEKFROHRCJ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H](C)CCCc1ccc[nH+]c1N 70639741 571715624 /nfs/dbraw/zinc/71/56/24/571715624.db2.gz TYZPUKZKWONLPN-VIFPVBQESA-N 2 1 193.294 1.594 10 0 ADAEMP CCC[C@@H](CCc1[nH+]ccn1C)[NH2+]C 70641796 571715670 /nfs/dbraw/zinc/71/56/70/571715670.db2.gz KLYLQTKYDQFTGM-JTQLQIEISA-N 2 1 195.310 1.741 10 0 ADAEMP C[NH2+][C@H](C)CCc1ccc[nH+]c1N 70639735 571715690 /nfs/dbraw/zinc/71/56/90/571715690.db2.gz NOODFYUVEXPLRB-MRVPVSSYSA-N 2 1 179.267 1.204 10 0 ADAEMP C[C@H](CC(F)F)C[C@@H]([NH3+])C[NH+](C)C 687923855 571715708 /nfs/dbraw/zinc/71/57/08/571715708.db2.gz OHZZENGRYJZNAP-JGVFFNPUSA-N 2 1 194.269 1.557 10 0 ADAEMP CC[NH2+][C@@H](C)CCc1[nH+]ccn1C 70639803 571715900 /nfs/dbraw/zinc/71/59/00/571715900.db2.gz DXHKLLGPHGHLHA-VIFPVBQESA-N 2 1 181.283 1.351 10 0 ADAEMP C[NH+](C)[C@@H](CC[NH3+])c1cccnc1 11730887 571715887 /nfs/dbraw/zinc/71/58/87/571715887.db2.gz ZSHCHUMHDBOXKK-JTQLQIEISA-N 2 1 179.267 1.033 10 0 ADAEMP C[N@@H+](C1CCCC1)[C@@H]1CCC[C@@H]1C[NH3+] 37159387 571715922 /nfs/dbraw/zinc/71/59/22/571715922.db2.gz STFSBEKFROHRCJ-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 37157102 571716347 /nfs/dbraw/zinc/71/63/47/571716347.db2.gz JEEFLEYNEYENJC-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] 37159244 571716089 /nfs/dbraw/zinc/71/60/89/571716089.db2.gz GHZCEJWGKGLEBA-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@H](CCc1[nH+]ccn1C)C(C)C 70642303 571716103 /nfs/dbraw/zinc/71/61/03/571716103.db2.gz JIKQOSQYSLWEKU-SNVBAGLBSA-N 2 1 195.310 1.597 10 0 ADAEMP CCn1cc[nH+]c1CC[C@H](C)[NH2+]C 70639659 571716262 /nfs/dbraw/zinc/71/62/62/571716262.db2.gz HZSULCOXBUZTHU-VIFPVBQESA-N 2 1 181.283 1.444 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] 37159132 571716300 /nfs/dbraw/zinc/71/63/00/571716300.db2.gz XOHOOZXOPSIZOE-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@H](C)CCc1ccc[nH+]c1N 70639887 571716366 /nfs/dbraw/zinc/71/63/66/571716366.db2.gz AEVOYKHBSWTIIG-SECBINFHSA-N 2 1 193.294 1.594 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+](C)C2CC2)C1 37159230 571716412 /nfs/dbraw/zinc/71/64/12/571716412.db2.gz AEQQBFNAWLOBBD-CKYFFXLPSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[C@@H](C[N@@H+]1CCC2(CC2)C1)[NH2+]C 400002749 571717201 /nfs/dbraw/zinc/71/72/01/571717201.db2.gz PADAKQBIJFMNAC-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@@H](C[N@H+]1CCC2(CC2)C1)[NH2+]C 400002749 571717205 /nfs/dbraw/zinc/71/72/05/571717205.db2.gz PADAKQBIJFMNAC-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@H](C)C1 70644486 571717245 /nfs/dbraw/zinc/71/72/45/571717245.db2.gz MIHAWJXRJYUCAC-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[C@H](C[N@@H+]1CCC2(CC2)C1)[NH2+]C 400002747 571717366 /nfs/dbraw/zinc/71/73/66/571717366.db2.gz PADAKQBIJFMNAC-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@H](C[N@H+]1CCC2(CC2)C1)[NH2+]C 400002747 571717367 /nfs/dbraw/zinc/71/73/67/571717367.db2.gz PADAKQBIJFMNAC-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H]1CC[C@](C[NH3+])([NH2+]C(C)C)C1 70644492 571717500 /nfs/dbraw/zinc/71/75/00/571717500.db2.gz WWWQNXXTQQZELI-MNOVXSKESA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H]1CC[C@@](C[NH3+])([NH2+]C2CC2)C1 70644499 571717556 /nfs/dbraw/zinc/71/75/56/571717556.db2.gz VTSDTGKUTCNACX-GXSJLCMTSA-N 2 1 182.311 1.646 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 70643342 571717782 /nfs/dbraw/zinc/71/77/82/571717782.db2.gz ALWQTDWVPFCZOS-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H]1CC[C@@](C[NH3+])([NH2+]C(C)C)C1 70644490 571718096 /nfs/dbraw/zinc/71/80/96/571718096.db2.gz WWWQNXXTQQZELI-GHMZBOCLSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CC[C@H](CC)C1 70644477 571718212 /nfs/dbraw/zinc/71/82/12/571718212.db2.gz FBJJKDRPBQOQAD-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@H](CC)C1 70644475 571718307 /nfs/dbraw/zinc/71/83/07/571718307.db2.gz FBJJKDRPBQOQAD-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@H](CC)C1 70644482 571718341 /nfs/dbraw/zinc/71/83/41/571718341.db2.gz RBTSXAPDRXLNJR-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CC[C@@H](CC)C1 70644485 571718492 /nfs/dbraw/zinc/71/84/92/571718492.db2.gz RBTSXAPDRXLNJR-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C)C2)C1 70644920 571718407 /nfs/dbraw/zinc/71/84/07/571718407.db2.gz TYJCCRCYVYYPDA-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H]1CC[C@@](C[NH3+])([NH2+]C2CC2)C1 70644498 571718546 /nfs/dbraw/zinc/71/85/46/571718546.db2.gz VTSDTGKUTCNACX-MWLCHTKSSA-N 2 1 182.311 1.646 10 0 ADAEMP CC[C@H]1CC[C@@](C[NH3+])([NH2+]C(C)C)C1 70644491 571718565 /nfs/dbraw/zinc/71/85/65/571718565.db2.gz WWWQNXXTQQZELI-WDEREUQCSA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@@H](CC)C1 70644484 571718581 /nfs/dbraw/zinc/71/85/81/571718581.db2.gz RBTSXAPDRXLNJR-GHMZBOCLSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@H]1CC[C@](C[NH3+])([NH2+]C2CC2)C1 70644501 571718758 /nfs/dbraw/zinc/71/87/58/571718758.db2.gz VTSDTGKUTCNACX-ONGXEEELSA-N 2 1 182.311 1.646 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C1 70644489 571718896 /nfs/dbraw/zinc/71/88/96/571718896.db2.gz MIHAWJXRJYUCAC-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H]1CC[C@](C[NH3+])([NH2+]C2CC2)C1 70644500 571718957 /nfs/dbraw/zinc/71/89/57/571718957.db2.gz VTSDTGKUTCNACX-KOLCDFICSA-N 2 1 182.311 1.646 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CC[C@H](C)C1 70644487 571719005 /nfs/dbraw/zinc/71/90/05/571719005.db2.gz MIHAWJXRJYUCAC-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@@H]1CC[N@H+](CCCF)[C@@H](C[NH3+])C1 235281692 571719085 /nfs/dbraw/zinc/71/90/85/571719085.db2.gz AHQSVLFTCCYVAY-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCF)[C@@H](C[NH3+])C1 235281692 571719088 /nfs/dbraw/zinc/71/90/88/571719088.db2.gz AHQSVLFTCCYVAY-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CC[C@H](CC)C1 70644483 571719198 /nfs/dbraw/zinc/71/91/98/571719198.db2.gz RBTSXAPDRXLNJR-QWRGUYRKSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@H]1CC[C@](C[NH3+])([NH2+]C(C)C)C1 70644493 571719255 /nfs/dbraw/zinc/71/92/55/571719255.db2.gz WWWQNXXTQQZELI-QWRGUYRKSA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@@H](C)C1 70644488 571719268 /nfs/dbraw/zinc/71/92/68/571719268.db2.gz MIHAWJXRJYUCAC-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CC[C@@H](CC)C1 70644476 571719299 /nfs/dbraw/zinc/71/92/99/571719299.db2.gz FBJJKDRPBQOQAD-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 70643340 571719318 /nfs/dbraw/zinc/71/93/18/571719318.db2.gz ALWQTDWVPFCZOS-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@]1(CC)C1CC1 712194319 571720034 /nfs/dbraw/zinc/72/00/34/571720034.db2.gz GYIKHRFJSINVAS-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](CC)[C@@H]1C1CCC1 712189645 571720074 /nfs/dbraw/zinc/72/00/74/571720074.db2.gz OIVAXBCHGREUCG-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@@H]1C1CCC1 712189645 571720079 /nfs/dbraw/zinc/72/00/79/571720079.db2.gz OIVAXBCHGREUCG-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1C1(C)CCC1 712194336 571720400 /nfs/dbraw/zinc/72/04/00/571720400.db2.gz GZBUTZCEIDFUDU-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C1(C)CCC1 712194336 571720402 /nfs/dbraw/zinc/72/04/02/571720402.db2.gz GZBUTZCEIDFUDU-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC1=C[C@H](C)C[C@H](C[NH2+]CC[NH3+])C1 235284858 571720593 /nfs/dbraw/zinc/72/05/93/571720593.db2.gz RPWKHZYUXRZIGM-ONGXEEELSA-N 2 1 182.311 1.527 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H]1C(C)C 712173526 571720691 /nfs/dbraw/zinc/72/06/91/571720691.db2.gz MMGGBQFSIZDLFX-RYUDHWBXSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H]1C(C)C 712173526 571720695 /nfs/dbraw/zinc/72/06/95/571720695.db2.gz MMGGBQFSIZDLFX-RYUDHWBXSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C)[C@H]1C1(C)CCC1 712194340 571720823 /nfs/dbraw/zinc/72/08/23/571720823.db2.gz GZBUTZCEIDFUDU-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)[C@H]1C1(C)CCC1 712194340 571720828 /nfs/dbraw/zinc/72/08/28/571720828.db2.gz GZBUTZCEIDFUDU-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCO[C@@H](C)[C@H]([NH3+])c1c[nH+]ccc1N 70648591 571720842 /nfs/dbraw/zinc/72/08/42/571720842.db2.gz JWQSUTBBLJCPKJ-XVKPBYJWSA-N 2 1 195.266 1.089 10 0 ADAEMP CCO[C@H](C)[C@H]([NH3+])c1c[nH+]ccc1N 70648592 571721428 /nfs/dbraw/zinc/72/14/28/571721428.db2.gz JWQSUTBBLJCPKJ-XCBNKYQSSA-N 2 1 195.266 1.089 10 0 ADAEMP CCO[C@H](C)[C@@H]([NH3+])c1c[nH+]ccc1N 70648594 571721473 /nfs/dbraw/zinc/72/14/73/571721473.db2.gz JWQSUTBBLJCPKJ-GMSGAONNSA-N 2 1 195.266 1.089 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C1(C)CCC1 712194329 571721816 /nfs/dbraw/zinc/72/18/16/571721816.db2.gz GZBUTZCEIDFUDU-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C1(C)CCC1 712194329 571721819 /nfs/dbraw/zinc/72/18/19/571721819.db2.gz GZBUTZCEIDFUDU-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CCO[C@@H](C)[C@@H]([NH3+])c1c[nH+]ccc1N 70648593 571721970 /nfs/dbraw/zinc/72/19/70/571721970.db2.gz JWQSUTBBLJCPKJ-OIBJUYFYSA-N 2 1 195.266 1.089 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1C1(C)CCC1 712194322 571722143 /nfs/dbraw/zinc/72/21/43/571722143.db2.gz GZBUTZCEIDFUDU-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C1(C)CCC1 712194322 571722145 /nfs/dbraw/zinc/72/21/45/571722145.db2.gz GZBUTZCEIDFUDU-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)[C@@]1(CC)C1CC1 712194307 571722226 /nfs/dbraw/zinc/72/22/26/571722226.db2.gz GYIKHRFJSINVAS-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H]1C(C)C 712173528 571722321 /nfs/dbraw/zinc/72/23/21/571722321.db2.gz MMGGBQFSIZDLFX-VXGBXAGGSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H]1C(C)C 712173528 571722323 /nfs/dbraw/zinc/72/23/23/571722323.db2.gz MMGGBQFSIZDLFX-VXGBXAGGSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C1CCCC1 712175612 571722579 /nfs/dbraw/zinc/72/25/79/571722579.db2.gz RALKAKIQXGWCHW-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C1CCCC1 712175612 571722582 /nfs/dbraw/zinc/72/25/82/571722582.db2.gz RALKAKIQXGWCHW-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](CC)[C@H]1C1CCC1 712189644 571723101 /nfs/dbraw/zinc/72/31/01/571723101.db2.gz OIVAXBCHGREUCG-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC)[C@H]1C1CCC1 712189644 571723103 /nfs/dbraw/zinc/72/31/03/571723103.db2.gz OIVAXBCHGREUCG-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1(C)C 712207074 571723763 /nfs/dbraw/zinc/72/37/63/571723763.db2.gz QIWKXOHOQIBIQM-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C)C12CC(C)(C)C2 712215415 571724461 /nfs/dbraw/zinc/72/44/61/571724461.db2.gz HZXAOMNBEDLRAL-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)C12CC(C)(C)C2 712215415 571724463 /nfs/dbraw/zinc/72/44/63/571724463.db2.gz HZXAOMNBEDLRAL-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C)C12CC(C)(C)C2 712215416 571724472 /nfs/dbraw/zinc/72/44/72/571724472.db2.gz HZXAOMNBEDLRAL-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)C12CC(C)(C)C2 712215416 571724474 /nfs/dbraw/zinc/72/44/74/571724474.db2.gz HZXAOMNBEDLRAL-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH+](C)[C@H](CC[NH3+])c1ccco1 11762354 571724940 /nfs/dbraw/zinc/72/49/40/571724940.db2.gz WVHOMUVJWSYJSX-MRVPVSSYSA-N 2 1 168.240 1.231 10 0 ADAEMP C[N@@H+]([C@@H]1CCSC1)C(C)(C)C[NH3+] 37174579 571725689 /nfs/dbraw/zinc/72/56/89/571725689.db2.gz NAKRITXMQKOSHZ-MRVPVSSYSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1(C)C 712207069 571725223 /nfs/dbraw/zinc/72/52/23/571725223.db2.gz QIWKXOHOQIBIQM-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 37168677 571725639 /nfs/dbraw/zinc/72/56/39/571725639.db2.gz FCCHHLOCNKPONT-HBNTYKKESA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 37168677 571725640 /nfs/dbraw/zinc/72/56/40/571725640.db2.gz FCCHHLOCNKPONT-HBNTYKKESA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H]1C1CC1 712203180 571725660 /nfs/dbraw/zinc/72/56/60/571725660.db2.gz NQOMIDWLKYWBBU-RYUDHWBXSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H]1C1CC1 712203180 571725662 /nfs/dbraw/zinc/72/56/62/571725662.db2.gz NQOMIDWLKYWBBU-RYUDHWBXSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H]1C1CC1 712203185 571725672 /nfs/dbraw/zinc/72/56/72/571725672.db2.gz NQOMIDWLKYWBBU-VXGBXAGGSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H]1C1CC1 712203185 571725675 /nfs/dbraw/zinc/72/56/75/571725675.db2.gz NQOMIDWLKYWBBU-VXGBXAGGSA-N 2 1 194.322 1.611 10 0 ADAEMP C[N@@H+]([C@H]1CCSC1)C(C)(C)C[NH3+] 37174580 571725999 /nfs/dbraw/zinc/72/59/99/571725999.db2.gz NAKRITXMQKOSHZ-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 37168679 571726091 /nfs/dbraw/zinc/72/60/91/571726091.db2.gz FCCHHLOCNKPONT-GARJFASQSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 37168679 571726094 /nfs/dbraw/zinc/72/60/94/571726094.db2.gz FCCHHLOCNKPONT-GARJFASQSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@H]1CCC[N@@H+](C)C1 214181887 571727098 /nfs/dbraw/zinc/72/70/98/571727098.db2.gz ZHKLSIUPCRVFGA-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP C/C=C/CC[NH2+]C(C)(C)C[NH3+] 168605877 571726647 /nfs/dbraw/zinc/72/66/47/571726647.db2.gz LGKIKRPCZGSBCL-SNAWJCMRSA-N 2 1 156.273 1.280 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@H]1CCC[N@@H+](C)CC1 214180939 571726790 /nfs/dbraw/zinc/72/67/90/571726790.db2.gz ZRTWLAALKIQYNF-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H](C[NH3+])C2CC2)CC1 214180547 571726814 /nfs/dbraw/zinc/72/68/14/571726814.db2.gz XBVYRNAFKLOUKE-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)(F)Cn1c[nH+]cc1CCC[NH3+] 214180044 571727111 /nfs/dbraw/zinc/72/71/11/571727111.db2.gz NDPNFFRFJJBBHF-UHFFFAOYSA-N 2 1 199.273 1.523 10 0 ADAEMP C[N@H+]1CC[C@@H]1[C@@H](CC[NH3+])C1CCCC1 214180151 571726895 /nfs/dbraw/zinc/72/68/95/571726895.db2.gz XWXDGYOQLTUBLA-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C/C=C/CC[NH2+][C@](C)(C[NH3+])C(C)C 168580113 571726936 /nfs/dbraw/zinc/72/69/36/571726936.db2.gz DAUJOZHOOMDVFW-MVIFTORASA-N 2 1 184.327 1.916 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@H]1CCC[N@@H+](C)CC1 214180994 571727346 /nfs/dbraw/zinc/72/73/46/571727346.db2.gz ZRTWLAALKIQYNF-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H](C[NH3+])C1CCCC1 214179302 571727715 /nfs/dbraw/zinc/72/77/15/571727715.db2.gz TXYQGTUHXHONLJ-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@@H]1CCCC[N@@H+]1C 214177899 571727405 /nfs/dbraw/zinc/72/74/05/571727405.db2.gz HGDJXEDBCNKVKX-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H](C1CCC1)[C@@H]1CCCC[N@H+]1C 214177899 571727410 /nfs/dbraw/zinc/72/74/10/571727410.db2.gz HGDJXEDBCNKVKX-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H](C[NH3+])C2CC2)CC1 214180604 571727511 /nfs/dbraw/zinc/72/75/11/571727511.db2.gz XBVYRNAFKLOUKE-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@H]1CCCC[N@H+]1C 214179166 571727582 /nfs/dbraw/zinc/72/75/82/571727582.db2.gz JGIQLSCZDZPDAQ-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@H]1CCCC[N@@H+]1C 214178775 571727638 /nfs/dbraw/zinc/72/76/38/571727638.db2.gz HGDJXEDBCNKVKX-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@H]1CCCC[N@H+]1C 214178775 571727642 /nfs/dbraw/zinc/72/76/42/571727642.db2.gz HGDJXEDBCNKVKX-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H](C[NH3+])C1CCCC1 214179246 571727738 /nfs/dbraw/zinc/72/77/38/571727738.db2.gz TXYQGTUHXHONLJ-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@@H]1CCCC[N@@H+](C)C1 214177064 571727772 /nfs/dbraw/zinc/72/77/72/571727772.db2.gz DEYNYMQWERQKAT-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H](C[NH3+])C2CCC2)C1 214181628 571727810 /nfs/dbraw/zinc/72/78/10/571727810.db2.gz AUCBDCBXABSFII-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CCCCC[C@H]1[C@@H](C[NH3+])C1CC1 214177452 571727865 /nfs/dbraw/zinc/72/78/65/571727865.db2.gz PSHWTQODIMLSJS-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCCC[C@H]([C@@H](C[NH3+])C2CC2)C1 214176870 571728074 /nfs/dbraw/zinc/72/80/74/571728074.db2.gz BAQSVVCDHWZBKB-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@@H]1CCC[N@@H+](C)C1 214181833 571728083 /nfs/dbraw/zinc/72/80/83/571728083.db2.gz ZHKLSIUPCRVFGA-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCCC[C@@H]([C@H]([NH3+])C2CCC2)C1 214176785 571728094 /nfs/dbraw/zinc/72/80/94/571728094.db2.gz PNLPELLMNRUQRE-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@H]1CCC[N@@H+](C)C1 214181945 571728102 /nfs/dbraw/zinc/72/81/02/571728102.db2.gz ZHKLSIUPCRVFGA-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C1CC1)[C@@H]1CCCC[N@H+]1C 214178992 571728203 /nfs/dbraw/zinc/72/82/03/571728203.db2.gz JGIQLSCZDZPDAQ-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@@H]1CCCC[N@@H+]1C 214177952 571728275 /nfs/dbraw/zinc/72/82/75/571728275.db2.gz HGDJXEDBCNKVKX-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H](C1CCC1)[C@@H]1CCCC[N@H+]1C 214177952 571728280 /nfs/dbraw/zinc/72/82/80/571728280.db2.gz HGDJXEDBCNKVKX-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C1CCC1)[C@@H]1CCC[N@H+]1C 214179573 571728299 /nfs/dbraw/zinc/72/82/99/571728299.db2.gz KEVLVUGDZPJFRS-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H](CC[NH3+])C1CCC1 214179448 571728323 /nfs/dbraw/zinc/72/83/23/571728323.db2.gz JINRWVXUOTXADI-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H](CC[NH3+])C2CCC2)C1 214182559 571731139 /nfs/dbraw/zinc/73/11/39/571731139.db2.gz WBODBYVQCBMZOD-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP C/C=C/CC[NH2+][C@H](C[NH3+])CCC 168585295 571728467 /nfs/dbraw/zinc/72/84/67/571728467.db2.gz BKAQMVUPFWJUNK-GFAPAMAISA-N 2 1 170.300 1.670 10 0 ADAEMP C[NH2+]C[C@H](C1CCC1)[C@H]1CCC[N@H+]1C 214179679 571728479 /nfs/dbraw/zinc/72/84/79/571728479.db2.gz KEVLVUGDZPJFRS-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C1CC1)[C@H]1CCCC[N@H+]1C 214179108 571728565 /nfs/dbraw/zinc/72/85/65/571728565.db2.gz JGIQLSCZDZPDAQ-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCCC[C@@H]([C@@H](C[NH3+])C2CC2)C1 214176924 571728598 /nfs/dbraw/zinc/72/85/98/571728598.db2.gz BAQSVVCDHWZBKB-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+]C[C@@H](C1CCC1)[C@@H]1CCC[N@H+]1C 214179520 571728611 /nfs/dbraw/zinc/72/86/11/571728611.db2.gz KEVLVUGDZPJFRS-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@H](C1CCCC1)[C@H]1CC[N@H+]1C 214180478 571728648 /nfs/dbraw/zinc/72/86/48/571728648.db2.gz JFBNPCXPTGCBLV-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H](CC[NH3+])C2CC2)C1 214182032 571728657 /nfs/dbraw/zinc/72/86/57/571728657.db2.gz KMQZAOUSOLAMBR-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP C/C=C/CC[NH2+][C@@](C)(C[NH3+])C(C)C 168580028 571728692 /nfs/dbraw/zinc/72/86/92/571728692.db2.gz DAUJOZHOOMDVFW-QRGHLMKCSA-N 2 1 184.327 1.916 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]([NH3+])C2CCC2)CC1 214180690 571728750 /nfs/dbraw/zinc/72/87/50/571728750.db2.gz SDAQGBYWVMIWKS-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@@H]1CCC[N@@H+](C)CC1 214180880 571728767 /nfs/dbraw/zinc/72/87/67/571728767.db2.gz ZRTWLAALKIQYNF-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH+](C)C[C@@H](C(N)=[NH2+])c1ccccc1 70836675 571728797 /nfs/dbraw/zinc/72/87/97/571728797.db2.gz GAVSJMMLAPHVIJ-SNVBAGLBSA-N 2 1 191.278 1.268 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@H]1CCCC[N@@H+](C)C1 214177172 571728827 /nfs/dbraw/zinc/72/88/27/571728827.db2.gz DEYNYMQWERQKAT-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@@H]1CCCC[N@H+]1C 214179051 571728910 /nfs/dbraw/zinc/72/89/10/571728910.db2.gz JGIQLSCZDZPDAQ-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C1CCC1)[C@H]1CCC[N@H+]1C 214179630 571728938 /nfs/dbraw/zinc/72/89/38/571728938.db2.gz KEVLVUGDZPJFRS-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]([NH3+])C2CCC2)CC1 214180746 571728986 /nfs/dbraw/zinc/72/89/86/571728986.db2.gz SDAQGBYWVMIWKS-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)(F)CCn1c[nH+]cc1CC[NH3+] 214180120 571729025 /nfs/dbraw/zinc/72/90/25/571729025.db2.gz GBXJAOOKQAVSAF-UHFFFAOYSA-N 2 1 199.273 1.523 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H](C[NH3+])C2CCC2)C1 214181689 571729045 /nfs/dbraw/zinc/72/90/45/571729045.db2.gz AUCBDCBXABSFII-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+][C@H](C1CC1)[C@@H]1CCC[N@@H+](C)CC1 214180825 571729057 /nfs/dbraw/zinc/72/90/57/571729057.db2.gz ZRTWLAALKIQYNF-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])C1CCC1 214177823 571729123 /nfs/dbraw/zinc/72/91/23/571729123.db2.gz ZWRYHJFJLKUWJU-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H](C1CC1)[C@H]1CCCC[N@@H+](C)C1 214177117 571729149 /nfs/dbraw/zinc/72/91/49/571729149.db2.gz DEYNYMQWERQKAT-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CC[C@H]1[C@@H](CC[NH3+])C1CCCC1 214180214 571729165 /nfs/dbraw/zinc/72/91/65/571729165.db2.gz XWXDGYOQLTUBLA-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H](CC[NH3+])C1CC1 214178847 571729222 /nfs/dbraw/zinc/72/92/22/571729222.db2.gz AJWVOANUOCONDD-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H](C1CCC1)[C@@H]1CC[N@@H+](C)C1 214182754 571729630 /nfs/dbraw/zinc/72/96/30/571729630.db2.gz CFMILTKROSOUAO-VXGBXAGGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@@H](C1CC1)[C@@H]1CCC[N@@H+](C)C1 214182170 571729768 /nfs/dbraw/zinc/72/97/68/571729768.db2.gz SUWIKQJQUVHKRI-NEPJUHHUSA-N 2 1 196.338 1.574 10 0 ADAEMP C/C=C/CC[NH2+][C@@](C)(CC)C[NH3+] 168605295 571730248 /nfs/dbraw/zinc/73/02/48/571730248.db2.gz YTTKLIJSABDPFF-RWCYGVJQSA-N 2 1 170.300 1.670 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H](CC[NH3+])C2CCC2)C1 214182617 571730281 /nfs/dbraw/zinc/73/02/81/571730281.db2.gz WBODBYVQCBMZOD-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP C/C=C/CC[NH2+]C1(C[NH3+])CCOCC1 168601416 571730430 /nfs/dbraw/zinc/73/04/30/571730430.db2.gz WWIKXLYNSDYEEO-NSCUHMNNSA-N 2 1 198.310 1.050 10 0 ADAEMP C/C=C/CC[NH2+][C@](C)(CC)C[NH3+] 168605396 571730454 /nfs/dbraw/zinc/73/04/54/571730454.db2.gz YTTKLIJSABDPFF-DFVUYQKZSA-N 2 1 170.300 1.670 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H](C[NH3+])C2CCCC2)C1 214182476 571730832 /nfs/dbraw/zinc/73/08/32/571730832.db2.gz CCEKSLTZQJJYGZ-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@@H]1CCC[N@@H+](C)C1 214182228 571730905 /nfs/dbraw/zinc/73/09/05/571730905.db2.gz SUWIKQJQUVHKRI-VXGBXAGGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@@H](C1CCC1)[C@H]1CC[N@@H+](C)C1 214182819 571730959 /nfs/dbraw/zinc/73/09/59/571730959.db2.gz CFMILTKROSOUAO-RYUDHWBXSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@@H](C1CCC1)[C@@H]1CC[N@@H+](C)C1 214182693 571731169 /nfs/dbraw/zinc/73/11/69/571731169.db2.gz CFMILTKROSOUAO-NEPJUHHUSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@@H](C1CC1)[C@H]1CCC[N@@H+](C)C1 214182276 571731179 /nfs/dbraw/zinc/73/11/79/571731179.db2.gz SUWIKQJQUVHKRI-RYUDHWBXSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@H](C1CCC1)[C@H]1CC[N@@H+](C)C1 214182877 571731436 /nfs/dbraw/zinc/73/14/36/571731436.db2.gz CFMILTKROSOUAO-NWDGAFQWSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH+](C)C[C@H](C(N)=[NH2+])c1ccccc1 70836672 571731531 /nfs/dbraw/zinc/73/15/31/571731531.db2.gz GAVSJMMLAPHVIJ-JTQLQIEISA-N 2 1 191.278 1.268 10 0 ADAEMP C[NH2+]C[C@H](C1CC1)[C@H]1CCC[N@@H+](C)C1 214182342 571731554 /nfs/dbraw/zinc/73/15/54/571731554.db2.gz SUWIKQJQUVHKRI-NWDGAFQWSA-N 2 1 196.338 1.574 10 0 ADAEMP C/C=C/CC[NH2+][C@@](C)(C[NH3+])C1CC1 168601209 571731577 /nfs/dbraw/zinc/73/15/77/571731577.db2.gz SZKHKQPCQJGLAR-UFFNRZRYSA-N 2 1 182.311 1.670 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H](C[NH3+])C2CCCC2)C1 214182418 571731721 /nfs/dbraw/zinc/73/17/21/571731721.db2.gz CCEKSLTZQJJYGZ-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CC1)CC1CC1 398144344 571732134 /nfs/dbraw/zinc/73/21/34/571732134.db2.gz KTCOHIBPFVGXDZ-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP C/C=C/CC[NH2+][C@](C)(C[NH3+])C1CC1 168601310 571732355 /nfs/dbraw/zinc/73/23/55/571732355.db2.gz SZKHKQPCQJGLAR-PGLGOXFNSA-N 2 1 182.311 1.670 10 0 ADAEMP C[NH2+]CCC[NH2+]Cc1scnc1C 70838322 571732849 /nfs/dbraw/zinc/73/28/49/571732849.db2.gz YRHUDZGZCOKNIW-UHFFFAOYSA-N 2 1 199.323 1.151 10 0 ADAEMP CC[N@@H+](C)Cc1ccc(F)cc1C[NH3+] 70849212 571734086 /nfs/dbraw/zinc/73/40/86/571734086.db2.gz NSYYGBWBFSSYHQ-UHFFFAOYSA-N 2 1 196.269 1.736 10 0 ADAEMP C[C@@H]1SCC[C@@H]1[N@@H+](C)CCC[NH3+] 235297563 571734363 /nfs/dbraw/zinc/73/43/63/571734363.db2.gz QJOBHZYLBIBIGB-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@](C)([NH3+])COc1cc[nH+]cc1C 70880576 571734878 /nfs/dbraw/zinc/73/48/78/571734878.db2.gz MWQHKAFIVCHLBH-NSHDSACASA-N 2 1 194.278 1.896 10 0 ADAEMP CC[C@@](C)([NH3+])COc1cc[nH+]cc1C 70880580 571736544 /nfs/dbraw/zinc/73/65/44/571736544.db2.gz MWQHKAFIVCHLBH-LLVKDONJSA-N 2 1 194.278 1.896 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@H]1CCCC[N@@H+](C)C1 214264616 571737946 /nfs/dbraw/zinc/73/79/46/571737946.db2.gz FCVZFJCHJBZEGC-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]1CCCC[N@@H+](C)C1 214264120 571738019 /nfs/dbraw/zinc/73/80/19/571738019.db2.gz HAKOXDKAQAFZPA-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@@H]1CCCC[N@@H+](C)C1 214264443 571738161 /nfs/dbraw/zinc/73/81/61/571738161.db2.gz FCVZFJCHJBZEGC-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@H]1CCCC[N@@H+](C)C1 214264555 571738263 /nfs/dbraw/zinc/73/82/63/571738263.db2.gz FCVZFJCHJBZEGC-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@@H]1CCCC[N@@H+](C)C1 214263952 571738312 /nfs/dbraw/zinc/73/83/12/571738312.db2.gz HAKOXDKAQAFZPA-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@@H]1CCCC[N@@H+](C)C1 214264500 571738410 /nfs/dbraw/zinc/73/84/10/571738410.db2.gz FCVZFJCHJBZEGC-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C1C[NH2+]C[C@H]([NH+]2CC3CC(C3)C2)C1 214251049 571738492 /nfs/dbraw/zinc/73/84/92/571738492.db2.gz ZPVSLVOBYBCWFB-VQXHTEKXSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH+]2CC3CC(C3)C2)C1 214250994 571738562 /nfs/dbraw/zinc/73/85/62/571738562.db2.gz ZPVSLVOBYBCWFB-ILDUYXDCSA-N 2 1 180.295 1.080 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]1CCCC[N@@H+](C)C1 214264064 571738712 /nfs/dbraw/zinc/73/87/12/571738712.db2.gz HAKOXDKAQAFZPA-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C1CCC1)[C@@H]1C[C@H]1C 712301019 571738901 /nfs/dbraw/zinc/73/89/01/571738901.db2.gz RSTAOKYWZIPUPS-YUSALJHKSA-N 2 1 196.338 1.892 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C1CCC1)[C@H]1C[C@@H]1C 712301054 571739455 /nfs/dbraw/zinc/73/94/55/571739455.db2.gz RSTAOKYWZIPUPS-ZMLRMANQSA-N 2 1 196.338 1.892 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[C@@H]1CCCC[N@@H+](C)C1 214264196 571739489 /nfs/dbraw/zinc/73/94/89/571739489.db2.gz CBEQGAANJFUSSX-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@H](C[NH3+])[C@H]1CCCC[N@@H+](C)C1 214264363 571739604 /nfs/dbraw/zinc/73/96/04/571739604.db2.gz CBEQGAANJFUSSX-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[C@H]1CCCC[N@@H+](C)C1 214264306 571739667 /nfs/dbraw/zinc/73/96/67/571739667.db2.gz CBEQGAANJFUSSX-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP C1C[NH2+][C@H](C[NH+]2CC3CC(C3)C2)C1 214250843 571739881 /nfs/dbraw/zinc/73/98/81/571739881.db2.gz GQDPZKDLVVHTHH-ILDUYXDCSA-N 2 1 180.295 1.080 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]1CCCC[N@@H+](C)C1 214264012 571739908 /nfs/dbraw/zinc/73/99/08/571739908.db2.gz HAKOXDKAQAFZPA-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP C1C[NH2+][C@@H](C[NH+]2CC3CC(C3)C2)C1 214250787 571739912 /nfs/dbraw/zinc/73/99/12/571739912.db2.gz GQDPZKDLVVHTHH-VQXHTEKXSA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)[C@H](C[NH3+])[C@@H]1CCCC[N@@H+](C)C1 214264250 571739947 /nfs/dbraw/zinc/73/99/47/571739947.db2.gz CBEQGAANJFUSSX-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[C@H](C)C[NH3+])C1 250069004 571739949 /nfs/dbraw/zinc/73/99/49/571739949.db2.gz YQMDVKZZRPTNAW-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[N@H+]1CCCC[C@@H]1C[C@H](C)[NH3+] 250067864 571740014 /nfs/dbraw/zinc/74/00/14/571740014.db2.gz YNOPRAFFMPRCLT-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[C@H](C)C[NH3+])C1 250069008 571740066 /nfs/dbraw/zinc/74/00/66/571740066.db2.gz YQMDVKZZRPTNAW-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@](C[NH3+])([NH2+]C1CCC1)C1CC1 712319123 571743923 /nfs/dbraw/zinc/74/39/23/571743923.db2.gz QCLRVNUVDXIAFI-LBPRGKRZSA-N 2 1 196.338 1.892 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C1CCC1)[C@H]1C[C@H]1C 712300982 571740468 /nfs/dbraw/zinc/74/04/68/571740468.db2.gz RSTAOKYWZIPUPS-ADEWGFFLSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@H]1CCCC[N@H+]1C 214266148 571741025 /nfs/dbraw/zinc/74/10/25/571741025.db2.gz IBOFBHZCSPQJLF-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C1CCC1)[C@@H]1C[C@@H]1C 712300985 571740657 /nfs/dbraw/zinc/74/06/57/571740657.db2.gz RSTAOKYWZIPUPS-MVWJERBFSA-N 2 1 196.338 1.892 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@@H]1CCC[N@@H+](C)CC1 214266714 571740683 /nfs/dbraw/zinc/74/06/83/571740683.db2.gz NOZGLHVQZSUQJR-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]1CCC[N@@H+](C)CC1 214266829 571740992 /nfs/dbraw/zinc/74/09/92/571740992.db2.gz NOZGLHVQZSUQJR-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@@H]1CCCC[N@H+]1C 214266040 571741425 /nfs/dbraw/zinc/74/14/25/571741425.db2.gz IBOFBHZCSPQJLF-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@H]1CCC[N@@H+](C)C1 214267855 571741158 /nfs/dbraw/zinc/74/11/58/571741158.db2.gz JAMZYIXOUGIVGZ-RYUDHWBXSA-N 2 1 198.354 1.820 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@H]1CCC[N@@H+](C)CC1 214266627 571741169 /nfs/dbraw/zinc/74/11/69/571741169.db2.gz NLRRNQKGVVEUGN-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[C@H]1CCC[N@@H+](C)CC1 214266326 571741186 /nfs/dbraw/zinc/74/11/86/571741186.db2.gz NNMYNBYORKCDBZ-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@H](C(C)C)[C@@H]1CCC[N@@H+](C)CC1 214266526 571741251 /nfs/dbraw/zinc/74/12/51/571741251.db2.gz NLRRNQKGVVEUGN-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@H]1CCC[N@@H+](C)C1 214267796 571741296 /nfs/dbraw/zinc/74/12/96/571741296.db2.gz JAMZYIXOUGIVGZ-NWDGAFQWSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]1CCC[N@@H+](C)CC1 214266772 571741302 /nfs/dbraw/zinc/74/13/02/571741302.db2.gz NOZGLHVQZSUQJR-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](CC1CC1)C1CC1 70736624 571745032 /nfs/dbraw/zinc/74/50/32/571745032.db2.gz HHRQEDNFIBAQMF-JTQLQIEISA-N 2 1 195.310 1.575 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@H+]1CCC[C@@H]1C 393419408 571745033 /nfs/dbraw/zinc/74/50/33/571745033.db2.gz UUILQTDTSDGWHK-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@H]1CCC[N@@H+](C)CC1 214266575 571741580 /nfs/dbraw/zinc/74/15/80/571741580.db2.gz NLRRNQKGVVEUGN-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+](C)CCC(F)(F)F 70911886 571741684 /nfs/dbraw/zinc/74/16/84/571741684.db2.gz ZVOFQPGHPYUANB-ZETCQYMHSA-N 2 1 198.232 1.465 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)CCC(F)(F)F 70911886 571741685 /nfs/dbraw/zinc/74/16/85/571741685.db2.gz ZVOFQPGHPYUANB-ZETCQYMHSA-N 2 1 198.232 1.465 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@H+]1CC[C@@H](C)C1 393414407 571741816 /nfs/dbraw/zinc/74/18/16/571741816.db2.gz RUVRAUNWFHRSFH-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+][C@@H](C(C)C)[C@@H]1CCC[N@@H+](C)CC1 214266469 571741941 /nfs/dbraw/zinc/74/19/41/571741941.db2.gz NLRRNQKGVVEUGN-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](CC1CC1)C1CC1 70736624 571745030 /nfs/dbraw/zinc/74/50/30/571745030.db2.gz HHRQEDNFIBAQMF-JTQLQIEISA-N 2 1 195.310 1.575 10 0 ADAEMP CC(C)[C@H](C[NH3+])[C@@H]1CCC[N@@H+](C)CC1 214266276 571742291 /nfs/dbraw/zinc/74/22/91/571742291.db2.gz NNMYNBYORKCDBZ-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)CCC(F)(F)F 70911986 571742389 /nfs/dbraw/zinc/74/23/89/571742389.db2.gz ZWGQEBNEQOUYFC-ZETCQYMHSA-N 2 1 198.232 1.608 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@H]1CCCC[N@H+]1C 214266091 571742431 /nfs/dbraw/zinc/74/24/31/571742431.db2.gz IBOFBHZCSPQJLF-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+](C)CCC(F)(F)F 70911986 571742386 /nfs/dbraw/zinc/74/23/86/571742386.db2.gz ZWGQEBNEQOUYFC-ZETCQYMHSA-N 2 1 198.232 1.608 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]1CCC[N@@H+](C)CC1 214266885 571742482 /nfs/dbraw/zinc/74/24/82/571742482.db2.gz NOZGLHVQZSUQJR-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)[C@H](C[NH3+])[C@H]1CCC[N@@H+](C)CC1 214266385 571742485 /nfs/dbraw/zinc/74/24/85/571742485.db2.gz NNMYNBYORKCDBZ-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@H+]1CC[C@H](C)C1 393414406 571742503 /nfs/dbraw/zinc/74/25/03/571742503.db2.gz RUVRAUNWFHRSFH-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@@](C[NH3+])([NH2+]C1CCC1)C1CC1 712319100 571742513 /nfs/dbraw/zinc/74/25/13/571742513.db2.gz QCLRVNUVDXIAFI-GFCCVEGCSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@@H]1CCC[N@@H+](C)C1 214267671 571742558 /nfs/dbraw/zinc/74/25/58/571742558.db2.gz JAMZYIXOUGIVGZ-VXGBXAGGSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+](C)CCC(F)(F)F 70911988 571742577 /nfs/dbraw/zinc/74/25/77/571742577.db2.gz ZWGQEBNEQOUYFC-SSDOTTSWSA-N 2 1 198.232 1.608 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)CCC(F)(F)F 70911988 571742578 /nfs/dbraw/zinc/74/25/78/571742578.db2.gz ZWGQEBNEQOUYFC-SSDOTTSWSA-N 2 1 198.232 1.608 10 0 ADAEMP CCc1c[nH+]cn1CC1([NH3+])CCC1 234139774 571742610 /nfs/dbraw/zinc/74/26/10/571742610.db2.gz LWBNANVDYDRJCL-UHFFFAOYSA-N 2 1 179.267 1.327 10 0 ADAEMP CC[N@@H+](CC[C@H](C)CC[NH3+])C1CC1 393416748 571742751 /nfs/dbraw/zinc/74/27/51/571742751.db2.gz TUDVBIFWTVJUQI-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[C@@H]1CCCC[N@H+]1C 214265986 571742897 /nfs/dbraw/zinc/74/28/97/571742897.db2.gz IBOFBHZCSPQJLF-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+](C)CCC(F)(F)F 70911891 571742914 /nfs/dbraw/zinc/74/29/14/571742914.db2.gz ZVOFQPGHPYUANB-SSDOTTSWSA-N 2 1 198.232 1.465 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)CCC(F)(F)F 70911891 571742915 /nfs/dbraw/zinc/74/29/15/571742915.db2.gz ZVOFQPGHPYUANB-SSDOTTSWSA-N 2 1 198.232 1.465 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](CC1CC1)C1CC1 70736620 571744999 /nfs/dbraw/zinc/74/49/99/571744999.db2.gz GRRSLZCABHIARG-QMMMGPOBSA-N 2 1 195.310 1.575 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)[C@@H]1CCC[N@@H+](C)C1 214267736 571743060 /nfs/dbraw/zinc/74/30/60/571743060.db2.gz JAMZYIXOUGIVGZ-NEPJUHHUSA-N 2 1 198.354 1.820 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CCC1)[C@H]1CC12CC2 712315048 571743097 /nfs/dbraw/zinc/74/30/97/571743097.db2.gz ACPXBOIFVIVXBJ-NXEZZACHSA-N 2 1 180.295 1.256 10 0 ADAEMP C[C@H]([NH2+]C1CC1)[C@H]1CCC[N@@H+](C)C1 37208372 571743324 /nfs/dbraw/zinc/74/33/24/571743324.db2.gz VFFNMYXYVIFQCF-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@]1(C[NH3+])[NH2+]C1CCC1 712333633 571743362 /nfs/dbraw/zinc/74/33/62/571743362.db2.gz IRKBGRKIAPUXGG-YWVKMMECSA-N 2 1 182.311 1.502 10 0 ADAEMP C[C@H]([NH2+]C1CC1)[C@@H]1CCC[N@@H+](C)C1 37208370 571743363 /nfs/dbraw/zinc/74/33/63/571743363.db2.gz VFFNMYXYVIFQCF-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)CC[NH3+])C1CC1 393416743 571743406 /nfs/dbraw/zinc/74/34/06/571743406.db2.gz TUDVBIFWTVJUQI-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CC[N@H+](CC[C@H](C)CC[NH3+])C1 393414404 571743798 /nfs/dbraw/zinc/74/37/98/571743798.db2.gz RUVRAUNWFHRSFH-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CCC1)[C@@H]1CC12CC2 712315051 571743828 /nfs/dbraw/zinc/74/38/28/571743828.db2.gz ACPXBOIFVIVXBJ-VHSXEESVSA-N 2 1 180.295 1.256 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CCC1)[C@H]1CC12CC2 712315052 571743898 /nfs/dbraw/zinc/74/38/98/571743898.db2.gz ACPXBOIFVIVXBJ-ZJUUUORDSA-N 2 1 180.295 1.256 10 0 ADAEMP C[C@@H](C[N@@H+](CC1CC1)C1CC1)C(N)=[NH2+] 70736613 571743988 /nfs/dbraw/zinc/74/39/88/571743988.db2.gz WSLKBBADRTWYTP-QMMMGPOBSA-N 2 1 195.310 1.433 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CCC1)[C@@H]1CC12CC2 712315049 571744000 /nfs/dbraw/zinc/74/40/00/571744000.db2.gz ACPXBOIFVIVXBJ-UWVGGRQHSA-N 2 1 180.295 1.256 10 0 ADAEMP C[C@@H]1CC[C@@H]([C@H](C[NH3+])[NH2+]C2CCC2)O1 712356734 571744818 /nfs/dbraw/zinc/74/48/18/571744818.db2.gz WEJOYKLTPZQEJF-MIMYLULJSA-N 2 1 198.310 1.023 10 0 ADAEMP C[C@@H]1CC[C@H]([C@@H](C[NH3+])[NH2+]C2CCC2)O1 712356728 571745505 /nfs/dbraw/zinc/74/55/05/571745505.db2.gz WEJOYKLTPZQEJF-FBIMIBRVSA-N 2 1 198.310 1.023 10 0 ADAEMP C[C@H](C[N@@H+](CC1CC1)C1CC1)C(N)=[NH2+] 70736614 571745594 /nfs/dbraw/zinc/74/55/94/571745594.db2.gz WSLKBBADRTWYTP-MRVPVSSYSA-N 2 1 195.310 1.433 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCC2(CC2)C1 400004642 571746075 /nfs/dbraw/zinc/74/60/75/571746075.db2.gz QGKAXGDYPJWHIC-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CCC2(CC2)C1 400004642 571746081 /nfs/dbraw/zinc/74/60/81/571746081.db2.gz QGKAXGDYPJWHIC-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H](CC(N)=[NH2+])[N@@H+](CC1CC1)C1CC1 70736623 571746268 /nfs/dbraw/zinc/74/62/68/571746268.db2.gz GRRSLZCABHIARG-MRVPVSSYSA-N 2 1 195.310 1.575 10 0 ADAEMP C[C@@H]1CC[C@@H]([C@@H](C[NH3+])[NH2+]C2CCC2)O1 712356732 571746394 /nfs/dbraw/zinc/74/63/94/571746394.db2.gz WEJOYKLTPZQEJF-IEBDPFPHSA-N 2 1 198.310 1.023 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+](CC1CC1)C1CC1 70736864 571746457 /nfs/dbraw/zinc/74/64/57/571746457.db2.gz WTRKYCRGIZWWFS-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](CC1CC1)C1CC1 70736626 571746610 /nfs/dbraw/zinc/74/66/10/571746610.db2.gz HHRQEDNFIBAQMF-SNVBAGLBSA-N 2 1 195.310 1.575 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](CC1CC1)C1CC1 70736626 571746614 /nfs/dbraw/zinc/74/66/14/571746614.db2.gz HHRQEDNFIBAQMF-SNVBAGLBSA-N 2 1 195.310 1.575 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@H+]1CCC[C@H]1C 393419406 571747266 /nfs/dbraw/zinc/74/72/66/571747266.db2.gz UUILQTDTSDGWHK-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CCC1(C[NH3+])CC1)C1CCC1 214316271 571747352 /nfs/dbraw/zinc/74/73/52/571747352.db2.gz IVHHWXGQUIIVKA-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CCC[N@@H+]1CC[C@H](C)CC[NH3+] 393419407 571747428 /nfs/dbraw/zinc/74/74/28/571747428.db2.gz UUILQTDTSDGWHK-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H](C2CCC2)C1 214315742 571748053 /nfs/dbraw/zinc/74/80/53/571748053.db2.gz HGELBIWZJDZEOC-QWRGUYRKSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@@H+]1CC[C@@H](C2CC2)[C@H](C[NH3+])CC1 214314948 571748461 /nfs/dbraw/zinc/74/84/61/571748461.db2.gz WZSMZZLSCUDCIE-QWRGUYRKSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@@H+]1CC[C@@H](C2CCC2)[C@H]([NH3+])CC1 214315352 571748900 /nfs/dbraw/zinc/74/89/00/571748900.db2.gz JNLVEXQDHPXBHS-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CC1)C1CCCC1 214316355 571749338 /nfs/dbraw/zinc/74/93/38/571749338.db2.gz KNWDMMRCRAWWLR-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H](C2CCC2)C1 214315687 571749404 /nfs/dbraw/zinc/74/94/04/571749404.db2.gz HGELBIWZJDZEOC-MNOVXSKESA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](C2CCC2)CC1 214315290 571749423 /nfs/dbraw/zinc/74/94/23/571749423.db2.gz JNLVEXQDHPXBHS-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H](C2CC2)CC1 214314893 571749627 /nfs/dbraw/zinc/74/96/27/571749627.db2.gz WZSMZZLSCUDCIE-MNOVXSKESA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](C(C)(C)C)CC1 214391341 571750451 /nfs/dbraw/zinc/75/04/51/571750451.db2.gz PWNCHDANUKPFLI-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C)CC[C@@H]1C[NH3+] 214391193 571750495 /nfs/dbraw/zinc/75/04/95/571750495.db2.gz AAOGOFKXALFPPA-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[C@H]1C[N@@H+](C)CC[C@@H]1C[NH3+] 214391624 571750533 /nfs/dbraw/zinc/75/05/33/571750533.db2.gz AYYPLYIMRGDFRB-MNOVXSKESA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)C[C@@H]1C[N@@H+](C)CC[C@@H]1C[NH3+] 214391568 571751009 /nfs/dbraw/zinc/75/10/09/571751009.db2.gz AYYPLYIMRGDFRB-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](C(C)(C)C)CC1 214391282 571750747 /nfs/dbraw/zinc/75/07/47/571750747.db2.gz PWNCHDANUKPFLI-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCC2(CC2)C1 400004654 571751106 /nfs/dbraw/zinc/75/11/06/571751106.db2.gz QGKAXGDYPJWHIC-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCC2(CC2)C1 400004654 571751108 /nfs/dbraw/zinc/75/11/08/571751108.db2.gz QGKAXGDYPJWHIC-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCC2(CC2)C1 400004651 571751169 /nfs/dbraw/zinc/75/11/69/571751169.db2.gz QGKAXGDYPJWHIC-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+]1CCC2(CC2)C1 400004651 571751171 /nfs/dbraw/zinc/75/11/71/571751171.db2.gz QGKAXGDYPJWHIC-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C)CC[C@@H]1C[NH3+] 214391134 571751510 /nfs/dbraw/zinc/75/15/10/571751510.db2.gz AAOGOFKXALFPPA-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@@H+](CCC1(C[NH3+])CC1)C(C)(C)C 214391705 571751626 /nfs/dbraw/zinc/75/16/26/571751626.db2.gz WRHVPIIRRIUJDP-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@@H](C)CC[NH3+] 393424262 571751736 /nfs/dbraw/zinc/75/17/36/571751736.db2.gz XFIDEJDYYVHUDU-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[N@H+](C)CC1CC1 235302381 571751785 /nfs/dbraw/zinc/75/17/85/571751785.db2.gz KOUNLILTMXVRRZ-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[N@@H+](C)CC1CC1 235302381 571751789 /nfs/dbraw/zinc/75/17/89/571751789.db2.gz KOUNLILTMXVRRZ-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[N@@H+](C)CCC1(C[NH3+])CC1 214391798 571752027 /nfs/dbraw/zinc/75/20/27/571752027.db2.gz PBBILESUVDWFTN-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCC2(CC2)C1 400004648 571752173 /nfs/dbraw/zinc/75/21/73/571752173.db2.gz QGKAXGDYPJWHIC-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CCC2(CC2)C1 400004648 571752176 /nfs/dbraw/zinc/75/21/76/571752176.db2.gz QGKAXGDYPJWHIC-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@H](C)CC[NH3+] 393424259 571752245 /nfs/dbraw/zinc/75/22/45/571752245.db2.gz XFIDEJDYYVHUDU-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C)CC[C@@H]1[NH3+] 214391492 571752384 /nfs/dbraw/zinc/75/23/84/571752384.db2.gz IESPJRXWHYPHMX-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+]1CCC2(CC2)C1 400004903 571754545 /nfs/dbraw/zinc/75/45/45/571754545.db2.gz QNTBYDDOPPGFSV-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)CC[C@@H]1C[NH3+] 214390473 571752616 /nfs/dbraw/zinc/75/26/16/571752616.db2.gz FXUWYAFQBKJXOG-MNOVXSKESA-N 2 1 184.327 1.559 10 0 ADAEMP C[C@]([NH3+])(c1ccccc1)[C@H]1CCC[NH2+]1 141335490 571752790 /nfs/dbraw/zinc/75/27/90/571752790.db2.gz FVOVWSFUIPRCMW-NEPJUHHUSA-N 2 1 190.290 1.613 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)CC[C@@H]1C[NH3+] 214390528 571752803 /nfs/dbraw/zinc/75/28/03/571752803.db2.gz FXUWYAFQBKJXOG-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+]1CCC2(CC2)C1 400004905 571755041 /nfs/dbraw/zinc/75/50/41/571755041.db2.gz QNTBYDDOPPGFSV-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1C[C@H]2CCCCC[C@@H]21 687895783 571754601 /nfs/dbraw/zinc/75/46/01/571754601.db2.gz SONTWKCFSROKEB-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CC[NH2+]CCCCc1ccccc1 38273417 571753588 /nfs/dbraw/zinc/75/35/88/571753588.db2.gz LVVNBQTZFGOSRA-UHFFFAOYSA-N 2 1 192.306 1.558 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCCCC[C@H]21 687895773 571754818 /nfs/dbraw/zinc/75/48/18/571754818.db2.gz SONTWKCFSROKEB-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CCCNC2)C1 37246798 571754853 /nfs/dbraw/zinc/75/48/53/571754853.db2.gz ZODYRVVYEKVGQV-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1C[C@H]2CCCCC[C@H]21 687895775 571754938 /nfs/dbraw/zinc/75/49/38/571754938.db2.gz SONTWKCFSROKEB-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccoc2)C1 70798737 571755034 /nfs/dbraw/zinc/75/50/34/571755034.db2.gz IDZLBVLQZUVGEY-SNVBAGLBSA-N 2 1 194.278 1.321 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccoc2)C1 70798737 571755036 /nfs/dbraw/zinc/75/50/36/571755036.db2.gz IDZLBVLQZUVGEY-SNVBAGLBSA-N 2 1 194.278 1.321 10 0 ADAEMP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCNC2)C1 37246803 571755774 /nfs/dbraw/zinc/75/57/74/571755774.db2.gz ZODYRVVYEKVGQV-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1C[C@@H]2CCCCC[C@@H]21 687895785 571756148 /nfs/dbraw/zinc/75/61/48/571756148.db2.gz SONTWKCFSROKEB-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccoc2)C1 70798734 571756268 /nfs/dbraw/zinc/75/62/68/571756268.db2.gz IDZLBVLQZUVGEY-JTQLQIEISA-N 2 1 194.278 1.321 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 70798734 571756271 /nfs/dbraw/zinc/75/62/71/571756271.db2.gz IDZLBVLQZUVGEY-JTQLQIEISA-N 2 1 194.278 1.321 10 0 ADAEMP CC1=C[C@@H](C)C[C@H](C[NH2+]CC[NH3+])C1 235701161 571757431 /nfs/dbraw/zinc/75/74/31/571757431.db2.gz RPWKHZYUXRZIGM-KOLCDFICSA-N 2 1 182.311 1.527 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@@H+](C)C1CCC1 393426895 571757483 /nfs/dbraw/zinc/75/74/83/571757483.db2.gz YRFKIDDMEQPOAF-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[N@H+]1CC[C@H](C2CC2)C1)C(N)=[NH2+] 400225608 571757822 /nfs/dbraw/zinc/75/78/22/571757822.db2.gz NBUROBDDKVPRCL-WPRPVWTQSA-N 2 1 195.310 1.290 10 0 ADAEMP C[C@@H](C[N@H+]1CC[C@@H](C2CC2)C1)C(N)=[NH2+] 400225607 571758005 /nfs/dbraw/zinc/75/80/05/571758005.db2.gz NBUROBDDKVPRCL-WCBMZHEXSA-N 2 1 195.310 1.290 10 0 ADAEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=[NH2+])C1CC1 70823982 571758566 /nfs/dbraw/zinc/75/85/66/571758566.db2.gz IRFKWEBDRJUNGA-VIFPVBQESA-N 2 1 195.310 1.257 10 0 ADAEMP CCC(=[NH2+])N(C)C[C@H]1CC[N@@H+](C)C1 70823967 571759278 /nfs/dbraw/zinc/75/92/78/571759278.db2.gz UPKHDYSZWUKGJL-VIFPVBQESA-N 2 1 183.299 1.257 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+](C)C1CCC1 393426898 571759389 /nfs/dbraw/zinc/75/93/89/571759389.db2.gz YRFKIDDMEQPOAF-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC(=[NH2+])N(C)C[C@@H]1CC[N@@H+](C)C1 70823964 571760664 /nfs/dbraw/zinc/76/06/64/571760664.db2.gz UPKHDYSZWUKGJL-SECBINFHSA-N 2 1 183.299 1.257 10 0 ADAEMP CCCC(=[NH2+])N(C)C[C@H]1CC[N@@H+](C)C1 70823973 571760974 /nfs/dbraw/zinc/76/09/74/571760974.db2.gz WZBUHHAVYWKMGW-JTQLQIEISA-N 2 1 197.326 1.647 10 0 ADAEMP CCCC(=[NH2+])N(C)C[C@@H]1CC[N@@H+](C)C1 70823970 571761162 /nfs/dbraw/zinc/76/11/62/571761162.db2.gz WZBUHHAVYWKMGW-SNVBAGLBSA-N 2 1 197.326 1.647 10 0 ADAEMP CC(C)C(=[NH2+])N(C)C[C@H]1CC[N@@H+](C)C1 70823979 571761212 /nfs/dbraw/zinc/76/12/12/571761212.db2.gz MVHCERGARHGEFB-JTQLQIEISA-N 2 1 197.326 1.503 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1 37255890 571761717 /nfs/dbraw/zinc/76/17/17/571761717.db2.gz RGKVTYGIBCYLOJ-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@@H+]1[C@@H](C)C(N)=[NH2+] 687799110 571761830 /nfs/dbraw/zinc/76/18/30/571761830.db2.gz NCRROICMYPGUEQ-YIZRAAEISA-N 2 1 183.299 1.574 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1[C@@H](C)C(N)=[NH2+] 687799110 571761836 /nfs/dbraw/zinc/76/18/36/571761836.db2.gz NCRROICMYPGUEQ-YIZRAAEISA-N 2 1 183.299 1.574 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CCC[C@H]1C[NH3+] 250489087 571762439 /nfs/dbraw/zinc/76/24/39/571762439.db2.gz GBNXSQWDGMZFSV-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCC[C@H]1C[NH3+] 250489086 571762758 /nfs/dbraw/zinc/76/27/58/571762758.db2.gz GBNXSQWDGMZFSV-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70832134 571763128 /nfs/dbraw/zinc/76/31/28/571763128.db2.gz RKHIHJJXTVFPDZ-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1 37255886 571763191 /nfs/dbraw/zinc/76/31/91/571763191.db2.gz RGKVTYGIBCYLOJ-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@@H+]1[C@H](C)C(N)=[NH2+] 687799109 571763519 /nfs/dbraw/zinc/76/35/19/571763519.db2.gz NCRROICMYPGUEQ-HRDYMLBCSA-N 2 1 183.299 1.574 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1[C@H](C)C(N)=[NH2+] 687799109 571763521 /nfs/dbraw/zinc/76/35/21/571763521.db2.gz NCRROICMYPGUEQ-HRDYMLBCSA-N 2 1 183.299 1.574 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[N@H+](C)CC1CC1 235317287 571763501 /nfs/dbraw/zinc/76/35/01/571763501.db2.gz KOUNLILTMXVRRZ-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[N@@H+](C)CC1CC1 235317287 571763504 /nfs/dbraw/zinc/76/35/04/571763504.db2.gz KOUNLILTMXVRRZ-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37264984 571763653 /nfs/dbraw/zinc/76/36/53/571763653.db2.gz WOUQKDZATYWTMJ-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 37264984 571763656 /nfs/dbraw/zinc/76/36/56/571763656.db2.gz WOUQKDZATYWTMJ-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP [NH3+]C[C@]1([NH2+]C2CC2)C[C@@H]2CCCC[C@@H]21 712450151 571763892 /nfs/dbraw/zinc/76/38/92/571763892.db2.gz FFSRSYTVHSLOOG-ZMLRMANQSA-N 2 1 194.322 1.646 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37264985 571763969 /nfs/dbraw/zinc/76/39/69/571763969.db2.gz WOUQKDZATYWTMJ-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 37264985 571763973 /nfs/dbraw/zinc/76/39/73/571763973.db2.gz WOUQKDZATYWTMJ-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CC[NH2+][C@@H](C)C1 234140137 571769044 /nfs/dbraw/zinc/76/90/44/571769044.db2.gz OGENUWIVDLNZJU-GXSJLCMTSA-N 2 1 193.294 1.759 10 0 ADAEMP CCC(=[NH2+])NCC[N@@H+](C)C1CCCC1 70946511 571769477 /nfs/dbraw/zinc/76/94/77/571769477.db2.gz YZCLVKGHLQGJPG-UHFFFAOYSA-N 2 1 197.326 1.838 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)C[C@H]2[NH2+][C@H]1CC[NH2+]C1 712470353 571769677 /nfs/dbraw/zinc/76/96/77/571769677.db2.gz AGJHTPZGLRRVQM-WRWGMCAJSA-N 2 1 194.322 1.517 10 0 ADAEMP CC(=[NH2+])NCC[N@H+](C)C1CCCC1 70946508 571769858 /nfs/dbraw/zinc/76/98/58/571769858.db2.gz JMAOIQLXWGEVLH-UHFFFAOYSA-N 2 1 183.299 1.448 10 0 ADAEMP CCCC[C@H](C)C[NH2+]CC[NH2+]C 301002816 571769918 /nfs/dbraw/zinc/76/99/18/571769918.db2.gz YHSNSOHPSKKRHZ-JTQLQIEISA-N 2 1 172.316 1.622 10 0 ADAEMP C[N@H+]1CCC[C@@H](CNc2[nH]cc[nH+]2)C1 234346514 571770118 /nfs/dbraw/zinc/77/01/18/571770118.db2.gz HMRMMLOHUIBDEL-VIFPVBQESA-N 2 1 194.282 1.163 10 0 ADAEMP CCCC[C@@H](C)C[NH2+]CC[NH2+]C 301002820 571770609 /nfs/dbraw/zinc/77/06/09/571770609.db2.gz YHSNSOHPSKKRHZ-SNVBAGLBSA-N 2 1 172.316 1.622 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CC[NH2+][C@H](C)C1 234140154 571770649 /nfs/dbraw/zinc/77/06/49/571770649.db2.gz OGENUWIVDLNZJU-MWLCHTKSSA-N 2 1 193.294 1.759 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCC2(CC2)C1 400006994 571770724 /nfs/dbraw/zinc/77/07/24/571770724.db2.gz SAHHYXLITAHGFR-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP C1CC[C@H]2[C@@H]([NH2+][C@H]3CC[NH2+]C3)C[C@H]2C1 712470351 571770897 /nfs/dbraw/zinc/77/08/97/571770897.db2.gz AGJHTPZGLRRVQM-KXNHARMFSA-N 2 1 194.322 1.517 10 0 ADAEMP CC1(C2([NH2+]CC3([NH3+])CC3)CC2)CC1 398270793 571771217 /nfs/dbraw/zinc/77/12/17/571771217.db2.gz UQALQPLPDGWAFY-UHFFFAOYSA-N 2 1 180.295 1.400 10 0 ADAEMP CCCC[C@@H](C)C[N@H+](C)CC[NH2+]C 301004448 571771250 /nfs/dbraw/zinc/77/12/50/571771250.db2.gz YNXLWUZHAHTDIJ-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCCC[C@@H](C)C[N@@H+](C)CC[NH2+]C 301004448 571771257 /nfs/dbraw/zinc/77/12/57/571771257.db2.gz YNXLWUZHAHTDIJ-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCC2(CC2)C1 400006995 571771580 /nfs/dbraw/zinc/77/15/80/571771580.db2.gz SAHHYXLITAHGFR-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@H+]1CCC2(CC2)C1 400006993 571771753 /nfs/dbraw/zinc/77/17/53/571771753.db2.gz SAHHYXLITAHGFR-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+](CCC[NH3+])C(C)(C)C 18682611 571772655 /nfs/dbraw/zinc/77/26/55/571772655.db2.gz VUFRPPSLMXCNSB-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[NH2+]CC2(C)CC2)C1 235327382 571772711 /nfs/dbraw/zinc/77/27/11/571772711.db2.gz JAJHOANUVYOVQT-MNOVXSKESA-N 2 1 196.338 1.764 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 142405333 571772752 /nfs/dbraw/zinc/77/27/52/571772752.db2.gz HPIGQUKGHUMRHI-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@H+]1CCC2(CC2)C1 400006992 571773011 /nfs/dbraw/zinc/77/30/11/571773011.db2.gz SAHHYXLITAHGFR-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[C@H](C)C[N@H+](C)CC[NH2+]C 301004450 571773925 /nfs/dbraw/zinc/77/39/25/571773925.db2.gz YNXLWUZHAHTDIJ-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CCCC[C@H](C)C[N@@H+](C)CC[NH2+]C 301004450 571773929 /nfs/dbraw/zinc/77/39/29/571773929.db2.gz YNXLWUZHAHTDIJ-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC1(C(C)C)CC1 234431353 571774459 /nfs/dbraw/zinc/77/44/59/571774459.db2.gz MHJJTLSZWMOCDA-JTQLQIEISA-N 2 1 184.327 1.620 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC(C)(C)C(C)C 234431227 571775124 /nfs/dbraw/zinc/77/51/24/571775124.db2.gz UVSJIJMFFGAVMS-JTQLQIEISA-N 2 1 186.343 1.866 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CC[C@@H](C)[NH3+] 37401882 571775507 /nfs/dbraw/zinc/77/55/07/571775507.db2.gz IHOHPSYZHSYYHW-MXWKQRLJSA-N 2 1 184.327 1.987 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC1(C2CC2)CC1 234431690 571775618 /nfs/dbraw/zinc/77/56/18/571775618.db2.gz WBZCQXNHHDORGE-VIFPVBQESA-N 2 1 182.311 1.374 10 0 ADAEMP Cc1c[nH]c(NC[C@H]2CC[N@H+](C)C2)[nH+]1 234352797 571775961 /nfs/dbraw/zinc/77/59/61/571775961.db2.gz NGNFYFLTTCHCAR-SECBINFHSA-N 2 1 194.282 1.082 10 0 ADAEMP C[N@@H+](CCC(N)=[NH2+])C1CCCC1 39046729 571776088 /nfs/dbraw/zinc/77/60/88/571776088.db2.gz DHRAHOZTWXHKKH-UHFFFAOYSA-N 2 1 169.272 1.187 10 0 ADAEMP C[NH+](C)CC1=CC(C)(C)[NH2+]C1(C)C 27100229 571776170 /nfs/dbraw/zinc/77/61/70/571776170.db2.gz TWTZUSSMFZTFMO-UHFFFAOYSA-N 2 1 182.311 1.635 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C[C@@H]1CC1(C)C 234432018 571776356 /nfs/dbraw/zinc/77/63/56/571776356.db2.gz UWAIGZNIHCWWGI-IUCAKERBSA-N 2 1 170.300 1.230 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C[C@H]1CC1(C)C 234432191 571776515 /nfs/dbraw/zinc/77/65/15/571776515.db2.gz UWAIGZNIHCWWGI-DTWKUNHWSA-N 2 1 170.300 1.230 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CC[NH2+][C@H](C)C1 234140303 571777785 /nfs/dbraw/zinc/77/77/85/571777785.db2.gz OGENUWIVDLNZJU-KOLCDFICSA-N 2 1 193.294 1.759 10 0 ADAEMP C[NH2+]CCC[NH2+]Cc1ccnc(C)c1 234354797 571777848 /nfs/dbraw/zinc/77/78/48/571777848.db2.gz VAUZSSMKHXTKIP-UHFFFAOYSA-N 2 1 193.294 1.089 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CC[C@@H](C2CC2)C1 400288141 571778082 /nfs/dbraw/zinc/77/80/82/571778082.db2.gz MDFOTUFEMQGDFN-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H](CNc2[nH]cc[nH+]2)C1 234350524 571779026 /nfs/dbraw/zinc/77/90/26/571779026.db2.gz HMRMMLOHUIBDEL-SECBINFHSA-N 2 1 194.282 1.163 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CC[NH2+][C@@H](C)C1 234140282 571780094 /nfs/dbraw/zinc/78/00/94/571780094.db2.gz OGENUWIVDLNZJU-ONGXEEELSA-N 2 1 193.294 1.759 10 0 ADAEMP CC[NH2+]CC(C)(C)[N@@H+]1CCC2(CC2)C1 400008569 571781101 /nfs/dbraw/zinc/78/11/01/571781101.db2.gz UGFAOEJGOXKEHM-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+]CC(C)(C)[N@H+]1CCC2(CC2)C1 400008569 571781106 /nfs/dbraw/zinc/78/11/06/571781106.db2.gz UGFAOEJGOXKEHM-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](CCC[NH+](C)C)C1CC1 687721934 571781587 /nfs/dbraw/zinc/78/15/87/571781587.db2.gz QJSORHIMAMYLQK-UHFFFAOYSA-N 2 1 170.300 1.422 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]C2CCCC2)C1 37484617 571781866 /nfs/dbraw/zinc/78/18/66/571781866.db2.gz JWBZALCXTRRMDR-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CCCC[C@@H]([NH3+])C[NH+](C)C 37480892 571783354 /nfs/dbraw/zinc/78/33/54/571783354.db2.gz RCKMCQKWWTZZKC-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP C[C@H]1C[C@@H](n2cc[nH+]c2N)CC[N@H+]1C 235709504 571782349 /nfs/dbraw/zinc/78/23/49/571782349.db2.gz VQPHODWFQRBJJK-IUCAKERBSA-N 2 1 194.282 1.121 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 37484618 571782480 /nfs/dbraw/zinc/78/24/80/571782480.db2.gz JWBZALCXTRRMDR-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]C2CCCCC2)C1 37484539 571782860 /nfs/dbraw/zinc/78/28/60/571782860.db2.gz JJRPTWCMNUFZEU-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[C@H]([NH3+])C[NH+](C)C 37480891 571783097 /nfs/dbraw/zinc/78/30/97/571783097.db2.gz RCKMCQKWWTZZKC-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CC(C)[N@@H+](C)CC1CCC([NH3+])CC1 37482394 571783262 /nfs/dbraw/zinc/78/32/62/571783262.db2.gz IDHYOXFMMKKXFY-UHFFFAOYSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C2CCCCC2)C1 37484540 571783280 /nfs/dbraw/zinc/78/32/80/571783280.db2.gz JJRPTWCMNUFZEU-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@]1(C[NH3+])CC[N@@H+](CCC2CC2)C1 235706852 571783862 /nfs/dbraw/zinc/78/38/62/571783862.db2.gz JBSQRUCFQJRGPD-LLVKDONJSA-N 2 1 182.311 1.457 10 0 ADAEMP NC[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CCCC[C@H]21 712542431 571784155 /nfs/dbraw/zinc/78/41/55/571784155.db2.gz AOLZYCIKFLUQON-WRWGMCAJSA-N 2 1 194.322 1.598 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCCC[C@H]21 712542431 571784160 /nfs/dbraw/zinc/78/41/60/571784160.db2.gz AOLZYCIKFLUQON-WRWGMCAJSA-N 2 1 194.322 1.598 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1C[C@H]2CCCC[C@H]21 712542431 571784162 /nfs/dbraw/zinc/78/41/62/571784162.db2.gz AOLZYCIKFLUQON-WRWGMCAJSA-N 2 1 194.322 1.598 10 0 ADAEMP CC[C@@H](C1CC1)[N@H+](C)[C@H]1CCCNC1 251403197 571785839 /nfs/dbraw/zinc/78/58/39/571785839.db2.gz ZLDYFKUKOBDYPW-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C1CC1)[N@@H+](C)[C@H]1CCCNC1 251403197 571785842 /nfs/dbraw/zinc/78/58/42/571785842.db2.gz ZLDYFKUKOBDYPW-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C1CC1)[N@H+](C)[C@H]1CCCNC1 251403195 571787243 /nfs/dbraw/zinc/78/72/43/571787243.db2.gz ZLDYFKUKOBDYPW-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C1CC1)[N@@H+](C)[C@H]1CCCNC1 251403195 571787245 /nfs/dbraw/zinc/78/72/45/571787245.db2.gz ZLDYFKUKOBDYPW-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1[nH]cc[nH+]1 235348833 571790390 /nfs/dbraw/zinc/79/03/90/571790390.db2.gz KBXOXXJGOPETFA-BDAKNGLRSA-N 2 1 194.282 1.162 10 0 ADAEMP C[C@H]1C[C@H](Nc2[nH]cc[nH+]2)CC[N@H+]1C 235716286 571790419 /nfs/dbraw/zinc/79/04/19/571790419.db2.gz YDVQGQQZIPLBKG-DTWKUNHWSA-N 2 1 194.282 1.304 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CC[C@@H](C2CC2)C1 400308671 571790949 /nfs/dbraw/zinc/79/09/49/571790949.db2.gz ZHCWBKFAMAZNDM-GXSJLCMTSA-N 2 1 182.311 1.313 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CCC[C@H]1C[NH3+] 249995375 571791330 /nfs/dbraw/zinc/79/13/30/571791330.db2.gz NUFFWTIKTRCKCF-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CCC[C@H]1C[NH3+] 249995371 571791471 /nfs/dbraw/zinc/79/14/71/571791471.db2.gz NUFFWTIKTRCKCF-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C[C@H]1C 250658560 571792434 /nfs/dbraw/zinc/79/24/34/571792434.db2.gz QEIWEEWYJFUZHL-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+]1CCC2(CC2)C1 400012314 571791762 /nfs/dbraw/zinc/79/17/62/571791762.db2.gz WVEQAKCTWZYKHO-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+]1CCC2(CC2)C1 400012314 571791766 /nfs/dbraw/zinc/79/17/66/571791766.db2.gz WVEQAKCTWZYKHO-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)C1CC(C)C1 234365265 571791782 /nfs/dbraw/zinc/79/17/82/571791782.db2.gz HQWVMRAEXGKFMM-UHFFFAOYSA-N 2 1 170.300 1.326 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 249881414 571795343 /nfs/dbraw/zinc/79/53/43/571795343.db2.gz NTDRMBKTRZBEPI-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)C1CC(C(C)C)C1 234365251 571792626 /nfs/dbraw/zinc/79/26/26/571792626.db2.gz MPGRKKSZGXEXJI-UHFFFAOYSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC)C[C@H]1C 242728128 571793022 /nfs/dbraw/zinc/79/30/22/571793022.db2.gz YUOAGHMPGPSCHW-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+]1CCC2(CC2)C1 400012311 571793078 /nfs/dbraw/zinc/79/30/78/571793078.db2.gz WVEQAKCTWZYKHO-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+]1CCC2(CC2)C1 400012311 571793083 /nfs/dbraw/zinc/79/30/83/571793083.db2.gz WVEQAKCTWZYKHO-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1CCC[C@H]1[NH3+] 249816489 571793162 /nfs/dbraw/zinc/79/31/62/571793162.db2.gz RYLYIYLBYUUEOK-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C[C@H]1CCCC[C@H]1[NH3+])C1CC1 249798399 571793220 /nfs/dbraw/zinc/79/32/20/571793220.db2.gz BKNONKGSFDNOBF-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 249881417 571793383 /nfs/dbraw/zinc/79/33/83/571793383.db2.gz NTDRMBKTRZBEPI-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@H]2C)C1 249673971 571793510 /nfs/dbraw/zinc/79/35/10/571793510.db2.gz COAWSOAXQQXVOX-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1C[C@@H]1C[NH2+]C1CC1 385262428 571793544 /nfs/dbraw/zinc/79/35/44/571793544.db2.gz VMMDNULXBZZVQF-SCZZXKLOSA-N 2 1 191.278 1.276 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCCC[C@H]1[NH3+])C1CC1 249798396 571793621 /nfs/dbraw/zinc/79/36/21/571793621.db2.gz BKNONKGSFDNOBF-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC[C@H]1[NH2+]C 249905036 571793694 /nfs/dbraw/zinc/79/36/94/571793694.db2.gz HDMGJJCUNIITFP-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2C)C1 249673969 571793772 /nfs/dbraw/zinc/79/37/72/571793772.db2.gz COAWSOAXQQXVOX-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC(C)(C)[N@H+]1CCC[NH+](C)C 687801314 571793977 /nfs/dbraw/zinc/79/39/77/571793977.db2.gz GJYKEFXAAFJKNW-JTQLQIEISA-N 2 1 184.327 1.811 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](CC2(C3CC3)CC2)C1 234453450 571794166 /nfs/dbraw/zinc/79/41/66/571794166.db2.gz RLYYIVBIZAHKIK-LLVKDONJSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 234453450 571794170 /nfs/dbraw/zinc/79/41/70/571794170.db2.gz RLYYIVBIZAHKIK-LLVKDONJSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)C1 249673967 571794288 /nfs/dbraw/zinc/79/42/88/571794288.db2.gz COAWSOAXQQXVOX-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C[C@H]1C 250658563 571794298 /nfs/dbraw/zinc/79/42/98/571794298.db2.gz QEIWEEWYJFUZHL-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+][C@@]1(C[NH3+])CC[C@H]1C 687801657 571798690 /nfs/dbraw/zinc/79/86/90/571798690.db2.gz HZAOYUOQFYPSSX-GWOFURMSSA-N 2 1 182.311 1.359 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C 250675567 571795463 /nfs/dbraw/zinc/79/54/63/571795463.db2.gz UFQAPGZXESRNND-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]CC)C[C@H]1C 242728129 571794843 /nfs/dbraw/zinc/79/48/43/571794843.db2.gz YUOAGHMPGPSCHW-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+]([C@H](C)COC)[C@H](C)[C@H](C)[NH3+] 249906908 571794909 /nfs/dbraw/zinc/79/49/09/571794909.db2.gz HQCGVFGMYXSWCE-KXUCPTDWSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C 250675567 571795467 /nfs/dbraw/zinc/79/54/67/571795467.db2.gz UFQAPGZXESRNND-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 249816492 571795121 /nfs/dbraw/zinc/79/51/21/571795121.db2.gz RYLYIYLBYUUEOK-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)C[C@H]1C 242750335 571795166 /nfs/dbraw/zinc/79/51/66/571795166.db2.gz ZMBUMMBAJXXVJW-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)C[C@H]1C 242648375 571795354 /nfs/dbraw/zinc/79/53/54/571795354.db2.gz QUWHIUQMALKIPS-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+]([C@H](C)CC[NH3+])[C@H](C)COC 249884519 571795509 /nfs/dbraw/zinc/79/55/09/571795509.db2.gz BRJMZWZBXHBRST-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@H]1[NH2+]C)C1CC1 249848075 571795751 /nfs/dbraw/zinc/79/57/51/571795751.db2.gz WOJFBNKXUGAUBP-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]([C@H](C)[NH2+]C)C1 249972258 571795833 /nfs/dbraw/zinc/79/58/33/571795833.db2.gz KYPDQSVDGQXBFV-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCCC[C@H]1[NH2+]C 249912089 571795850 /nfs/dbraw/zinc/79/58/50/571795850.db2.gz IXZZECDATZMYLM-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1CC(C)(C)[N@H+]1CCC[NH+](C)C 687801315 571795878 /nfs/dbraw/zinc/79/58/78/571795878.db2.gz GJYKEFXAAFJKNW-SNVBAGLBSA-N 2 1 184.327 1.811 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCC[C@H]1[NH2+]C 249912094 571795936 /nfs/dbraw/zinc/79/59/36/571795936.db2.gz IXZZECDATZMYLM-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]([C@@H](C)[C@H](C)[NH3+])[C@H](C)COC 249906912 571796004 /nfs/dbraw/zinc/79/60/04/571796004.db2.gz HQCGVFGMYXSWCE-UTLUCORTSA-N 2 1 188.315 1.079 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CCC[C@H]1[NH2+]C 249737990 571796169 /nfs/dbraw/zinc/79/61/69/571796169.db2.gz CROOTCNALFYSCD-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@H]1[NH3+])C(C)C 249821373 571796240 /nfs/dbraw/zinc/79/62/40/571796240.db2.gz LOCPXPRZKVNLLK-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@H]1[NH3+])C1CC1 249852356 571796341 /nfs/dbraw/zinc/79/63/41/571796341.db2.gz YOSDIGLNOZMPJD-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@@H+](C[C@H]1CCC[C@H]1[NH2+]C)C1CC1 249848082 571796424 /nfs/dbraw/zinc/79/64/24/571796424.db2.gz WOJFBNKXUGAUBP-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1CCC2(CC2)C1 400012391 571796497 /nfs/dbraw/zinc/79/64/97/571796497.db2.gz WYDQVWOWLMWUAI-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CCC[C@H]1[NH2+]C 249737988 571796498 /nfs/dbraw/zinc/79/64/98/571796498.db2.gz CROOTCNALFYSCD-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCC2(CC2)C1 400012391 571796502 /nfs/dbraw/zinc/79/65/02/571796502.db2.gz 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1.081 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 250609972 571797773 /nfs/dbraw/zinc/79/77/73/571797773.db2.gz YYYOEOOADGFIAK-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)[C@H](C)C1CC1 251105372 571797755 /nfs/dbraw/zinc/79/77/55/571797755.db2.gz NZHBZQYRXNTFQG-NXEZZACHSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CCC2(CC2)C1 400012388 571797930 /nfs/dbraw/zinc/79/79/30/571797930.db2.gz WYDQVWOWLMWUAI-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CCC2(CC2)C1 400012388 571797934 /nfs/dbraw/zinc/79/79/34/571797934.db2.gz WYDQVWOWLMWUAI-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+](C)[C@H]1CCSC1 251099443 571798125 /nfs/dbraw/zinc/79/81/25/571798125.db2.gz QYNVNGWIHVSUSF-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)[C@H]1CCSC1 251099443 571798127 /nfs/dbraw/zinc/79/81/27/571798127.db2.gz QYNVNGWIHVSUSF-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP 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CC[NH2+][C@H]1CC[N@@H+]([C@H](C)C(C)C)C1 250600257 571798887 /nfs/dbraw/zinc/79/88/87/571798887.db2.gz DWGQYLNDUMGVBU-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@H](C)C(C)C)C1 250600257 571798890 /nfs/dbraw/zinc/79/88/90/571798890.db2.gz DWGQYLNDUMGVBU-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCSC1 251100009 571798952 /nfs/dbraw/zinc/79/89/52/571798952.db2.gz MQULXIRVRUZTMB-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)[C@H](C)C1CC1 251105380 571799031 /nfs/dbraw/zinc/79/90/31/571799031.db2.gz NZHBZQYRXNTFQG-VHSXEESVSA-N 2 1 184.327 1.572 10 0 ADAEMP C[N@@H+](C[C@H]1C=C[C@H]([NH3+])C1)CC(C)(C)C 227272330 571799115 /nfs/dbraw/zinc/79/91/15/571799115.db2.gz RJFWAJNWRFFSJU-QWRGUYRKSA-N 2 1 196.338 1.868 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C[C@H]1CC1(C)C 234438169 571799573 /nfs/dbraw/zinc/79/95/73/571799573.db2.gz UWAIGZNIHCWWGI-RKDXNWHRSA-N 2 1 170.300 1.230 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCC[C@H]1C 251082328 571799682 /nfs/dbraw/zinc/79/96/82/571799682.db2.gz MFKVUFMXDKMKBJ-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)[C@H](C)C1CC1 250596735 571799700 /nfs/dbraw/zinc/79/97/00/571799700.db2.gz DDJNNXHHTSALHK-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1[nH]cc[nH+]1 235719906 571799752 /nfs/dbraw/zinc/79/97/52/571799752.db2.gz KBXOXXJGOPETFA-IUCAKERBSA-N 2 1 194.282 1.162 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H]1C 250587892 571799911 /nfs/dbraw/zinc/79/99/11/571799911.db2.gz BJPSXDNMNIVIHP-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H]1C 250587892 571799915 /nfs/dbraw/zinc/79/99/15/571799915.db2.gz BJPSXDNMNIVIHP-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 250601354 571799970 /nfs/dbraw/zinc/79/99/70/571799970.db2.gz FFCPDRZOKPAFSP-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 250601354 571799974 /nfs/dbraw/zinc/79/99/74/571799974.db2.gz FFCPDRZOKPAFSP-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 687801658 571799985 /nfs/dbraw/zinc/79/99/85/571799985.db2.gz HZAOYUOQFYPSSX-LMLFDSFASA-N 2 1 182.311 1.359 10 0 ADAEMP C[NH2+][C@H](C[N@@H+]1CCC2(CC2)C1)C(C)C 400015363 571800132 /nfs/dbraw/zinc/80/01/32/571800132.db2.gz YWYSLKLQIVZZGG-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H](C[N@H+]1CCC2(CC2)C1)C(C)C 400015363 571800136 /nfs/dbraw/zinc/80/01/36/571800136.db2.gz YWYSLKLQIVZZGG-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)[C@H](C)COC 251084587 571800150 /nfs/dbraw/zinc/80/01/50/571800150.db2.gz MVPDFJDVZNGXDG-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C[C@@H]1CC1(C)C 234438016 571800164 /nfs/dbraw/zinc/80/01/64/571800164.db2.gz UWAIGZNIHCWWGI-BDAKNGLRSA-N 2 1 170.300 1.230 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 250601350 571800387 /nfs/dbraw/zinc/80/03/87/571800387.db2.gz FFCPDRZOKPAFSP-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@H](C)C2CC2)C1 250601350 571800391 /nfs/dbraw/zinc/80/03/91/571800391.db2.gz FFCPDRZOKPAFSP-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@H+]1CCC[C@H]1C 250758673 571800425 /nfs/dbraw/zinc/80/04/25/571800425.db2.gz XPZJNZKLSJHHGM-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)[C@H](C)COC 251084590 571800636 /nfs/dbraw/zinc/80/06/36/571800636.db2.gz MVPDFJDVZNGXDG-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCCC[C@H]1C 251082325 571800777 /nfs/dbraw/zinc/80/07/77/571800777.db2.gz MFKVUFMXDKMKBJ-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CCC[C@H]1C[NH3+] 250589192 571800934 /nfs/dbraw/zinc/80/09/34/571800934.db2.gz JRBDZHOLIOYXEO-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C[N@@H+](C)[C@H](C)C(C)(C)C)C(N)=[NH2+] 251088101 571800958 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ZBJALFISFQQSKP-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC[C@H]1CCC[N@H+]1[C@@H](C)C[NH3+] 400015851 571801378 /nfs/dbraw/zinc/80/13/78/571801378.db2.gz ZBJALFISFQQSKP-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H](C[N@@H+](C)[C@H](C)C(C)(C)C)C(N)=[NH2+] 251088103 571801417 /nfs/dbraw/zinc/80/14/17/571801417.db2.gz JPNXJGZPWOOSTI-RKDXNWHRSA-N 2 1 199.342 1.925 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C 250675570 571801654 /nfs/dbraw/zinc/80/16/54/571801654.db2.gz UFQAPGZXESRNND-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C 250675570 571801656 /nfs/dbraw/zinc/80/16/56/571801656.db2.gz UFQAPGZXESRNND-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+]1CCC2(CC2)C1)C(C)C 400015366 571801825 /nfs/dbraw/zinc/80/18/25/571801825.db2.gz YWYSLKLQIVZZGG-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCC2(CC2)C1)C(C)C 400015366 571801828 /nfs/dbraw/zinc/80/18/28/571801828.db2.gz YWYSLKLQIVZZGG-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP CSC[C@H]1CCC[N@@H+]1[C@H](C)C[NH3+] 400015853 571801880 /nfs/dbraw/zinc/80/18/80/571801880.db2.gz ZBJALFISFQQSKP-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC[C@H]1CCC[N@H+]1[C@H](C)C[NH3+] 400015853 571801883 /nfs/dbraw/zinc/80/18/83/571801883.db2.gz ZBJALFISFQQSKP-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@@H]([NH3+])CCC[N@H+]1CCC2(CC2)C1 400015826 571802042 /nfs/dbraw/zinc/80/20/42/571802042.db2.gz ZADFUUFFRPUWKE-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+](CC)[C@H](C)COC 251124867 571802213 /nfs/dbraw/zinc/80/22/13/571802213.db2.gz WXAPJHZUDRNLBQ-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+](CC)[C@H](C)COC 251124867 571802217 /nfs/dbraw/zinc/80/22/17/571802217.db2.gz WXAPJHZUDRNLBQ-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@@H+]1CCC[C@H]1C 250801943 571802398 /nfs/dbraw/zinc/80/23/98/571802398.db2.gz LUYHQBWKZVDQGL-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@H+]1CCC[C@H]1C 250801943 571802402 /nfs/dbraw/zinc/80/24/02/571802402.db2.gz LUYHQBWKZVDQGL-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC(C)(C)C(C)C 234437495 571802593 /nfs/dbraw/zinc/80/25/93/571802593.db2.gz UVSJIJMFFGAVMS-SNVBAGLBSA-N 2 1 186.343 1.866 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC1(C(C)C)CC1 234437567 571802733 /nfs/dbraw/zinc/80/27/33/571802733.db2.gz MHJJTLSZWMOCDA-SNVBAGLBSA-N 2 1 184.327 1.620 10 0 ADAEMP CC[C@H]([NH3+])CCC[N@H+]1CCC2(CC2)C1 400015827 571802886 /nfs/dbraw/zinc/80/28/86/571802886.db2.gz ZADFUUFFRPUWKE-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H]1C 250801938 571803159 /nfs/dbraw/zinc/80/31/59/571803159.db2.gz LUYHQBWKZVDQGL-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@H+]1CCC[C@H]1C 250801938 571803161 /nfs/dbraw/zinc/80/31/61/571803161.db2.gz LUYHQBWKZVDQGL-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H](C)C(C)(C)C 251147026 571803455 /nfs/dbraw/zinc/80/34/55/571803455.db2.gz XRFIRSMJSVOCMM-VHSXEESVSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+]1CCC[C@H]1C 251061444 571804044 /nfs/dbraw/zinc/80/40/44/571804044.db2.gz HWYZGRNAMHFSIS-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+]1CCC[C@H]1C 251061444 571804050 /nfs/dbraw/zinc/80/40/50/571804050.db2.gz HWYZGRNAMHFSIS-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@H]1C 251042318 571804220 /nfs/dbraw/zinc/80/42/20/571804220.db2.gz CVWBJNYMICOEBB-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CSC[C@@H]1CCC[N@@H+]1[C@@H](C)C[NH3+] 400015852 571804230 /nfs/dbraw/zinc/80/42/30/571804230.db2.gz ZBJALFISFQQSKP-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC[C@@H]1CCC[N@H+]1[C@@H](C)C[NH3+] 400015852 571804233 /nfs/dbraw/zinc/80/42/33/571804233.db2.gz ZBJALFISFQQSKP-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+]1CCC[C@H]1C 251061439 571804236 /nfs/dbraw/zinc/80/42/36/571804236.db2.gz HWYZGRNAMHFSIS-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+]1CCC[C@H]1C 251061439 571804237 /nfs/dbraw/zinc/80/42/37/571804237.db2.gz HWYZGRNAMHFSIS-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CSC[C@@H]1CCC[N@@H+]1[C@H](C)C[NH3+] 400015850 571804337 /nfs/dbraw/zinc/80/43/37/571804337.db2.gz ZBJALFISFQQSKP-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC[C@@H]1CCC[N@H+]1[C@H](C)C[NH3+] 400015850 571804340 /nfs/dbraw/zinc/80/43/40/571804340.db2.gz ZBJALFISFQQSKP-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)[C@H](C)C(C)(C)C 251043955 571804458 /nfs/dbraw/zinc/80/44/58/571804458.db2.gz POMCRSZXMGFJSE-JGVFFNPUSA-N 2 1 185.315 1.677 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)C(C)(C)C 251043955 571804465 /nfs/dbraw/zinc/80/44/65/571804465.db2.gz POMCRSZXMGFJSE-JGVFFNPUSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@@H](C[N@H+]1CCC[C@H]1C)[NH2+]C 251118205 571804545 /nfs/dbraw/zinc/80/45/45/571804545.db2.gz VTKISHNWHLWLSR-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CN(C)C(C)(C)[C@@H]([NH3+])Cc1ccco1 74241341 571808853 /nfs/dbraw/zinc/80/88/53/571808853.db2.gz HQHSBAVJBFYDIT-JTQLQIEISA-N 2 1 196.294 1.490 10 0 ADAEMP CC[NH2+]C[C@H](CC)[N@H+]1CCC[C@H]1C 251064202 571804756 /nfs/dbraw/zinc/80/47/56/571804756.db2.gz IIIZMVXOTRHQHO-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+](C)[C@H](C)COC 251125661 571804817 /nfs/dbraw/zinc/80/48/17/571804817.db2.gz IWMNLMDFCFFCIM-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+](C)[C@H](C)COC 251125661 571804819 /nfs/dbraw/zinc/80/48/19/571804819.db2.gz IWMNLMDFCFFCIM-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+]1CCCCC1 73653691 571804873 /nfs/dbraw/zinc/80/48/73/571804873.db2.gz GMNHYIJEYMQLEM-NEPJUHHUSA-N 2 1 196.338 1.813 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+]1CCCCC1 73653691 571804876 /nfs/dbraw/zinc/80/48/76/571804876.db2.gz GMNHYIJEYMQLEM-NEPJUHHUSA-N 2 1 196.338 1.813 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH+](C)C)C[C@@H]1C 73655977 571804891 /nfs/dbraw/zinc/80/48/91/571804891.db2.gz IZOVWBGQULJJAX-QWRGUYRKSA-N 2 1 184.327 1.811 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)C(C)(C)C 251147021 571804919 /nfs/dbraw/zinc/80/49/19/571804919.db2.gz XRFIRSMJSVOCMM-NXEZZACHSA-N 2 1 186.343 1.948 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+]1CCCC1 73653683 571804937 /nfs/dbraw/zinc/80/49/37/571804937.db2.gz GIOPAAKANGAERK-MNOVXSKESA-N 2 1 182.311 1.422 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+]1CCCC1 73653683 571804941 /nfs/dbraw/zinc/80/49/41/571804941.db2.gz GIOPAAKANGAERK-MNOVXSKESA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH+](C)C)[C@@H](C)C1 73654363 571804964 /nfs/dbraw/zinc/80/49/64/571804964.db2.gz DZLMPXAWNAQJRU-RYUDHWBXSA-N 2 1 198.354 1.914 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 73653621 571805222 /nfs/dbraw/zinc/80/52/22/571805222.db2.gz AXKVQKACRWHSTO-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 73653621 571805226 /nfs/dbraw/zinc/80/52/26/571805226.db2.gz AXKVQKACRWHSTO-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP COC[C@@H](C)[N@@H+](C)CCC[C@H](C)[NH3+] 251151215 571805420 /nfs/dbraw/zinc/80/54/20/571805420.db2.gz AQHIZERRHKMPPI-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C[NH3+])[N@H+](CC)[C@H](C)COC 251124870 571805485 /nfs/dbraw/zinc/80/54/85/571805485.db2.gz WXAPJHZUDRNLBQ-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C[NH3+])[N@@H+](CC)[C@H](C)COC 251124870 571805488 /nfs/dbraw/zinc/80/54/88/571805488.db2.gz WXAPJHZUDRNLBQ-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[NH2+][C@@H](CC)C1 234204746 571805495 /nfs/dbraw/zinc/80/54/95/571805495.db2.gz YDQYQKZMBNJAPK-TZNOJPMFSA-N 2 1 182.311 1.636 10 0 ADAEMP C/C=C/C[N@H+]1CCC[NH2+][C@@H](CC)C1 234204746 571805498 /nfs/dbraw/zinc/80/54/98/571805498.db2.gz YDQYQKZMBNJAPK-TZNOJPMFSA-N 2 1 182.311 1.636 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 73654013 571805560 /nfs/dbraw/zinc/80/55/60/571805560.db2.gz LGWIGPWFGFKXRR-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@H]1C 251042317 571805564 /nfs/dbraw/zinc/80/55/64/571805564.db2.gz CVWBJNYMICOEBB-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@H+](C)[C@H](C)COC 251125663 571805876 /nfs/dbraw/zinc/80/58/76/571805876.db2.gz IWMNLMDFCFFCIM-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@@H+](C)[C@H](C)COC 251125663 571805879 /nfs/dbraw/zinc/80/58/79/571805879.db2.gz IWMNLMDFCFFCIM-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[NH2+]C[C@@H](CC)[N@H+]1CCC[C@H]1C 251064199 571805905 /nfs/dbraw/zinc/80/59/05/571805905.db2.gz IIIZMVXOTRHQHO-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]([NH+]2CCCCC2)CC[N@@H+]1C 73655575 571806095 /nfs/dbraw/zinc/80/60/95/571806095.db2.gz LWIXZHOVXZWONF-NEPJUHHUSA-N 2 1 196.338 1.955 10 0 ADAEMP C[C@@H]1C[C@@H]([NH+]2CCCCC2)CC[N@H+]1C 73655575 571806099 /nfs/dbraw/zinc/80/60/99/571806099.db2.gz LWIXZHOVXZWONF-NEPJUHHUSA-N 2 1 196.338 1.955 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C2CC2)[C@H](C)C1 73654011 571806107 /nfs/dbraw/zinc/80/61/07/571806107.db2.gz LGWIGPWFGFKXRR-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C[NH2+]C)[N@H+]1CCC[C@H]1C 251048634 571806203 /nfs/dbraw/zinc/80/62/03/571806203.db2.gz FOYVHXRFYRXKRB-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@H+](C2CC2)C[C@H]1C 250829564 571806438 /nfs/dbraw/zinc/80/64/38/571806438.db2.gz QKLALEQHONKPKL-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)[C@H]1CCSC1 251180136 571809967 /nfs/dbraw/zinc/80/99/67/571809967.db2.gz GZZIAANHTGIVGE-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1C[C@H]([NH+]2CCCCC2)CC[N@@H+]1C 73655571 571806557 /nfs/dbraw/zinc/80/65/57/571806557.db2.gz LWIXZHOVXZWONF-NWDGAFQWSA-N 2 1 196.338 1.955 10 0 ADAEMP C[C@H]1C[C@H]([NH+]2CCCCC2)CC[N@H+]1C 73655571 571806561 /nfs/dbraw/zinc/80/65/61/571806561.db2.gz LWIXZHOVXZWONF-NWDGAFQWSA-N 2 1 196.338 1.955 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@H+](C2CC2)C[C@H]1C 250829563 571806694 /nfs/dbraw/zinc/80/66/94/571806694.db2.gz QKLALEQHONKPKL-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H]([NH+](C)C)CC[N@@H+]1C 73655655 571806696 /nfs/dbraw/zinc/80/66/96/571806696.db2.gz MRPJUASRMDTNRL-IUCAKERBSA-N 2 1 156.273 1.031 10 0 ADAEMP C[C@H]1C[C@@H]([NH+](C)C)CC[N@H+]1C 73655655 571806699 /nfs/dbraw/zinc/80/66/99/571806699.db2.gz MRPJUASRMDTNRL-IUCAKERBSA-N 2 1 156.273 1.031 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C)CC[N@@H+]1C 73655471 571806823 /nfs/dbraw/zinc/80/68/23/571806823.db2.gz XPYCUESWYWMUMJ-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+]C(C)(C)C)CC[N@H+]1C 73655471 571806827 /nfs/dbraw/zinc/80/68/27/571806827.db2.gz XPYCUESWYWMUMJ-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP C[NH+](C)C1CC[NH+](C2CC2)CC1 73653383 571806879 /nfs/dbraw/zinc/80/68/79/571806879.db2.gz MLFNKNLWZDTFSF-UHFFFAOYSA-N 2 1 168.284 1.175 10 0 ADAEMP CC[C@H](C[N@H+]1CCC[C@H]1C)[NH2+]C 251118204 571806969 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/nfs/dbraw/zinc/80/73/05/571807305.db2.gz GUAWNCQDJJRLCY-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH+](C)C)C[C@@H]1C 73655980 571807331 /nfs/dbraw/zinc/80/73/31/571807331.db2.gz IZOVWBGQULJJAX-WDEREUQCSA-N 2 1 184.327 1.811 10 0 ADAEMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C(C)(C)C 73653629 571807426 /nfs/dbraw/zinc/80/74/26/571807426.db2.gz GUAWNCQDJJRLCY-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C(C)(C)C 73653629 571807427 /nfs/dbraw/zinc/80/74/27/571807427.db2.gz GUAWNCQDJJRLCY-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[C@H]([NH+]2CCCC2)CC[N@@H+]1C 73655559 571807469 /nfs/dbraw/zinc/80/74/69/571807469.db2.gz QMWMWYZZMVPAGU-GHMZBOCLSA-N 2 1 182.311 1.565 10 0 ADAEMP C[C@@H]1C[C@H]([NH+]2CCCC2)CC[N@H+]1C 73655559 571807471 /nfs/dbraw/zinc/80/74/71/571807471.db2.gz QMWMWYZZMVPAGU-GHMZBOCLSA-N 2 1 182.311 1.565 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 73653624 571807494 /nfs/dbraw/zinc/80/74/94/571807494.db2.gz AXKVQKACRWHSTO-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 73653624 571807497 /nfs/dbraw/zinc/80/74/97/571807497.db2.gz AXKVQKACRWHSTO-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)C[C@H](C)C[NH3+] 251283132 571807662 /nfs/dbraw/zinc/80/76/62/571807662.db2.gz GMUPABBXJHFFIU-GHMZBOCLSA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CC[C@H]1CCC[NH2+]1 251517734 571807698 /nfs/dbraw/zinc/80/76/98/571807698.db2.gz JBIZGKWVSCJLQY-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH+](C)C)[C@H](C)C1 73654074 571807947 /nfs/dbraw/zinc/80/79/47/571807947.db2.gz DXTPTDLWUFWZBP-GHMZBOCLSA-N 2 1 184.327 1.668 10 0 ADAEMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+]1CCCC1 73653686 571807967 /nfs/dbraw/zinc/80/79/67/571807967.db2.gz GIOPAAKANGAERK-QWRGUYRKSA-N 2 1 182.311 1.422 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+]1CCCC1 73653686 571807970 /nfs/dbraw/zinc/80/79/70/571807970.db2.gz GIOPAAKANGAERK-QWRGUYRKSA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH+](C)C)[C@H](C)C1 73654361 571808057 /nfs/dbraw/zinc/80/80/57/571808057.db2.gz DZLMPXAWNAQJRU-NEPJUHHUSA-N 2 1 198.354 1.914 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](C)[C@H](C)C1CC1 251265173 571808063 /nfs/dbraw/zinc/80/80/63/571808063.db2.gz ZJMQAEWKPCOZPH-VXNVDRBHSA-N 2 1 183.299 1.431 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)C1CC1 251265173 571808067 /nfs/dbraw/zinc/80/80/67/571808067.db2.gz ZJMQAEWKPCOZPH-VXNVDRBHSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H]1C[C@@H]([NH+]2CCCCC2)CC[N@@H+]1C 73655582 571808192 /nfs/dbraw/zinc/80/81/92/571808192.db2.gz LWIXZHOVXZWONF-RYUDHWBXSA-N 2 1 196.338 1.955 10 0 ADAEMP C[C@H]1C[C@@H]([NH+]2CCCCC2)CC[N@H+]1C 73655582 571808196 /nfs/dbraw/zinc/80/81/96/571808196.db2.gz LWIXZHOVXZWONF-RYUDHWBXSA-N 2 1 196.338 1.955 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+](C)[C@H](C)COC 251191874 571808404 /nfs/dbraw/zinc/80/84/04/571808404.db2.gz ARGNSYGQYXHRPW-UTLUCORTSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+](C)[C@H](C)COC 251191874 571808409 /nfs/dbraw/zinc/80/84/09/571808409.db2.gz ARGNSYGQYXHRPW-UTLUCORTSA-N 2 1 188.315 1.079 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 251520960 571808509 /nfs/dbraw/zinc/80/85/09/571808509.db2.gz JKYUIZFKOCFDBJ-ADEWGFFLSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC[C@H]1CCC[NH2+]1 251517362 571808535 /nfs/dbraw/zinc/80/85/35/571808535.db2.gz JBIZGKWVSCJLQY-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCC(C)(C)C 74309851 571810110 /nfs/dbraw/zinc/81/01/10/571810110.db2.gz GHHHKFDRZULCOA-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCC[C@H]1C 251268985 571808606 /nfs/dbraw/zinc/80/86/06/571808606.db2.gz MJDAMMSYZFSOPK-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@H](C[N@H+]1CC[C@H](C)C1)C(C)(C)C 251521874 571808642 /nfs/dbraw/zinc/80/86/42/571808642.db2.gz ACQKWNQGXUYMRL-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH+](C)C)[C@H](C)C1 73654070 571808688 /nfs/dbraw/zinc/80/86/88/571808688.db2.gz DXTPTDLWUFWZBP-MNOVXSKESA-N 2 1 184.327 1.668 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)[C@@H]1C 222166309 571808710 /nfs/dbraw/zinc/80/87/10/571808710.db2.gz GLQXZEKURZFLGO-KXUCPTDWSA-N 2 1 170.300 1.359 10 0 ADAEMP CN(C)C(C)(C)[C@H]([NH3+])Cc1ccco1 74241339 571808801 /nfs/dbraw/zinc/80/88/01/571808801.db2.gz HQHSBAVJBFYDIT-SNVBAGLBSA-N 2 1 196.294 1.490 10 0 ADAEMP C[C@@H]1C[C@H]([NH+]2CCCCC2)CC[N@@H+]1C 73655567 571808866 /nfs/dbraw/zinc/80/88/66/571808866.db2.gz LWIXZHOVXZWONF-VXGBXAGGSA-N 2 1 196.338 1.955 10 0 ADAEMP C[C@@H]1C[C@H]([NH+]2CCCCC2)CC[N@H+]1C 73655567 571808867 /nfs/dbraw/zinc/80/88/67/571808867.db2.gz LWIXZHOVXZWONF-VXGBXAGGSA-N 2 1 196.338 1.955 10 0 ADAEMP C[C@H](CCC[NH3+])[N@@H+](C)[C@H](C)C1CC1 251204344 571808943 /nfs/dbraw/zinc/80/89/43/571808943.db2.gz LHPOJSIRIPESOQ-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@@H](C[N@@H+]1CCC[C@H]1C)[NH2+]C 251211910 571808973 /nfs/dbraw/zinc/80/89/73/571808973.db2.gz WZLHMJUZOMNJNL-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[N@H+]1CCC[C@H]1C)[NH2+]C 251211910 571808981 /nfs/dbraw/zinc/80/89/81/571808981.db2.gz WZLHMJUZOMNJNL-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)[C@H]1CCSC1 251180135 571810548 /nfs/dbraw/zinc/81/05/48/571810548.db2.gz GZZIAANHTGIVGE-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC(C)[NH+]1CCC([NH+]2CCCC2)CC1 73653009 571809331 /nfs/dbraw/zinc/80/93/31/571809331.db2.gz HFVBKRVIQWTVQM-UHFFFAOYSA-N 2 1 196.338 1.955 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 251520972 571809465 /nfs/dbraw/zinc/80/94/65/571809465.db2.gz JKYUIZFKOCFDBJ-JLLWLGSASA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)[C@H](C)C1CC1 251270113 571809485 /nfs/dbraw/zinc/80/94/85/571809485.db2.gz XMBCKWCQOVZGAG-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)C[C@H](C)C(N)=[NH2+] 251244023 571809506 /nfs/dbraw/zinc/80/95/06/571809506.db2.gz BALPDRONLIQWNE-ZJUUUORDSA-N 2 1 199.342 1.926 10 0 ADAEMP CCC[C@H](C[N@@H+]1CCC[C@H]1C)[NH2+]C 251211908 571810152 /nfs/dbraw/zinc/81/01/52/571810152.db2.gz WZLHMJUZOMNJNL-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C[N@H+]1CCC[C@H]1C)[NH2+]C 251211908 571810155 /nfs/dbraw/zinc/81/01/55/571810155.db2.gz WZLHMJUZOMNJNL-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP COC[C@@H](C)[N@@H+](C)[C@H](C)CCC[NH3+] 251259933 571810383 /nfs/dbraw/zinc/81/03/83/571810383.db2.gz VYSXISKHNIJINQ-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCC(C)(C)C 74309853 571810471 /nfs/dbraw/zinc/81/04/71/571810471.db2.gz GHHHKFDRZULCOA-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)[C@H](C)C1CC1 251171484 571810741 /nfs/dbraw/zinc/81/07/41/571810741.db2.gz FEEVCCRSSWFGJG-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCSC1 251173215 571810821 /nfs/dbraw/zinc/81/08/21/571810821.db2.gz FMWRVFXMYMMSQT-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+](C)[C@H](C)C1CC1 251204348 571810976 /nfs/dbraw/zinc/81/09/76/571810976.db2.gz LHPOJSIRIPESOQ-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH+](C)[C@H](C[NH3+])CC1CCCCC1 74282274 571810993 /nfs/dbraw/zinc/81/09/93/571810993.db2.gz AXLJXLNELGIQCW-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@@H+](C)[C@H](C)C1CC1 251195019 571811131 /nfs/dbraw/zinc/81/11/31/571811131.db2.gz JTNMUWBOZDCKFC-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)[C@H](C)C1CC1 251195022 571811189 /nfs/dbraw/zinc/81/11/89/571811189.db2.gz JTNMUWBOZDCKFC-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)C1CC1 251486801 571811202 /nfs/dbraw/zinc/81/12/02/571811202.db2.gz GFQCHVRUVWGOGP-RNFRBKRXSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+](C)[C@H](C)C1CC1 251486801 571811205 /nfs/dbraw/zinc/81/12/05/571811205.db2.gz GFQCHVRUVWGOGP-RNFRBKRXSA-N 2 1 169.272 1.041 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)[C@H](C)C(C)C 251199188 571811213 /nfs/dbraw/zinc/81/12/13/571811213.db2.gz GBVLBNNEBIJWCT-BDAKNGLRSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)C(C)C 251199188 571811217 /nfs/dbraw/zinc/81/12/17/571811217.db2.gz GBVLBNNEBIJWCT-BDAKNGLRSA-N 2 1 185.315 1.677 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)[C@H](C)C1CC1 251171482 571811367 /nfs/dbraw/zinc/81/13/67/571811367.db2.gz FEEVCCRSSWFGJG-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCSC1 251173213 571811374 /nfs/dbraw/zinc/81/13/74/571811374.db2.gz FMWRVFXMYMMSQT-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](C)[C@H](C)C(C)C 251199191 571811457 /nfs/dbraw/zinc/81/14/57/571811457.db2.gz GBVLBNNEBIJWCT-RKDXNWHRSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)C(C)C 251199191 571811460 /nfs/dbraw/zinc/81/14/60/571811460.db2.gz GBVLBNNEBIJWCT-RKDXNWHRSA-N 2 1 185.315 1.677 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+]1CCC[C@H]1C 251223121 571811578 /nfs/dbraw/zinc/81/15/78/571811578.db2.gz ZAMMRPQSNBKLCJ-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC[C@H](C)[NH3+] 251521036 571811725 /nfs/dbraw/zinc/81/17/25/571811725.db2.gz ADXUCJBPSHWGLP-UWVGGRQHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)[C@H](C)C1CC1 251270109 571811796 /nfs/dbraw/zinc/81/17/96/571811796.db2.gz XMBCKWCQOVZGAG-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCC[C@H](C)[NH3+] 251521048 571811821 /nfs/dbraw/zinc/81/18/21/571811821.db2.gz ADXUCJBPSHWGLP-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@](C)(C[NH3+])C[N@H+]1CCC[C@H]1C 251268982 571811916 /nfs/dbraw/zinc/81/19/16/571811916.db2.gz MJDAMMSYZFSOPK-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCc1ccccc1 74268377 571811942 /nfs/dbraw/zinc/81/19/42/571811942.db2.gz IXMVOVJULRXOEV-GFCCVEGCSA-N 2 1 192.306 1.508 10 0 ADAEMP C[NH2+]CC[NH2+]C[C@@H]1CCC(F)(F)C1 301028064 571811992 /nfs/dbraw/zinc/81/19/92/571811992.db2.gz SUXCBEDNBBJRKV-MRVPVSSYSA-N 2 1 192.253 1.231 10 0 ADAEMP C[NH2+]CC[NH2+]C[C@H]1CCC(F)(F)C1 301028066 571812165 /nfs/dbraw/zinc/81/21/65/571812165.db2.gz SUXCBEDNBBJRKV-QMMMGPOBSA-N 2 1 192.253 1.231 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)[C@H](C)C(C)C 251272925 571812200 /nfs/dbraw/zinc/81/22/00/571812200.db2.gz CBNVYZUWRVDOBH-GHMZBOCLSA-N 2 1 186.343 1.818 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH2+]C 251268428 571812313 /nfs/dbraw/zinc/81/23/13/571812313.db2.gz DSDKCBMYPLSFAZ-MNOVXSKESA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C 251223119 571812395 /nfs/dbraw/zinc/81/23/95/571812395.db2.gz ZAMMRPQSNBKLCJ-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@H](C)COC 251191870 571812469 /nfs/dbraw/zinc/81/24/69/571812469.db2.gz ARGNSYGQYXHRPW-BBBLOLIVSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@H](C)COC 251191870 571812471 /nfs/dbraw/zinc/81/24/71/571812471.db2.gz ARGNSYGQYXHRPW-BBBLOLIVSA-N 2 1 188.315 1.079 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC1(C2CC2)CC1 234437775 571812494 /nfs/dbraw/zinc/81/24/94/571812494.db2.gz WBZCQXNHHDORGE-SECBINFHSA-N 2 1 182.311 1.374 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)C[C@H](C)C[NH3+] 251283136 571812503 /nfs/dbraw/zinc/81/25/03/571812503.db2.gz GMUPABBXJHFFIU-WDEREUQCSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)[C@H](C)C1CC1 251265171 571812528 /nfs/dbraw/zinc/81/25/28/571812528.db2.gz ZJMQAEWKPCOZPH-APPZFPTMSA-N 2 1 183.299 1.431 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)[C@H](C)C1CC1 251265171 571812531 /nfs/dbraw/zinc/81/25/31/571812531.db2.gz ZJMQAEWKPCOZPH-APPZFPTMSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[C@H]1[NH3+] 251520982 571812565 /nfs/dbraw/zinc/81/25/65/571812565.db2.gz JKYUIZFKOCFDBJ-YUSALJHKSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCc1ccccc1 74268380 571812582 /nfs/dbraw/zinc/81/25/82/571812582.db2.gz IXMVOVJULRXOEV-LBPRGKRZSA-N 2 1 192.306 1.508 10 0 ADAEMP C[NH+](C)[C@@H](C[NH3+])CC1CCCCC1 74282278 571812682 /nfs/dbraw/zinc/81/26/82/571812682.db2.gz AXLJXLNELGIQCW-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@@H+](C)[C@H](C)C(C)C 251322879 571813067 /nfs/dbraw/zinc/81/30/67/571813067.db2.gz MNEUQQJGNPQREH-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH2+][C@H]1C[C@H]1C 251353609 571813263 /nfs/dbraw/zinc/81/32/63/571813263.db2.gz NFRIHNQGMQYHDM-UTLUCORTSA-N 2 1 170.300 1.373 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+](C)C[C@H](C)C(N)=[NH2+] 251351522 571813294 /nfs/dbraw/zinc/81/32/94/571813294.db2.gz BNUFDJKKFDFJCK-VHSXEESVSA-N 2 1 199.342 1.925 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 251439673 571813305 /nfs/dbraw/zinc/81/33/05/571813305.db2.gz UYNDTXDJXVEHHJ-MNOVXSKESA-N 2 1 186.343 1.948 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CC1CCCC1 74310703 571813354 /nfs/dbraw/zinc/81/33/54/571813354.db2.gz WZRAGUMWVLTVGW-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]1CCC[N@@H+](C[C@H](C)C[NH3+])C1 251528140 571813360 /nfs/dbraw/zinc/81/33/60/571813360.db2.gz AFYKSCUSDLLWNJ-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP Cc1ccc(CCC[NH2+]CC[NH3+])cc1 74339403 571813401 /nfs/dbraw/zinc/81/34/01/571813401.db2.gz IOYNQNWXJDCJEZ-UHFFFAOYSA-N 2 1 192.306 1.476 10 0 ADAEMP COC1CC(C[NH3+])([NH2+]C2CCCC2)C1 234597952 571813483 /nfs/dbraw/zinc/81/34/83/571813483.db2.gz CQGWRBQWGLIPRD-UHFFFAOYSA-N 2 1 198.310 1.025 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)CC(C)C)C1 251438134 571813574 /nfs/dbraw/zinc/81/35/74/571813574.db2.gz URHSHHILMXUPLG-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CC1CCCC1 74310702 571814339 /nfs/dbraw/zinc/81/43/39/571814339.db2.gz WZRAGUMWVLTVGW-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H](C)CCC[NH3+])C1 251522832 571816621 /nfs/dbraw/zinc/81/66/21/571816621.db2.gz AFGOBLMGSMYTTC-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@H+]1CCC[C@H]1C 251299003 571814599 /nfs/dbraw/zinc/81/45/99/571814599.db2.gz ISPMFFLBUAQLPI-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H](C)C[N@@H+](CC)C[C@H](C)C(N)=[NH2+] 251525511 571814666 /nfs/dbraw/zinc/81/46/66/571814666.db2.gz AKIITGIMTTUTDZ-ZJUUUORDSA-N 2 1 199.342 1.926 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@@H]1C 37910595 571814719 /nfs/dbraw/zinc/81/47/19/571814719.db2.gz VYGKYRMFZILOHH-GUBZILKMSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1[C@H](CC)C(N)=[NH2+] 251742837 571814834 /nfs/dbraw/zinc/81/48/34/571814834.db2.gz KYIJLLSQDWRZKU-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H]1CCCC[N@@H+]1[C@H](CC)C(N)=[NH2+] 251742837 571814838 /nfs/dbraw/zinc/81/48/38/571814838.db2.gz KYIJLLSQDWRZKU-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@@H]1C 37910081 571814868 /nfs/dbraw/zinc/81/48/68/571814868.db2.gz CVWBJNYMICOEBB-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCCC[NH3+] 37910071 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/nfs/dbraw/zinc/83/27/71/571832771.db2.gz UPHUOXSETUAOBJ-JGVFFNPUSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC[C@H]2CCC[NH2+]2)C1 251757004 571832782 /nfs/dbraw/zinc/83/27/82/571832782.db2.gz SYSUCFVSZWQFEC-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](CC)C[NH3+] 78697401 571832837 /nfs/dbraw/zinc/83/28/37/571832837.db2.gz JZRBHKAJFHXQRL-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)C1 252214507 571832902 /nfs/dbraw/zinc/83/29/02/571832902.db2.gz YWPBGYXOOUOHJC-GRYCIOLGSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@H+]1CCCC[C@H]1C 252182659 571833441 /nfs/dbraw/zinc/83/34/41/571833441.db2.gz QHDZJLREYXTQDE-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CCC[N@@H+]1[C@H](CC)CC(N)=[NH2+] 252419108 571832990 /nfs/dbraw/zinc/83/29/90/571832990.db2.gz YDFCVWXVKZYOPF-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@H+]1CCC[C@H]1C 252208110 571833136 /nfs/dbraw/zinc/83/31/36/571833136.db2.gz VOJZYMRFANQNGF-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](N)C[N@@H+](C)[C@H](C)C(C)C 252389127 571833174 /nfs/dbraw/zinc/83/31/74/571833174.db2.gz HPYOJVFOLLLHFB-ZJUUUORDSA-N 2 1 172.316 1.700 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CCC[C@H](C)C1 252151809 571833196 /nfs/dbraw/zinc/83/31/96/571833196.db2.gz MPLZIEYYEWNKIO-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](CC)C[NH3+] 78697394 571833283 /nfs/dbraw/zinc/83/32/83/571833283.db2.gz JZRBHKAJFHXQRL-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)[C@H](C)C1CC1 252416840 571833313 /nfs/dbraw/zinc/83/33/13/571833313.db2.gz TUVIQVTWYQUNAT-PSASIEDQSA-N 2 1 197.326 1.821 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@H+]1CCC[C@H](C)C1 252139579 571833355 /nfs/dbraw/zinc/83/33/55/571833355.db2.gz MANKMGAAGYMOOC-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@H+]1CCC[C@H]1C 252418403 571833500 /nfs/dbraw/zinc/83/35/00/571833500.db2.gz VWUBBZLEXORGIN-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@H](C)C[NH3+] 252420600 571833551 /nfs/dbraw/zinc/83/35/51/571833551.db2.gz YDKJRTNTGVLJOI-ZJUUUORDSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 252405105 571833666 /nfs/dbraw/zinc/83/36/66/571833666.db2.gz DKLLZACFYUSLBG-ADEWGFFLSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1N 252410086 571833782 /nfs/dbraw/zinc/83/37/82/571833782.db2.gz KZOIWHLBVQOUCY-HBNTYKKESA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CC[C@H](C)[NH3+] 252435407 571834426 /nfs/dbraw/zinc/83/44/26/571834426.db2.gz JSMTXNFQMMHMMA-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)CC[C@H](C)[NH3+] 252435983 571834518 /nfs/dbraw/zinc/83/45/18/571834518.db2.gz MLRNYLRWBNILGD-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)[C@H](C)CC[NH3+] 252438397 571834698 /nfs/dbraw/zinc/83/46/98/571834698.db2.gz AXJUKTOGHRUQMS-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 252439070 571834712 /nfs/dbraw/zinc/83/47/12/571834712.db2.gz KHERWNADTWOMFG-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C 252457934 571837438 /nfs/dbraw/zinc/83/74/38/571837438.db2.gz BEMVKQZBMOIGNJ-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@H](CC)CC(N)=[NH2+] 252436528 571834900 /nfs/dbraw/zinc/83/49/00/571834900.db2.gz PNWDHLYFXFUYCA-RKDXNWHRSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)[C@H](C)CC[NH3+] 252438655 571835430 /nfs/dbraw/zinc/83/54/30/571835430.db2.gz FDQYMHHAPNVQAI-NXEZZACHSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 252447161 571835506 /nfs/dbraw/zinc/83/55/06/571835506.db2.gz GPJCYOHGMMJWSQ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 252447161 571835508 /nfs/dbraw/zinc/83/55/08/571835508.db2.gz GPJCYOHGMMJWSQ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)[C@H](C)C1CC1 252439952 571835565 /nfs/dbraw/zinc/83/55/65/571835565.db2.gz VFGDVZVVAVBNOH-JGVFFNPUSA-N 2 1 183.299 1.431 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)[C@H](C)CC[NH3+] 252438396 571835602 /nfs/dbraw/zinc/83/56/02/571835602.db2.gz AXJUKTOGHRUQMS-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@H]1C[NH3+] 252435867 571835866 /nfs/dbraw/zinc/83/58/66/571835866.db2.gz LUJSWOGFDROTGS-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP COC(C)(C)C[C@H](C[NH3+])[NH2+]C(C)C 234634829 571835892 /nfs/dbraw/zinc/83/58/92/571835892.db2.gz KRQUCYKVGXUJIM-SECBINFHSA-N 2 1 188.315 1.127 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@H](C)C[NH3+] 252435758 571836031 /nfs/dbraw/zinc/83/60/31/571836031.db2.gz LEPDTOFIEBFZLT-VHSXEESVSA-N 2 1 172.316 1.559 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C 252457933 571836063 /nfs/dbraw/zinc/83/60/63/571836063.db2.gz BEMVKQZBMOIGNJ-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC[C@H](C)[NH3+] 252437934 571836195 /nfs/dbraw/zinc/83/61/95/571836195.db2.gz YMQBZZJCTWOXCX-IUCAKERBSA-N 2 1 158.289 1.454 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)C[C@H](C)C(N)=[NH2+] 252433565 571836219 /nfs/dbraw/zinc/83/62/19/571836219.db2.gz CUPFELWDPPZUET-DTWKUNHWSA-N 2 1 185.315 1.679 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCCC[C@H]1C 252434334 571836296 /nfs/dbraw/zinc/83/62/96/571836296.db2.gz LSBRHUYWXAKBFT-ZJUUUORDSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CCCC[C@H]1C 252434333 571836349 /nfs/dbraw/zinc/83/63/49/571836349.db2.gz LSBRHUYWXAKBFT-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CC[C@H](C)[NH3+] 252435408 571836386 /nfs/dbraw/zinc/83/63/86/571836386.db2.gz JSMTXNFQMMHMMA-ZJUUUORDSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 252435866 571836402 /nfs/dbraw/zinc/83/64/02/571836402.db2.gz LUJSWOGFDROTGS-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H](CC)CC[NH3+] 252435441 571837864 /nfs/dbraw/zinc/83/78/64/571837864.db2.gz JWCMQLHBXNRJSU-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@H]1CC[NH+]2CC[C@H](C)C12C[NH3+] 38234262 571836674 /nfs/dbraw/zinc/83/66/74/571836674.db2.gz SFJBLFUCXIHIDF-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1[C@H](C)CC(N)=[NH2+] 252439179 571836721 /nfs/dbraw/zinc/83/67/21/571836721.db2.gz LPRLEFSIOKODMR-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)CC[C@H](C)[NH3+] 252435982 571836769 /nfs/dbraw/zinc/83/67/69/571836769.db2.gz MLRNYLRWBNILGD-UWVGGRQHSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)[C@H](C)CC(N)=[NH2+] 252439233 571836831 /nfs/dbraw/zinc/83/68/31/571836831.db2.gz MBRIBKWYSFIZIU-RKDXNWHRSA-N 2 1 185.315 1.821 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)[C@H](C)C1CC1 252439208 571836932 /nfs/dbraw/zinc/83/69/32/571836932.db2.gz LTTMRECKXYBRHH-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1CCC[N@H+]([C@H](C)CC(N)=[NH2+])C1 252439150 571836951 /nfs/dbraw/zinc/83/69/51/571836951.db2.gz LDKCBCBXSQZZBQ-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@H](CC[NH3+])C[N@H+]1CCC[C@H](F)C1 689418587 571837889 /nfs/dbraw/zinc/83/78/89/571837889.db2.gz FKAHNMVJAHZODG-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@H](C)CC(N)=[NH2+] 252439140 571837198 /nfs/dbraw/zinc/83/71/98/571837198.db2.gz KYSZJFXWSICTCJ-HTQZYQBOSA-N 2 1 171.288 1.431 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@H+]1CCC[C@@H](F)C1 689418584 571837251 /nfs/dbraw/zinc/83/72/51/571837251.db2.gz FKAHNMVJAHZODG-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)C[C@H](C)C[NH3+] 252434473 571837308 /nfs/dbraw/zinc/83/73/08/571837308.db2.gz FRYYIHSWQMFLLZ-ZJUUUORDSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 252447160 571837430 /nfs/dbraw/zinc/83/74/30/571837430.db2.gz GPJCYOHGMMJWSQ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@H+]([C@H](C)C2CC2)C1 252447160 571837432 /nfs/dbraw/zinc/83/74/32/571837432.db2.gz GPJCYOHGMMJWSQ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)[C@H](C)CC[NH3+] 252438622 571837473 /nfs/dbraw/zinc/83/74/73/571837473.db2.gz DUJRYFQSCZZDCW-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@H+]1CCC[C@H](F)C1 689418580 571837512 /nfs/dbraw/zinc/83/75/12/571837512.db2.gz FKAHNMVJAHZODG-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H](CC[NH3+])C[N@H+]1CCC[C@@H](F)C1 689418578 571837528 /nfs/dbraw/zinc/83/75/28/571837528.db2.gz FKAHNMVJAHZODG-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)[C@H](C)C1CC1 252439207 571837558 /nfs/dbraw/zinc/83/75/58/571837558.db2.gz LTTMRECKXYBRHH-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@H](C)C[NH3+] 252435757 571837598 /nfs/dbraw/zinc/83/75/98/571837598.db2.gz LEPDTOFIEBFZLT-NXEZZACHSA-N 2 1 172.316 1.559 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@H](C)CC[NH3+] 252440220 571837683 /nfs/dbraw/zinc/83/76/83/571837683.db2.gz YKWJGGQNBMCAFR-ZJUUUORDSA-N 2 1 172.316 1.700 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)[C@H](C)CC(N)=[NH2+] 252439984 571837700 /nfs/dbraw/zinc/83/77/00/571837700.db2.gz VSCWKXLTRJZYRJ-RKDXNWHRSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 252439071 571837790 /nfs/dbraw/zinc/83/77/90/571837790.db2.gz KHERWNADTWOMFG-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)[C@H](C)CC[NH3+] 252438656 571838287 /nfs/dbraw/zinc/83/82/87/571838287.db2.gz FDQYMHHAPNVQAI-VHSXEESVSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]1C[NH3+] 252435868 571838371 /nfs/dbraw/zinc/83/83/71/571838371.db2.gz LUJSWOGFDROTGS-GARJFASQSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CCC[C@H]1C[NH3+] 252436148 571838452 /nfs/dbraw/zinc/83/84/52/571838452.db2.gz NKRDZKANPLGCMY-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1C[C@H](C)C(N)=[NH2+] 252436844 571838465 /nfs/dbraw/zinc/83/84/65/571838465.db2.gz RULARRDDQAHBAS-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@H](CC)CC[NH3+] 252435440 571838578 /nfs/dbraw/zinc/83/85/78/571838578.db2.gz JWCMQLHBXNRJSU-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CCC[C@H]1C[NH3+] 252436149 571838603 /nfs/dbraw/zinc/83/86/03/571838603.db2.gz NKRDZKANPLGCMY-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CCC1CCC1 258828234 571838886 /nfs/dbraw/zinc/83/88/86/571838886.db2.gz FXYUDUGEPUNGOW-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP C[C@H](CC[NH3+])C[N@H+]1CC[C@@H]2CCC[C@@H]21 393522574 571840744 /nfs/dbraw/zinc/84/07/44/571840744.db2.gz PVVCLUTYCYGKTR-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CCSC[C@@H](C)[N@H+](C)[C@@H](C)C[NH3+] 687925257 571840859 /nfs/dbraw/zinc/84/08/59/571840859.db2.gz NQYCRHKOYRLPQI-DTWKUNHWSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@@H](C)[N@@H+](C)[C@@H](C)C[NH3+] 687925257 571840862 /nfs/dbraw/zinc/84/08/62/571840862.db2.gz NQYCRHKOYRLPQI-DTWKUNHWSA-N 2 1 190.356 1.407 10 0 ADAEMP C[C@H](c1cccs1)[NH+]1CC(C[NH3+])C1 712566617 571841311 /nfs/dbraw/zinc/84/13/11/571841311.db2.gz DWFOUEGQKKCPQX-MRVPVSSYSA-N 2 1 196.319 1.700 10 0 ADAEMP C[C@@H](c1cccs1)[NH+]1CC(C[NH3+])C1 712566619 571841911 /nfs/dbraw/zinc/84/19/11/571841911.db2.gz DWFOUEGQKKCPQX-QMMMGPOBSA-N 2 1 196.319 1.700 10 0 ADAEMP CCSC[C@@H](C)[N@H+](C)[C@H](C)C[NH3+] 687925267 571842277 /nfs/dbraw/zinc/84/22/77/571842277.db2.gz NQYCRHKOYRLPQI-RKDXNWHRSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@@H](C)[N@@H+](C)[C@H](C)C[NH3+] 687925267 571842280 /nfs/dbraw/zinc/84/22/80/571842280.db2.gz NQYCRHKOYRLPQI-RKDXNWHRSA-N 2 1 190.356 1.407 10 0 ADAEMP C[C@@H]1C[C@@H](Nc2[nH]cc[nH+]2)CC[N@H+]1C 235367563 571842591 /nfs/dbraw/zinc/84/25/91/571842591.db2.gz YDVQGQQZIPLBKG-BDAKNGLRSA-N 2 1 194.282 1.304 10 0 ADAEMP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]cc1 712580815 571842794 /nfs/dbraw/zinc/84/27/94/571842794.db2.gz JVJPZRALYDVYPK-LLVKDONJSA-N 2 1 191.278 1.010 10 0 ADAEMP CCSC[C@H](C)[N@H+](C)[C@@H](C)C[NH3+] 687925264 571842831 /nfs/dbraw/zinc/84/28/31/571842831.db2.gz NQYCRHKOYRLPQI-IUCAKERBSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@H](C)[N@@H+](C)[C@@H](C)C[NH3+] 687925264 571842836 /nfs/dbraw/zinc/84/28/36/571842836.db2.gz NQYCRHKOYRLPQI-IUCAKERBSA-N 2 1 190.356 1.407 10 0 ADAEMP C[N@@H+](CC(C)(C)CC[NH3+])C1CCC1 258989151 571845288 /nfs/dbraw/zinc/84/52/88/571845288.db2.gz VQIUPAUVDUJIBY-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@H+](C)C(C)(C)C[NH2+]C 259102259 571842893 /nfs/dbraw/zinc/84/28/93/571842893.db2.gz ZZWGPOVGWSDBKE-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCCC[N@@H+](C)C(C)(C)C[NH2+]C 259102259 571842897 /nfs/dbraw/zinc/84/28/97/571842897.db2.gz ZZWGPOVGWSDBKE-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CCC[C@H](F)C1 689419583 571843073 /nfs/dbraw/zinc/84/30/73/571843073.db2.gz JAJQXOLSFWVBBS-UTLUCORTSA-N 2 1 188.290 1.404 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 233915435 571843150 /nfs/dbraw/zinc/84/31/50/571843150.db2.gz INODJSLHROSAJJ-BBBLOLIVSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CCC[C@@H](F)C1 689419577 571843412 /nfs/dbraw/zinc/84/34/12/571843412.db2.gz JAJQXOLSFWVBBS-KXUCPTDWSA-N 2 1 188.290 1.404 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CCC[C@H](F)C1 689419573 571843464 /nfs/dbraw/zinc/84/34/64/571843464.db2.gz JAJQXOLSFWVBBS-GUBZILKMSA-N 2 1 188.290 1.404 10 0 ADAEMP C[C@@H]1CC[C@@]1(C[NH3+])[NH2+]CCC1CCC1 687803577 571843707 /nfs/dbraw/zinc/84/37/07/571843707.db2.gz SGQZSNCIUNNETC-PWSUYJOCSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 233910907 571843753 /nfs/dbraw/zinc/84/37/53/571843753.db2.gz INODJSLHROSAJJ-OPRDCNLKSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[NH2+]CCC1CCC1 687803578 571843919 /nfs/dbraw/zinc/84/39/19/571843919.db2.gz SGQZSNCIUNNETC-ZYHUDNBSSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 233915630 571844146 /nfs/dbraw/zinc/84/41/46/571844146.db2.gz 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/nfs/dbraw/zinc/84/60/12/571846012.db2.gz YDQYQKZMBNJAPK-JOAKQRRISA-N 2 1 182.311 1.636 10 0 ADAEMP C/C=C/C[N@H+]1CCC[NH2+][C@H](CC)C1 233914364 571846013 /nfs/dbraw/zinc/84/60/13/571846013.db2.gz YDQYQKZMBNJAPK-JOAKQRRISA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)CC(C)(C)C[NH2+]CC[NH3+] 258829355 571846077 /nfs/dbraw/zinc/84/60/77/571846077.db2.gz VEKHZJLXPNWQIB-UHFFFAOYSA-N 2 1 172.316 1.607 10 0 ADAEMP C[C@@H]1SCC[C@H]1[N@@H+](C)CCC[NH3+] 235365789 571846259 /nfs/dbraw/zinc/84/62/59/571846259.db2.gz QJOBHZYLBIBIGB-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CC(C)([NH3+])CC[N@H+]1CC[C@@H](C2CC2)C1 400364928 571847112 /nfs/dbraw/zinc/84/71/12/571847112.db2.gz ZYEFGTJWXWPZAD-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CCSC[C@H](C)[N@H+](C)[C@H](C)C[NH3+] 687925233 571847432 /nfs/dbraw/zinc/84/74/32/571847432.db2.gz NQYCRHKOYRLPQI-BDAKNGLRSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@H](C)[N@@H+](C)[C@H](C)C[NH3+] 687925233 571847434 /nfs/dbraw/zinc/84/74/34/571847434.db2.gz 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DZQOSRCKHLPIIH-JTQLQIEISA-N 2 1 182.311 1.457 10 0 ADAEMP Cc1cc2[nH]cnc2cc1C[NH3+] 38855324 571861299 /nfs/dbraw/zinc/86/12/99/571861299.db2.gz WZUSJWVIXXXDGI-UHFFFAOYSA-N 2 1 161.208 1.330 10 0 ADAEMP C[NH+](C)C[C@H](N)C1=CCCCC1 234249746 571860592 /nfs/dbraw/zinc/86/05/92/571860592.db2.gz ZTWIUYKVMKUPQC-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+][C@@H](C)CC1 233934727 571860722 /nfs/dbraw/zinc/86/07/22/571860722.db2.gz MONHLGGHBJHBTQ-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C)Cc1ncccc1C[NH3+] 300729215 571860962 /nfs/dbraw/zinc/86/09/62/571860962.db2.gz CWOKYGCNJLXJJW-UHFFFAOYSA-N 2 1 193.294 1.382 10 0 ADAEMP C[NH+](C)C[C@H](N)C1=CCCCCC1 234249770 571861264 /nfs/dbraw/zinc/86/12/64/571861264.db2.gz MOCVVHGHPRZHOI-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+]C[C@@H](C)C1 233934697 571862582 /nfs/dbraw/zinc/86/25/82/571862582.db2.gz XRFGOOSZDFQWLK-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP 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/nfs/dbraw/zinc/86/84/01/571868401.db2.gz APDMJTNBLWJDBM-CMPLNLGQSA-N 2 1 198.354 1.996 10 0 ADAEMP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[NH3+])C1 235389869 571868435 /nfs/dbraw/zinc/86/84/35/571868435.db2.gz RPWKHZYUXRZIGM-GXSJLCMTSA-N 2 1 182.311 1.527 10 0 ADAEMP CC(C)C[C@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 300739010 571868587 /nfs/dbraw/zinc/86/85/87/571868587.db2.gz APDMJTNBLWJDBM-JQWIXIFHSA-N 2 1 198.354 1.996 10 0 ADAEMP CC(C)C[C@@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 300739014 571868929 /nfs/dbraw/zinc/86/89/29/571868929.db2.gz APDMJTNBLWJDBM-ZYHUDNBSSA-N 2 1 198.354 1.996 10 0 ADAEMP CC(C)C[C@@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 300739012 571869312 /nfs/dbraw/zinc/86/93/12/571869312.db2.gz APDMJTNBLWJDBM-PWSUYJOCSA-N 2 1 198.354 1.996 10 0 ADAEMP [NH3+]CC[N@H+](CCC1CCCC1)C1CC1 300747528 571873347 /nfs/dbraw/zinc/87/33/47/571873347.db2.gz JXEHLHHBEPQMEA-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CC[N@@H+](CCC1CCCC1)C1CC1 300747528 571873350 /nfs/dbraw/zinc/87/33/50/571873350.db2.gz JXEHLHHBEPQMEA-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[N@H+]1CCC2(CC2)C1 400452410 571874355 /nfs/dbraw/zinc/87/43/55/571874355.db2.gz NWIDZIKERSEVLI-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP CC[NH2+]CC[NH2+]C[C@@H](C)CSC 300746740 571876311 /nfs/dbraw/zinc/87/63/11/571876311.db2.gz DEPQRCNMODSPAD-SECBINFHSA-N 2 1 190.356 1.185 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2C[C@H]2C1 711059147 571876701 /nfs/dbraw/zinc/87/67/01/571876701.db2.gz JHGBBWHLCWURAV-SDDRHHMPSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H]2C[C@H]2C1 711059147 571876703 /nfs/dbraw/zinc/87/67/03/571876703.db2.gz JHGBBWHLCWURAV-SDDRHHMPSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[N@H+](CC1CC1)[C@H]1CCC[C@H]1NC 249804221 571880277 /nfs/dbraw/zinc/88/02/77/571880277.db2.gz DIEPZTFEISPFPL-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+][C@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[C@@H]32)CC1 711056401 571876787 /nfs/dbraw/zinc/87/67/87/571876787.db2.gz NSDJKNKPELZOFO-KKOKHZNYSA-N 2 1 194.322 1.598 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2C[C@@H]2C1 711059144 571877025 /nfs/dbraw/zinc/87/70/25/571877025.db2.gz JHGBBWHLCWURAV-IJLUTSLNSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2C[C@@H]2C1 711059144 571877030 /nfs/dbraw/zinc/87/70/30/571877030.db2.gz JHGBBWHLCWURAV-IJLUTSLNSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[NH2+]CC[NH2+]C[C@H](C)CSC 300746741 571877228 /nfs/dbraw/zinc/87/72/28/571877228.db2.gz DEPQRCNMODSPAD-VIFPVBQESA-N 2 1 190.356 1.185 10 0 ADAEMP [NH3+][C@H]1CC[C@H](C[N@H+]2CC[C@H]3C[C@H]32)CC1 711056390 571877859 /nfs/dbraw/zinc/87/78/59/571877859.db2.gz NSDJKNKPELZOFO-FIQHERPVSA-N 2 1 194.322 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@@H]1CCCC[NH2+]1 2555263 571878136 /nfs/dbraw/zinc/87/81/36/571878136.db2.gz BILVABRULMFJNP-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)C1 233940618 571878418 /nfs/dbraw/zinc/87/84/18/571878418.db2.gz PHOHVAMRRIVPHW-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[N@H+](CC1CC1)[C@@H]1CCC[C@H]1NC 249804222 571879275 /nfs/dbraw/zinc/87/92/75/571879275.db2.gz DIEPZTFEISPFPL-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CCC[C@H]1NC 249804222 571879278 /nfs/dbraw/zinc/87/92/78/571879278.db2.gz DIEPZTFEISPFPL-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CCC[C@H]1NC 249804221 571880279 /nfs/dbraw/zinc/88/02/79/571880279.db2.gz DIEPZTFEISPFPL-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CCSC[C@H](C)[NH2+][C@H](C)C[NH3+] 300026547 571881651 /nfs/dbraw/zinc/88/16/51/571881651.db2.gz ZCYZIKDJTPQMBL-SFYZADRCSA-N 2 1 176.329 1.065 10 0 ADAEMP C[C@@H]1C[C@@H](n2cc[nH+]c2N)CC[N@H+]1C 235401453 571880770 /nfs/dbraw/zinc/88/07/70/571880770.db2.gz VQPHODWFQRBJJK-BDAKNGLRSA-N 2 1 194.282 1.121 10 0 ADAEMP C[NH2+]CC[NH2+]CC12CCC(CC1)C2 711068704 571881542 /nfs/dbraw/zinc/88/15/42/571881542.db2.gz ADQWHNBMTHONLO-UHFFFAOYSA-N 2 1 182.311 1.376 10 0 ADAEMP CCSC[C@H](C)[NH2+][C@@H](C)C[NH3+] 300026548 571883776 /nfs/dbraw/zinc/88/37/76/571883776.db2.gz ZCYZIKDJTPQMBL-YUMQZZPRSA-N 2 1 176.329 1.065 10 0 ADAEMP C[N@H+]1CC[C@H]2C[C@@H]([NH3+])CC[C@@H]2C1 39082564 571884109 /nfs/dbraw/zinc/88/41/09/571884109.db2.gz BGJRLHJTBVTVFA-AEJSXWLSSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 229729164 571884327 /nfs/dbraw/zinc/88/43/27/571884327.db2.gz YYRNDOAIHKLOAL-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP CSCCC[N@@H+](C)[C@H](C)CC[NH3+] 300756461 571884769 /nfs/dbraw/zinc/88/47/69/571884769.db2.gz KBNHBGWMGHBYDC-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2(C[NH3+])CC2)C1 233949632 571887063 /nfs/dbraw/zinc/88/70/63/571887063.db2.gz RQEZTJPPBDXSGW-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CSCCC[N@@H+](C)[C@@H](C)CC[NH3+] 300756462 571886437 /nfs/dbraw/zinc/88/64/37/571886437.db2.gz KBNHBGWMGHBYDC-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CCCCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300045167 571887025 /nfs/dbraw/zinc/88/70/25/571887025.db2.gz YYMUYBOMIAKJSM-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]3CCC[NH2+][C@H]3C2)C1 300048276 571888252 /nfs/dbraw/zinc/88/82/52/571888252.db2.gz ISLNBKLNOBANGE-ADPBJBESSA-N 2 1 194.322 1.469 10 0 ADAEMP CSCCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300049134 571888883 /nfs/dbraw/zinc/88/88/83/571888883.db2.gz PTFCWWGSAPGRDQ-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300049134 571888887 /nfs/dbraw/zinc/88/88/87/571888887.db2.gz PTFCWWGSAPGRDQ-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)[C@H]1C[N@H+]2CCC[C@H]2[C@H]1[NH3+] 39104261 571889268 /nfs/dbraw/zinc/88/92/68/571889268.db2.gz NCTGJQCEKGJWIA-UTLUCORTSA-N 2 1 168.284 1.064 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@H+]1CC[C@@H]2C[C@@H]2C1 711080078 571889314 /nfs/dbraw/zinc/88/93/14/571889314.db2.gz FFXMGIMPFJRMCU-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CC[C@H](C2CC2)C1 400336512 571889584 /nfs/dbraw/zinc/88/95/84/571889584.db2.gz LSHBZVFIPTYJPC-JQWIXIFHSA-N 2 1 196.338 1.574 10 0 ADAEMP CC1CC([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 300048277 571889941 /nfs/dbraw/zinc/88/99/41/571889941.db2.gz ISLNBKLNOBANGE-RSJDFQLWSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@H+]1CC[C@H]2C[C@H]2C1 711080084 571890011 /nfs/dbraw/zinc/89/00/11/571890011.db2.gz FFXMGIMPFJRMCU-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP c1c[nH+]c(N[C@H]2CC[N@H+]3CCC[C@H]23)[nH]1 300050904 571890599 /nfs/dbraw/zinc/89/05/99/571890599.db2.gz RAIKJXNVVKUCBU-DTWKUNHWSA-N 2 1 192.266 1.058 10 0 ADAEMP c1c[nH+]c(N[C@@H]2CC[N@H+]3CCC[C@H]23)[nH]1 300050905 571890669 /nfs/dbraw/zinc/89/06/69/571890669.db2.gz RAIKJXNVVKUCBU-RKDXNWHRSA-N 2 1 192.266 1.058 10 0 ADAEMP CSCCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049135 571891144 /nfs/dbraw/zinc/89/11/44/571891144.db2.gz PTFCWWGSAPGRDQ-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300049135 571891145 /nfs/dbraw/zinc/89/11/45/571891145.db2.gz PTFCWWGSAPGRDQ-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCCC[N@@H+](C)C1CC([NH3+])C1 300761984 571891651 /nfs/dbraw/zinc/89/16/51/571891651.db2.gz MXJKVQCDJCGQRV-UHFFFAOYSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1[nH]cc[nH+]1 300056063 571891711 /nfs/dbraw/zinc/89/17/11/571891711.db2.gz KBXOXXJGOPETFA-DTWKUNHWSA-N 2 1 194.282 1.162 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1[nH]cc[nH+]1 300056064 571891818 /nfs/dbraw/zinc/89/18/18/571891818.db2.gz KBXOXXJGOPETFA-RKDXNWHRSA-N 2 1 194.282 1.162 10 0 ADAEMP COC[C@@H](CCC[NH3+])[N@@H+](C)C(C)C 234691207 571893405 /nfs/dbraw/zinc/89/34/05/571893405.db2.gz IDQNUTHCXJSTOT-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]CC12CCC(CC1)C2 711094812 571893590 /nfs/dbraw/zinc/89/35/90/571893590.db2.gz FROKSRLCXFLMAE-MOENNCHZSA-N 2 1 196.338 1.894 10 0 ADAEMP C[N@H+]1CC[C@H]2C[C@@H]([NH3+])CC[C@H]2C1 39082590 571894303 /nfs/dbraw/zinc/89/43/03/571894303.db2.gz BGJRLHJTBVTVFA-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[N@@H+](C)CCc1c[nH]cn1 39082423 571894619 /nfs/dbraw/zinc/89/46/19/571894619.db2.gz NXYSHDOQGYUPCO-UHFFFAOYSA-N 2 1 167.256 1.294 10 0 ADAEMP CCN[C@H](C)[C@@H](F)[C@H]1CCCC[NH2+]1 300057361 571895117 /nfs/dbraw/zinc/89/51/17/571895117.db2.gz OVVXZABPZOJSGF-OPRDCNLKSA-N 2 1 188.290 1.465 10 0 ADAEMP CCN[C@H](C)[C@H](F)[C@H]1CCCC[NH2+]1 300057360 571895457 /nfs/dbraw/zinc/89/54/57/571895457.db2.gz OVVXZABPZOJSGF-BBBLOLIVSA-N 2 1 188.290 1.465 10 0 ADAEMP C[N@H+]1C[C@H]2C[NH+](CC(C)(C)C)C[C@H]2C1 145257835 571895458 /nfs/dbraw/zinc/89/54/58/571895458.db2.gz CXFSWRALUYTZAV-PHIMTYICSA-N 2 1 196.338 1.526 10 0 ADAEMP C[NH+]1C[C@H]2C[N@H+](CC(C)(C)C)C[C@H]2C1 145257835 571895464 /nfs/dbraw/zinc/89/54/64/571895464.db2.gz CXFSWRALUYTZAV-PHIMTYICSA-N 2 1 196.338 1.526 10 0 ADAEMP C[NH+]1C[C@H]2C[N@@H+](CC(C)(C)C)C[C@H]2C1 145257835 571895468 /nfs/dbraw/zinc/89/54/68/571895468.db2.gz CXFSWRALUYTZAV-PHIMTYICSA-N 2 1 196.338 1.526 10 0 ADAEMP CC(C)(C)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 145256235 571895667 /nfs/dbraw/zinc/89/56/67/571895667.db2.gz PPIHQVPMFZCDHD-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)(C)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 145256235 571895671 /nfs/dbraw/zinc/89/56/71/571895671.db2.gz PPIHQVPMFZCDHD-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H]([NH3+])CCC[N@H+]1CCC[C@H]1C 300061711 571896644 /nfs/dbraw/zinc/89/66/44/571896644.db2.gz OZGBHERTLOWDSR-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H]([NH3+])CCC[N@H+]1CCC[C@H]1C 300061710 571896670 /nfs/dbraw/zinc/89/66/70/571896670.db2.gz OZGBHERTLOWDSR-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H]([NH3+])CCC[N@H+]1CC[C@H](C)C1 300060988 571896775 /nfs/dbraw/zinc/89/67/75/571896775.db2.gz JJIKRDPQAZJUMK-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CSCCC[N@@H+](C)CC[C@@H](C)[NH3+] 300763105 571897092 /nfs/dbraw/zinc/89/70/92/571897092.db2.gz NHWPUKYJPMMEHP-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP CC(C)CC[N@H+](C)C1(C[NH3+])CC1 300061133 571897395 /nfs/dbraw/zinc/89/73/95/571897395.db2.gz HSTZOQIOKQDHRN-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)CC[N@@H+](C)C1(C[NH3+])CC1 300061133 571897399 /nfs/dbraw/zinc/89/73/99/571897399.db2.gz HSTZOQIOKQDHRN-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1[C@@H](C)CC[NH3+] 32007778 571897990 /nfs/dbraw/zinc/89/79/90/571897990.db2.gz RBNNQQQSRAJOPW-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CSCCC[N@@H+](C)CC[C@H](C)[NH3+] 300763106 571898529 /nfs/dbraw/zinc/89/85/29/571898529.db2.gz NHWPUKYJPMMEHP-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1[C@@H](C)CC[NH3+] 32007780 571898840 /nfs/dbraw/zinc/89/88/40/571898840.db2.gz RBNNQQQSRAJOPW-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP Cc1[nH]c([C@@H]2CCC[NH2+]C2)c(C)[nH+]1 39132673 571899102 /nfs/dbraw/zinc/89/91/02/571899102.db2.gz VQTWEZMZOWDHQF-SECBINFHSA-N 2 1 179.267 1.494 10 0 ADAEMP [NH3+][C@@H]1CC[C@H](c2[nH]cc[nH+]2)C1 39132562 571899114 /nfs/dbraw/zinc/89/91/14/571899114.db2.gz QLNRXLKKRLCVAH-NKWVEPMBSA-N 2 1 151.213 1.005 10 0 ADAEMP CSC[C@@H](C)C[NH2+]C(C)(C)C[NH3+] 393337294 571899196 /nfs/dbraw/zinc/89/91/96/571899196.db2.gz KOSXHWYJCIMPDJ-QMMMGPOBSA-N 2 1 190.356 1.312 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]CC1(C)CC1 393337337 571899804 /nfs/dbraw/zinc/89/98/04/571899804.db2.gz LCYPYLJDTOPMQB-VIFPVBQESA-N 2 1 170.300 1.359 10 0 ADAEMP CCCOCCC[N@H+](C)[C@H](C)C[NH3+] 711108818 571900441 /nfs/dbraw/zinc/90/04/41/571900441.db2.gz XFMKEAOQXCVIGY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCCOCCC[N@@H+](C)[C@H](C)C[NH3+] 711108818 571900442 /nfs/dbraw/zinc/90/04/42/571900442.db2.gz XFMKEAOQXCVIGY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]CC1(C)CC1 393337336 571900177 /nfs/dbraw/zinc/90/01/77/571900177.db2.gz LCYPYLJDTOPMQB-SECBINFHSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@](C[NH3+])(CC1CCC1)[NH+]1CCC1 219617971 571900331 /nfs/dbraw/zinc/90/03/31/571900331.db2.gz MOBKFINGTBGJDG-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP Cc1c[nH]c([C@H]2CC[C@H]([NH3+])C2)[nH+]1 39132667 571900378 /nfs/dbraw/zinc/90/03/78/571900378.db2.gz YQIIXUZZWGAHCU-YUMQZZPRSA-N 2 1 165.240 1.313 10 0 ADAEMP Cc1c[nH]c([C@H]2CC[C@@H]([NH3+])C2)[nH+]1 39132669 571900388 /nfs/dbraw/zinc/90/03/88/571900388.db2.gz YQIIXUZZWGAHCU-JGVFFNPUSA-N 2 1 165.240 1.313 10 0 ADAEMP C[C@H]([NH3+])[C@@H]([NH3+])C1=CCCCC1 39135471 571900410 /nfs/dbraw/zinc/90/04/10/571900410.db2.gz WZJNVKKBCMAXMV-IONNQARKSA-N 2 1 154.257 1.161 10 0 ADAEMP Cc1c[nH]c([C@@H]2CC[C@@H]([NH3+])C2)[nH+]1 39132668 571900417 /nfs/dbraw/zinc/90/04/17/571900417.db2.gz YQIIXUZZWGAHCU-HTQZYQBOSA-N 2 1 165.240 1.313 10 0 ADAEMP [NH3+][C@H]1CC[C@H](c2[nH]cc[nH+]2)C1 39132560 571900825 /nfs/dbraw/zinc/90/08/25/571900825.db2.gz QLNRXLKKRLCVAH-BQBZGAKWSA-N 2 1 151.213 1.005 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]([NH3+])C1=CCCCC1 39135472 571901011 /nfs/dbraw/zinc/90/10/11/571901011.db2.gz WZJNVKKBCMAXMV-VXNVDRBHSA-N 2 1 154.257 1.161 10 0 ADAEMP [NH3+][C@H]1CC[C@@H](c2[nH]cc[nH+]2)C1 39132559 571901107 /nfs/dbraw/zinc/90/11/07/571901107.db2.gz QLNRXLKKRLCVAH-RQJHMYQMSA-N 2 1 151.213 1.005 10 0 ADAEMP C[C@@H]([NH3+])[C@H]([NH3+])C1=CCCCC1 39135470 571901131 /nfs/dbraw/zinc/90/11/31/571901131.db2.gz WZJNVKKBCMAXMV-APPZFPTMSA-N 2 1 154.257 1.161 10 0 ADAEMP Cc1c[nH]c([C@@H]2CC[C@H]([NH3+])C2)[nH+]1 39132666 571901148 /nfs/dbraw/zinc/90/11/48/571901148.db2.gz YQIIXUZZWGAHCU-SFYZADRCSA-N 2 1 165.240 1.313 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H](c2[nH]cc[nH+]2)C1 39132561 571901164 /nfs/dbraw/zinc/90/11/64/571901164.db2.gz QLNRXLKKRLCVAH-RNFRBKRXSA-N 2 1 151.213 1.005 10 0 ADAEMP Cc1[nH]c([C@H]2CCC[NH2+]C2)c(C)[nH+]1 39132674 571901183 /nfs/dbraw/zinc/90/11/83/571901183.db2.gz VQTWEZMZOWDHQF-VIFPVBQESA-N 2 1 179.267 1.494 10 0 ADAEMP CCCOCCC[N@H+](C)[C@@H](C)C[NH3+] 711108815 571901511 /nfs/dbraw/zinc/90/15/11/571901511.db2.gz XFMKEAOQXCVIGY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCOCCC[N@@H+](C)[C@@H](C)C[NH3+] 711108815 571901514 /nfs/dbraw/zinc/90/15/14/571901514.db2.gz XFMKEAOQXCVIGY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CSC[C@H](C)C[NH2+]C(C)(C)C[NH3+] 393337293 571901557 /nfs/dbraw/zinc/90/15/57/571901557.db2.gz KOSXHWYJCIMPDJ-MRVPVSSYSA-N 2 1 190.356 1.312 10 0 ADAEMP CCCC[C@@H](CC)[N@@H+]1CC[C@H]([NH3+])C1 68988964 571903469 /nfs/dbraw/zinc/90/34/69/571903469.db2.gz QCCPPARPYKEDMX-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[C@@H](CC)[N@H+]1CC[C@H]([NH3+])C1 68988964 571903473 /nfs/dbraw/zinc/90/34/73/571903473.db2.gz QCCPPARPYKEDMX-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1C[C@H](Nc2[nH]cc[nH+]2)CC[N@H+]1C 235420620 571901675 /nfs/dbraw/zinc/90/16/75/571901675.db2.gz YDVQGQQZIPLBKG-RKDXNWHRSA-N 2 1 194.282 1.304 10 0 ADAEMP C[C@H]([NH3+])[C@H]([NH3+])C1=CCCCC1 39135469 571901704 /nfs/dbraw/zinc/90/17/04/571901704.db2.gz WZJNVKKBCMAXMV-CBAPKCEASA-N 2 1 154.257 1.161 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+]1C[C@H]2CC[C@H]2C1)C1CC1 711129926 571902675 /nfs/dbraw/zinc/90/26/75/571902675.db2.gz QVDHODVOPKWISU-TUAOUCFPSA-N 2 1 194.322 1.326 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]([NH3+])C(C)C 39141120 571902989 /nfs/dbraw/zinc/90/29/89/571902989.db2.gz NXRIMDITIISSKC-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP C[N@@H+](CCC(N)=[NH2+])C1CCCCC1 39170056 571905261 /nfs/dbraw/zinc/90/52/61/571905261.db2.gz LPVPSANIBZUSFA-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP CSCCC[N@H+](C)C[C@H](C)[NH3+] 300767956 571906464 /nfs/dbraw/zinc/90/64/64/571906464.db2.gz PEIMSWGKGAAXEJ-QMMMGPOBSA-N 2 1 176.329 1.019 10 0 ADAEMP CSCCC[N@@H+](C)C[C@H](C)[NH3+] 300767956 571906466 /nfs/dbraw/zinc/90/64/66/571906466.db2.gz PEIMSWGKGAAXEJ-QMMMGPOBSA-N 2 1 176.329 1.019 10 0 ADAEMP C[C@H](CC(F)(F)F)[NH2+]CC1([NH3+])CC1 235445635 571908767 /nfs/dbraw/zinc/90/87/67/571908767.db2.gz IHRIIMXZQLJGGF-ZCFIWIBFSA-N 2 1 196.216 1.408 10 0 ADAEMP CSCCC[N@H+](C)C[C@@H](C)[NH3+] 300767953 571907033 /nfs/dbraw/zinc/90/70/33/571907033.db2.gz PEIMSWGKGAAXEJ-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP CSCCC[N@@H+](C)C[C@@H](C)[NH3+] 300767953 571907037 /nfs/dbraw/zinc/90/70/37/571907037.db2.gz PEIMSWGKGAAXEJ-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP C[NH2+]CCN(C)c1[nH+]ccn1C(C)C 234375160 571907465 /nfs/dbraw/zinc/90/74/65/571907465.db2.gz XCWYTHCQIDNLNQ-UHFFFAOYSA-N 2 1 196.298 1.120 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]1C 167479217 571908218 /nfs/dbraw/zinc/90/82/18/571908218.db2.gz UVBJIOLRHDEFEW-IVZWLZJFSA-N 2 1 170.300 1.359 10 0 ADAEMP CSCCC[N@@H+](C)C(C)(C)C[NH3+] 300770171 571908588 /nfs/dbraw/zinc/90/85/88/571908588.db2.gz QBSBPPKYRGVOMT-UHFFFAOYSA-N 2 1 190.356 1.409 10 0 ADAEMP C[C@H](CC(F)(F)F)[NH2+]CC(C)(C)[NH3+] 235445216 571908607 /nfs/dbraw/zinc/90/86/07/571908607.db2.gz IHAPUDVCYRQXGO-ZCFIWIBFSA-N 2 1 198.232 1.654 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C/C=C/Cl)C1 234377439 571909622 /nfs/dbraw/zinc/90/96/22/571909622.db2.gz XFVYSBLXISRZIL-LXOKAJLYSA-N 2 1 188.702 1.280 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)CC=C(C)C 234377512 571910514 /nfs/dbraw/zinc/91/05/14/571910514.db2.gz LLJAQKJAYSFSGV-NSHDSACASA-N 2 1 184.327 1.740 10 0 ADAEMP C[C@@H](C[NH2+][C@H](C)C[NH3+])c1nccs1 235453779 571911397 /nfs/dbraw/zinc/91/13/97/571911397.db2.gz CHPWEANMSANVLW-JGVFFNPUSA-N 2 1 199.323 1.183 10 0 ADAEMP C[N@@H+](Cc1ncccc1C[NH3+])C1CC1 300769562 571911457 /nfs/dbraw/zinc/91/14/57/571911457.db2.gz PMQOQEYPWLMIAX-UHFFFAOYSA-N 2 1 191.278 1.135 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]C[C@@H](C)c1nccs1 235452840 571911908 /nfs/dbraw/zinc/91/19/08/571911908.db2.gz CHPWEANMSANVLW-HTQZYQBOSA-N 2 1 199.323 1.183 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CC1(C2CC2)CC1 235450183 571912300 /nfs/dbraw/zinc/91/23/00/571912300.db2.gz ZCPCYGLAMJOTRE-MRVPVSSYSA-N 2 1 168.284 1.113 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)CCC1CC1 234377601 571912381 /nfs/dbraw/zinc/91/23/81/571912381.db2.gz OAOFDGKHEHOZAA-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H](C[NH2+]C1(C[NH3+])CC1)C1CC1 235450252 571912497 /nfs/dbraw/zinc/91/24/97/571912497.db2.gz IQMIPFUVNCIFPA-MRVPVSSYSA-N 2 1 168.284 1.113 10 0 ADAEMP C[NH2+]CC/C=C/[C@@H]1CCC[N@H+]1C 687678947 571912908 /nfs/dbraw/zinc/91/29/08/571912908.db2.gz FXMZNNTYHDSSTK-QLCVYAKKSA-N 2 1 168.284 1.246 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1/C=C/C[NH3+] 687679035 571912842 /nfs/dbraw/zinc/91/28/42/571912842.db2.gz JKLKTKMAZGWRNS-BREXMAIKSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C/C=C/C[NH3+] 687679041 571912892 /nfs/dbraw/zinc/91/28/92/571912892.db2.gz SISRKTBPUWYLCY-FSIBCCDJSA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH2+]CC/C=C/[C@H]1CCC[N@H+]1C 687678948 571912940 /nfs/dbraw/zinc/91/29/40/571912940.db2.gz FXMZNNTYHDSSTK-YVGDHZEHSA-N 2 1 168.284 1.246 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1/C=C/C[NH3+] 687679038 571913091 /nfs/dbraw/zinc/91/30/91/571913091.db2.gz OTZMQESGALTIMD-RXNUUUNCSA-N 2 1 168.284 1.374 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C/C=C/CC[NH3+] 687678862 571913106 /nfs/dbraw/zinc/91/31/06/571913106.db2.gz SFOQALIQZDKQMH-PBKGFPTLSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[N@H+]1CCC[C@H]1/C=C/C[NH2+]C 687679033 571913318 /nfs/dbraw/zinc/91/33/18/571913318.db2.gz HPOBGGCXDAWSLV-DFVUYQKZSA-N 2 1 168.284 1.246 10 0 ADAEMP C[N@H+]1CCC[C@@H](/C=C/CC[NH3+])C1 687678944 571913371 /nfs/dbraw/zinc/91/33/71/571913371.db2.gz DVBOHWIQUWWGKK-JYBNPQIESA-N 2 1 168.284 1.233 10 0 ADAEMP C[NH2+]C/C=C/C[C@@H]1CC[N@@H+](C)C1 687679104 571913408 /nfs/dbraw/zinc/91/34/08/571913408.db2.gz KWNJJOOJJLBPMR-HMDXOVGESA-N 2 1 168.284 1.104 10 0 ADAEMP CC[N@H+]1CCC[C@@H](/C=C/C[NH3+])C1 687679040 571913459 /nfs/dbraw/zinc/91/34/59/571913459.db2.gz QXBHUQMQSUGEGR-RXNUUUNCSA-N 2 1 168.284 1.233 10 0 ADAEMP C[N@H+]1CCCC[C@H]1/C=C/CC[NH3+] 687678952 571913726 /nfs/dbraw/zinc/91/37/26/571913726.db2.gz OPIPEQPPRYDKDH-GCEAOBNSSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](/C=C/C[NH3+])C1 687679105 571913788 /nfs/dbraw/zinc/91/37/88/571913788.db2.gz OICBCBCGBCBSTK-FSIBCCDJSA-N 2 1 168.284 1.232 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CCCCC(F)(F)F 235450666 571913843 /nfs/dbraw/zinc/91/38/43/571913843.db2.gz CMTKMDFBIMZBTO-SSDOTTSWSA-N 2 1 198.232 1.656 10 0 ADAEMP C[NH2+]C/C=C/C[C@H]1CCC[N@H+]1C 687679031 571913922 /nfs/dbraw/zinc/91/39/22/571913922.db2.gz BYSUHEFNWUHIQO-FSIBCCDJSA-N 2 1 168.284 1.246 10 0 ADAEMP CC[N@H+]1CC[C@@H](/C=C/C[NH2+]C)C1 687679107 571914085 /nfs/dbraw/zinc/91/40/85/571914085.db2.gz ORFUTILFDZGGOW-ORAHPGNNSA-N 2 1 168.284 1.104 10 0 ADAEMP C[N@H+]1CCC[C@@H](C/C=C/C[NH3+])C1 687679071 571914158 /nfs/dbraw/zinc/91/41/58/571914158.db2.gz VVHVJACEOBXPJO-VMZHVLLKSA-N 2 1 168.284 1.233 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1/C=C/CC[NH3+] 687678953 571914187 /nfs/dbraw/zinc/91/41/87/571914187.db2.gz OPIPEQPPRYDKDH-LFKJVQOCSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C/C=C/C[NH3+] 687679044 571914235 /nfs/dbraw/zinc/91/42/35/571914235.db2.gz TYZFSGHBRYPCJP-YWNRKNDBSA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH2+]C/C=C/[C@H]1CCCC[N@H+]1C 687679045 571914406 /nfs/dbraw/zinc/91/44/06/571914406.db2.gz ZVGPEOKWIGMWEB-BREXMAIKSA-N 2 1 168.284 1.246 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CCC1=CCCCC1 235450507 571914432 /nfs/dbraw/zinc/91/44/32/571914432.db2.gz AGRKIJKDYITEQB-SNVBAGLBSA-N 2 1 182.311 1.814 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1/C=C/C[NH3+] 687679036 571914515 /nfs/dbraw/zinc/91/45/15/571914515.db2.gz JKLKTKMAZGWRNS-STUBTGCMSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CCC[C@H]1C/C=C/CC[NH3+] 687678863 571914677 /nfs/dbraw/zinc/91/46/77/571914677.db2.gz SFOQALIQZDKQMH-VMZHVLLKSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C/C=C/C[NH3+] 687679042 571914766 /nfs/dbraw/zinc/91/47/66/571914766.db2.gz SISRKTBPUWYLCY-HMDXOVGESA-N 2 1 168.284 1.376 10 0 ADAEMP Cc1cnc(C[NH2+]C[C@H](C)C[NH3+])s1 235462086 571914907 /nfs/dbraw/zinc/91/49/07/571914907.db2.gz FYLINXFCTTWFIY-SSDOTTSWSA-N 2 1 199.323 1.136 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](/C=C/C[NH3+])C1 687679106 571914932 /nfs/dbraw/zinc/91/49/32/571914932.db2.gz OICBCBCGBCBSTK-HMDXOVGESA-N 2 1 168.284 1.232 10 0 ADAEMP CC[N@H+]1CC[C@H](/C=C/C[NH2+]C)C1 687679108 571915169 /nfs/dbraw/zinc/91/51/69/571915169.db2.gz ORFUTILFDZGGOW-YEZKRMTDSA-N 2 1 168.284 1.104 10 0 ADAEMP C[N@H+]1CCC[C@H](C/C=C/C[NH3+])C1 687679070 571915181 /nfs/dbraw/zinc/91/51/81/571915181.db2.gz VVHVJACEOBXPJO-PBKGFPTLSA-N 2 1 168.284 1.233 10 0 ADAEMP CC[N@H+]1CCC[C@H](/C=C/C[NH3+])C1 687679039 571915193 /nfs/dbraw/zinc/91/51/93/571915193.db2.gz QXBHUQMQSUGEGR-GFAPAMAISA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@@H](CC(F)(F)F)[NH2+][C@H](C)CN 235458484 571915212 /nfs/dbraw/zinc/91/52/12/571915212.db2.gz HFLITORBTABPJZ-NTSWFWBYSA-N 2 1 184.205 1.264 10 0 ADAEMP C[C@@H](CC(F)(F)F)[NH2+][C@H](C)C[NH3+] 235458484 571915213 /nfs/dbraw/zinc/91/52/13/571915213.db2.gz HFLITORBTABPJZ-NTSWFWBYSA-N 2 1 184.205 1.264 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1/C=C/C[NH2+]C 687679034 571915216 /nfs/dbraw/zinc/91/52/16/571915216.db2.gz HPOBGGCXDAWSLV-RWCYGVJQSA-N 2 1 168.284 1.246 10 0 ADAEMP C[NH2+]C/C=C/[C@@H]1CCCC[N@H+]1C 687679046 571915221 /nfs/dbraw/zinc/91/52/21/571915221.db2.gz ZVGPEOKWIGMWEB-STUBTGCMSA-N 2 1 168.284 1.246 10 0 ADAEMP C/C=C/C[N@H+](C)C[C@@H](C)C[NH2+]C 234378965 571915239 /nfs/dbraw/zinc/91/52/39/571915239.db2.gz XLUGSIZEBKZHEL-PORFMDCZSA-N 2 1 170.300 1.350 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C/C=C/C[NH3+] 687679043 571915291 /nfs/dbraw/zinc/91/52/91/571915291.db2.gz TYZFSGHBRYPCJP-XCRNYIDWSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CCC[C@H](/C=C/CC[NH3+])C1 687678943 571915399 /nfs/dbraw/zinc/91/53/99/571915399.db2.gz DVBOHWIQUWWGKK-FWYAXHSGSA-N 2 1 168.284 1.233 10 0 ADAEMP C[NH2+]C/C=C/C[C@@H]1CCC[N@H+]1C 687679032 571915499 /nfs/dbraw/zinc/91/54/99/571915499.db2.gz BYSUHEFNWUHIQO-HMDXOVGESA-N 2 1 168.284 1.246 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1/C=C/C[NH3+] 687679037 571915548 /nfs/dbraw/zinc/91/55/48/571915548.db2.gz OTZMQESGALTIMD-GFAPAMAISA-N 2 1 168.284 1.374 10 0 ADAEMP C[NH2+]C/C=C/C[C@H]1CC[N@@H+](C)C1 687679103 571915566 /nfs/dbraw/zinc/91/55/66/571915566.db2.gz KWNJJOOJJLBPMR-FSIBCCDJSA-N 2 1 168.284 1.104 10 0 ADAEMP C[C@H](CN)[NH2+][C@H](C)CC(F)(F)F 235461324 571915744 /nfs/dbraw/zinc/91/57/44/571915744.db2.gz HFLITORBTABPJZ-PHDIDXHHSA-N 2 1 184.205 1.264 10 0 ADAEMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(F)(F)F 235461324 571915745 /nfs/dbraw/zinc/91/57/45/571915745.db2.gz HFLITORBTABPJZ-PHDIDXHHSA-N 2 1 184.205 1.264 10 0 ADAEMP C[C@@H](Cc1ccco1)N[C@H](C)C[NH3+] 235458854 571916156 /nfs/dbraw/zinc/91/61/56/571916156.db2.gz ZSSODRAEMQCVAY-DTWKUNHWSA-N 2 1 182.267 1.147 10 0 ADAEMP C[C@@H](Cc1ccco1)[NH2+][C@H](C)C[NH3+] 235458854 571916159 /nfs/dbraw/zinc/91/61/59/571916159.db2.gz ZSSODRAEMQCVAY-DTWKUNHWSA-N 2 1 182.267 1.147 10 0 ADAEMP C[NH2+]CC[NH2+]CC(C)(C)C(C)C 234381309 571916982 /nfs/dbraw/zinc/91/69/82/571916982.db2.gz CTTJPHUJUVCYRC-UHFFFAOYSA-N 2 1 172.316 1.478 10 0 ADAEMP CSCCC[N@@H+](C)[C@H](C)CN 300772701 571917279 /nfs/dbraw/zinc/91/72/79/571917279.db2.gz QXQZQILKPRZARB-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP CSCCC[N@H+](C)[C@H](C)C[NH3+] 300772701 571917280 /nfs/dbraw/zinc/91/72/80/571917280.db2.gz QXQZQILKPRZARB-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP CSCCC[N@@H+](C)[C@H](C)C[NH3+] 300772701 571917284 /nfs/dbraw/zinc/91/72/84/571917284.db2.gz QXQZQILKPRZARB-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP CSCCC[N@H+](C)CC1([NH3+])CC1 300773551 571917345 /nfs/dbraw/zinc/91/73/45/571917345.db2.gz RHCMELLBIYSBSW-UHFFFAOYSA-N 2 1 188.340 1.163 10 0 ADAEMP C[C@H](C[NH3+])N[C@H](C)Cc1ccco1 235461727 571917463 /nfs/dbraw/zinc/91/74/63/571917463.db2.gz ZSSODRAEMQCVAY-RKDXNWHRSA-N 2 1 182.267 1.147 10 0 ADAEMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccco1 235461727 571917466 /nfs/dbraw/zinc/91/74/66/571917466.db2.gz ZSSODRAEMQCVAY-RKDXNWHRSA-N 2 1 182.267 1.147 10 0 ADAEMP C[C@H](C[NH3+])N[C@H]1C[C@@H]1c1ccccc1 235464010 571917584 /nfs/dbraw/zinc/91/75/84/571917584.db2.gz SFLQEGHFCIBWMQ-JLLWLGSASA-N 2 1 190.290 1.479 10 0 ADAEMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H]1c1ccccc1 235464010 571917586 /nfs/dbraw/zinc/91/75/86/571917586.db2.gz SFLQEGHFCIBWMQ-JLLWLGSASA-N 2 1 190.290 1.479 10 0 ADAEMP C[C@H](C[NH3+])N[C@@H]1C[C@@H]1c1ccccc1 235460819 571917797 /nfs/dbraw/zinc/91/77/97/571917797.db2.gz SFLQEGHFCIBWMQ-YUSALJHKSA-N 2 1 190.290 1.479 10 0 ADAEMP 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571944731 /nfs/dbraw/zinc/94/47/31/571944731.db2.gz MDTUCSLZJMFNAC-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@]([NH3+])(c1c[nH+]ccc1N)C(C)C 687685768 571944786 /nfs/dbraw/zinc/94/47/86/571944786.db2.gz NAACBVCIHKZGAM-LLVKDONJSA-N 2 1 193.294 1.714 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H]2CCCCC[C@@H]21 687907138 571944966 /nfs/dbraw/zinc/94/49/66/571944966.db2.gz PUSYVDWMUNUKTB-YFKTTZPYSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1C[C@@H]2CCCCC[C@H]21 687905072 571945147 /nfs/dbraw/zinc/94/51/47/571945147.db2.gz CDMVQGZUTQBBOM-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1C[C@H]2CCCCC[C@@H]21 687905074 571945171 /nfs/dbraw/zinc/94/51/71/571945171.db2.gz CDMVQGZUTQBBOM-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[NH2+][C@H](C)[C@](C)([NH3+])c1ccccc1 687686567 571948920 /nfs/dbraw/zinc/94/89/20/571948920.db2.gz IVGKTBIYCRAJRL-PWSUYJOCSA-N 2 1 192.306 1.859 10 0 ADAEMP CC(C)[C@@](C)([NH3+])c1c[nH+]ccc1N 687685800 571945204 /nfs/dbraw/zinc/94/52/04/571945204.db2.gz OUSWKXQMGFQPFF-SNVBAGLBSA-N 2 1 179.267 1.324 10 0 ADAEMP C[N@H+](CCC(N)=[NH2+])CCC1CCCC1 300809400 571945427 /nfs/dbraw/zinc/94/54/27/571945427.db2.gz XAONCIQBTAAYCO-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1C[C@H]2CCCCC[C@H]21 687905073 571945455 /nfs/dbraw/zinc/94/54/55/571945455.db2.gz CDMVQGZUTQBBOM-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C/C=C(/C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 687750040 571945572 /nfs/dbraw/zinc/94/55/72/571945572.db2.gz HCELRPINCRYDCS-ZVQHSTOPSA-N 2 1 194.322 1.907 10 0 ADAEMP CC(C)[C@](C)([NH3+])c1c[nH+]ccc1N 687685799 571945754 /nfs/dbraw/zinc/94/57/54/571945754.db2.gz OUSWKXQMGFQPFF-JTQLQIEISA-N 2 1 179.267 1.324 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1C[C@@H]2CCCCC[C@@H]21 687905075 571945879 /nfs/dbraw/zinc/94/58/79/571945879.db2.gz CDMVQGZUTQBBOM-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH+]cc(C2=CC[C@H]([NH3+])CC2)n1C 687686687 571946068 /nfs/dbraw/zinc/94/60/68/571946068.db2.gz QGPUMXDDEMULME-JTQLQIEISA-N 2 1 191.278 1.623 10 0 ADAEMP CC[NH2+][C@@H](C)[C@](C)([NH3+])c1ccccc1 687686566 571946322 /nfs/dbraw/zinc/94/63/22/571946322.db2.gz IVGKTBIYCRAJRL-JQWIXIFHSA-N 2 1 192.306 1.859 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H]2CCCCC[C@H]21 687907136 571946377 /nfs/dbraw/zinc/94/63/77/571946377.db2.gz PUSYVDWMUNUKTB-FIQHERPVSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H]2CCCCC[C@@H]21 687907135 571947027 /nfs/dbraw/zinc/94/70/27/571947027.db2.gz PUSYVDWMUNUKTB-BJDJZHNGSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H]2CCCCC[C@H]21 687907137 571947385 /nfs/dbraw/zinc/94/73/85/571947385.db2.gz PUSYVDWMUNUKTB-NNYUYHANSA-N 2 1 196.338 1.987 10 0 ADAEMP Cc1[nH+]c2c(C)cccn2c1CC[NH3+] 11570133 571947664 /nfs/dbraw/zinc/94/76/64/571947664.db2.gz COZLEQIMGMRGNM-UHFFFAOYSA-N 2 1 189.262 1.452 10 0 ADAEMP CC[NH2+][C@H](C)[C@@](C)([NH3+])c1ccccc1 687686568 571947673 /nfs/dbraw/zinc/94/76/73/571947673.db2.gz IVGKTBIYCRAJRL-ZYHUDNBSSA-N 2 1 192.306 1.859 10 0 ADAEMP C/C=C\C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 687750560 571948100 /nfs/dbraw/zinc/94/81/00/571948100.db2.gz WNMRLJQEKPJPHY-BQDGRVNRSA-N 2 1 180.295 1.517 10 0 ADAEMP C/C=C\C[N@@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 687750719 571948115 /nfs/dbraw/zinc/94/81/15/571948115.db2.gz GRROYPQHYYZGKW-UZAOFVRNSA-N 2 1 180.295 1.389 10 0 ADAEMP Cc1[nH+]cc(C2=CC[C@@H]([NH3+])CC2)n1C 687686688 571948159 /nfs/dbraw/zinc/94/81/59/571948159.db2.gz QGPUMXDDEMULME-SNVBAGLBSA-N 2 1 191.278 1.623 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@](C)([NH3+])c1ccccc1 687686565 571948184 /nfs/dbraw/zinc/94/81/84/571948184.db2.gz IVGKTBIYCRAJRL-CMPLNLGQSA-N 2 1 192.306 1.859 10 0 ADAEMP Cc1ccc2[nH+]c(C)c(CC[NH3+])n2c1 11570161 571948246 /nfs/dbraw/zinc/94/82/46/571948246.db2.gz BSRWZYLKXPRVJC-UHFFFAOYSA-N 2 1 189.262 1.452 10 0 ADAEMP Cc1[nH+]c2ccccn2c1CCC[NH3+] 11570189 571948849 /nfs/dbraw/zinc/94/88/49/571948849.db2.gz SOOGSNSDEIUUAC-UHFFFAOYSA-N 2 1 189.262 1.534 10 0 ADAEMP CC/C=C\C[N@@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 687750716 571948955 /nfs/dbraw/zinc/94/89/55/571948955.db2.gz DGGJZIZRBWOSKV-BKGLOODYSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 379329767 571949106 /nfs/dbraw/zinc/94/91/06/571949106.db2.gz CCRXKIRSQVVNEL-QKMQQOOLSA-N 2 1 168.284 1.374 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 379329766 571949439 /nfs/dbraw/zinc/94/94/39/571949439.db2.gz CCRXKIRSQVVNEL-CMIOBCHKSA-N 2 1 168.284 1.374 10 0 ADAEMP [NH3+]C1CC([N@H+]2C[C@H]3CCCCC[C@H]32)C1 687909218 571950643 /nfs/dbraw/zinc/95/06/43/571950643.db2.gz XDRIDTFTWKDXSA-HBIQZDMRSA-N 2 1 194.322 1.741 10 0 ADAEMP CC(C)[C@@](C)([NH3+])Cc1cc[nH+]c(N)c1 687687279 571951395 /nfs/dbraw/zinc/95/13/95/571951395.db2.gz DUWQLKRHTIVDIH-NSHDSACASA-N 2 1 193.294 1.580 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@H]([NH3+])C[C@@H]2C[N@H+]1C 76596968 571951959 /nfs/dbraw/zinc/95/19/59/571951959.db2.gz FSWNWOZJPUBCSQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2[NH2+]1 76596911 571952754 /nfs/dbraw/zinc/95/27/54/571952754.db2.gz RZACDENGNOSREP-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1[C@@H]2CC[NH2+][C@@H]2C[C@@H](C)[N@@H+]1C 76596860 571952271 /nfs/dbraw/zinc/95/22/71/571952271.db2.gz RYJCRRILGINBGL-XFWSIPNHSA-N 2 1 168.284 1.077 10 0 ADAEMP CC(C)[C@](C)([NH3+])Cc1cc[nH+]c(N)c1 687687275 571952770 /nfs/dbraw/zinc/95/27/70/571952770.db2.gz DUWQLKRHTIVDIH-LLVKDONJSA-N 2 1 193.294 1.580 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@H](C(N)=[NH2+])C1 79838449 571954898 /nfs/dbraw/zinc/95/48/98/571954898.db2.gz AMFHMMLBEWYJGP-JTQLQIEISA-N 2 1 197.326 1.680 10 0 ADAEMP CC[C@](C)([NH3+])Cc1cc[nH+]c(N)c1 687687754 571954941 /nfs/dbraw/zinc/95/49/41/571954941.db2.gz ZDEOSPJVMOIKFT-JTQLQIEISA-N 2 1 179.267 1.334 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](C[C@H](C)C[NH3+])C1 11804660 571955145 /nfs/dbraw/zinc/95/51/45/571955145.db2.gz WUONXZWGQPLSIB-OUAUKWLOSA-N 2 1 184.327 1.559 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@](C)([NH3+])C1 76598369 571957322 /nfs/dbraw/zinc/95/73/22/571957322.db2.gz ICYKADRHMFFXBS-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCC1CCCC1 300816914 571956007 /nfs/dbraw/zinc/95/60/07/571956007.db2.gz YNXZNOLGXAMVBY-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCC1CCCC1 300816913 571956090 /nfs/dbraw/zinc/95/60/90/571956090.db2.gz YNXZNOLGXAMVBY-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1[C@H](CC[NH3+])CC[C@@H](C)[N@@H+]1C 76598384 571956662 /nfs/dbraw/zinc/95/66/62/571956662.db2.gz VGULDHZFZLNPGL-UTLUCORTSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@H]1C[NH2+]CC1(C)C 711374949 571957218 /nfs/dbraw/zinc/95/72/18/571957218.db2.gz AAPJVLSSALHJQO-LLVKDONJSA-N 2 1 196.338 1.574 10 0 ADAEMP [NH3+]CC[NH2+]CCC1CCCC1 79961059 571958117 /nfs/dbraw/zinc/95/81/17/571958117.db2.gz GSIRGHWBCUCMKJ-UHFFFAOYSA-N 2 1 156.273 1.115 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@@H]1C[NH2+]CC1(C)C 711374955 571957379 /nfs/dbraw/zinc/95/73/79/571957379.db2.gz AAPJVLSSALHJQO-NSHDSACASA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2C[C@H](C)CC[C@@H]2N)C1 40717915 571960105 /nfs/dbraw/zinc/96/01/05/571960105.db2.gz MDJODRPPRGOUSH-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H](C)[NH2+]CC1([NH2+]C)CCC1 393338513 571960819 /nfs/dbraw/zinc/96/08/19/571960819.db2.gz OULFKYXAUAQTJQ-VIFPVBQESA-N 2 1 170.300 1.517 10 0 ADAEMP C1C[C@@H](C[N@H+](CC2CC2)C2CC2)C[NH2+]1 80369531 571961181 /nfs/dbraw/zinc/96/11/81/571961181.db2.gz RIKAXFZKOCFBEA-LLVKDONJSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H](C)[NH2+]CC1([NH2+]C)CCC1 393338512 571961375 /nfs/dbraw/zinc/96/13/75/571961375.db2.gz OULFKYXAUAQTJQ-SECBINFHSA-N 2 1 170.300 1.517 10 0 ADAEMP C1C[C@H](C[N@H+](CC2CC2)C2CC2)C[NH2+]1 80369533 571962149 /nfs/dbraw/zinc/96/21/49/571962149.db2.gz RIKAXFZKOCFBEA-NSHDSACASA-N 2 1 194.322 1.470 10 0 ADAEMP CO[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]C1CC1 234797354 571962611 /nfs/dbraw/zinc/96/26/11/571962611.db2.gz PAOXBKYLHIIHFI-GHMZBOCLSA-N 2 1 198.310 1.025 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCC[NH3+])C1 40717021 571962697 /nfs/dbraw/zinc/96/26/97/571962697.db2.gz SFOFEZYVZSNEQW-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CC[C@H](CF)C1 711420865 571962861 /nfs/dbraw/zinc/96/28/61/571962861.db2.gz ZDSIHTDXSSSYHO-IVZWLZJFSA-N 2 1 188.290 1.404 10 0 ADAEMP CO[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]C1CC1 234793029 571963093 /nfs/dbraw/zinc/96/30/93/571963093.db2.gz PAOXBKYLHIIHFI-QWRGUYRKSA-N 2 1 198.310 1.025 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CC[C@@H](CF)C1 711420857 571963426 /nfs/dbraw/zinc/96/34/26/571963426.db2.gz ZDSIHTDXSSSYHO-AEJSXWLSSA-N 2 1 188.290 1.404 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CC[C@@H](CF)C1 711420861 571963685 /nfs/dbraw/zinc/96/36/85/571963685.db2.gz ZDSIHTDXSSSYHO-GUBZILKMSA-N 2 1 188.290 1.404 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)CC(C)(C)N 40925898 571964265 /nfs/dbraw/zinc/96/42/65/571964265.db2.gz CVLYVXKJFBGZAJ-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@@H](C)N(CC)CC(C)(C)[NH3+] 40925898 571964280 /nfs/dbraw/zinc/96/42/80/571964280.db2.gz CVLYVXKJFBGZAJ-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CC[C@H](CF)C1 711420876 571964355 /nfs/dbraw/zinc/96/43/55/571964355.db2.gz ZDSIHTDXSSSYHO-LPEHRKFASA-N 2 1 188.290 1.404 10 0 ADAEMP CO[C@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)C1 234799219 571964516 /nfs/dbraw/zinc/96/45/16/571964516.db2.gz WATCWNVGBFDKHH-WDEREUQCSA-N 2 1 198.310 1.025 10 0 ADAEMP CC[N@@H+](CC[NH3+])[C@H](C)C(C)(C)OC 300825280 571964970 /nfs/dbraw/zinc/96/49/70/571964970.db2.gz NNCCJNAYVSKRDC-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@H+](CC[NH3+])[C@H](C)C(C)(C)OC 300825280 571964968 /nfs/dbraw/zinc/96/49/68/571964968.db2.gz NNCCJNAYVSKRDC-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CO[C@@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)C1 234801265 571965105 /nfs/dbraw/zinc/96/51/05/571965105.db2.gz WATCWNVGBFDKHH-GHMZBOCLSA-N 2 1 198.310 1.025 10 0 ADAEMP [NH3+]CC[NH2+]CCCC1CCCC1 80491379 571965357 /nfs/dbraw/zinc/96/53/57/571965357.db2.gz BBKYJGQKSAQVRS-UHFFFAOYSA-N 2 1 170.300 1.505 10 0 ADAEMP CC[N@H+](CC[NH3+])[C@@H](C)C(C)(C)OC 300825282 571965595 /nfs/dbraw/zinc/96/55/95/571965595.db2.gz NNCCJNAYVSKRDC-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](CC[NH3+])[C@@H](C)C(C)(C)OC 300825282 571965598 /nfs/dbraw/zinc/96/55/98/571965598.db2.gz NNCCJNAYVSKRDC-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC1CCC([N@H+]2CCC[C@H](N)C2)CC1 41027564 571966379 /nfs/dbraw/zinc/96/63/79/571966379.db2.gz ITCVCHCNAQODID-CXQJBGSLSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1CCC(N2CCC[C@H]([NH3+])C2)CC1 41027564 571966382 /nfs/dbraw/zinc/96/63/82/571966382.db2.gz ITCVCHCNAQODID-CXQJBGSLSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H](C(C)C)[N@H+]1CCC[C@H](N)C1 41028008 571966702 /nfs/dbraw/zinc/96/67/02/571966702.db2.gz RATLAERXQUFEBL-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C(C)C)[N@H+]1CCC[C@H](N)C1 41028009 571967076 /nfs/dbraw/zinc/96/70/76/571967076.db2.gz RATLAERXQUFEBL-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H](N)C1 41028003 571967185 /nfs/dbraw/zinc/96/71/85/571967185.db2.gz KOBZLCHIQFYSSG-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@@H](C)N1CCC[C@H]([NH3+])C1 41028003 571967187 /nfs/dbraw/zinc/96/71/87/571967187.db2.gz KOBZLCHIQFYSSG-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H](N)C2)C1 41027597 571967694 /nfs/dbraw/zinc/96/76/94/571967694.db2.gz KICQRLVFSVPIPD-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[C@@H](N2CCC[C@H]([NH3+])C2)C1 41027597 571967697 /nfs/dbraw/zinc/96/76/97/571967697.db2.gz KICQRLVFSVPIPD-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](N)C2)C1 41027595 571968189 /nfs/dbraw/zinc/96/81/89/571968189.db2.gz KICQRLVFSVPIPD-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[C@H](N2CCC[C@H]([NH3+])C2)C1 41027595 571968192 /nfs/dbraw/zinc/96/81/92/571968192.db2.gz KICQRLVFSVPIPD-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CCC(N)=[NH2+] 234332052 571968738 /nfs/dbraw/zinc/96/87/38/571968738.db2.gz YHQGZBNSMGMVMM-MRVPVSSYSA-N 2 1 169.272 1.187 10 0 ADAEMP CC[C@H](C)[C@H](C)N1CCC[C@H]([NH3+])C1 41028005 571969224 /nfs/dbraw/zinc/96/92/24/571969224.db2.gz KOBZLCHIQFYSSG-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](N)C1 41028005 571969221 /nfs/dbraw/zinc/96/92/21/571969221.db2.gz KOBZLCHIQFYSSG-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 81038768 571970203 /nfs/dbraw/zinc/97/02/03/571970203.db2.gz NYUFJTREPQYMGZ-GARJFASQSA-N 2 1 182.311 1.517 10 0 ADAEMP C[N@H+](CC1CC1)C[C@H]1CCCCC[NH2+]1 81003179 571970298 /nfs/dbraw/zinc/97/02/98/571970298.db2.gz YBISNRABUKOTTM-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@H]1CCCCC[NH2+]1 81003179 571970300 /nfs/dbraw/zinc/97/03/00/571970300.db2.gz YBISNRABUKOTTM-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]CC[NH2+]CCC1CCCCC1 80858862 571970387 /nfs/dbraw/zinc/97/03/87/571970387.db2.gz ZKITVQQJRMZDBV-UHFFFAOYSA-N 2 1 170.300 1.505 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CCC2(CCC2)O1 711437313 571970409 /nfs/dbraw/zinc/97/04/09/571970409.db2.gz KIZALLKBNVNDDR-ZJUUUORDSA-N 2 1 198.310 1.025 10 0 ADAEMP CCC[N@H+](C)C[C@H]1CCCCC[NH2+]1 81002933 571970615 /nfs/dbraw/zinc/97/06/15/571970615.db2.gz ZQYVQMLPDOXSSX-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CCCCC[NH2+]1 81002933 571970620 /nfs/dbraw/zinc/97/06/20/571970620.db2.gz ZQYVQMLPDOXSSX-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC2CCC2)C1 401636413 571970930 /nfs/dbraw/zinc/97/09/30/571970930.db2.gz DBWLTPYKTGJKLO-JQWIXIFHSA-N 2 1 196.338 1.764 10 0 ADAEMP Cc1[nH+]c(C(C)C)c2n1CC[C@@H]([NH3+])C2 219401768 571971775 /nfs/dbraw/zinc/97/17/75/571971775.db2.gz WABLXIHPUPKKIA-SECBINFHSA-N 2 1 193.294 1.588 10 0 ADAEMP CC(C)CC[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 41067048 571971916 /nfs/dbraw/zinc/97/19/16/571971916.db2.gz FVLUXWAZKQGENK-YOGCLGLASA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 41053755 571972556 /nfs/dbraw/zinc/97/25/56/571972556.db2.gz NZQAGNJVGUWQIN-MNOVXSKESA-N 2 1 192.306 1.854 10 0 ADAEMP C[C@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 81038765 571972528 /nfs/dbraw/zinc/97/25/28/571972528.db2.gz NYUFJTREPQYMGZ-DCAQKATOSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+](C)Cc1ccccc1 41053755 571972554 /nfs/dbraw/zinc/97/25/54/571972554.db2.gz NZQAGNJVGUWQIN-MNOVXSKESA-N 2 1 192.306 1.854 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccccc1 41053752 571973019 /nfs/dbraw/zinc/97/30/19/571973019.db2.gz NZQAGNJVGUWQIN-WDEREUQCSA-N 2 1 192.306 1.854 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccccc1 41053752 571973021 /nfs/dbraw/zinc/97/30/21/571973021.db2.gz NZQAGNJVGUWQIN-WDEREUQCSA-N 2 1 192.306 1.854 10 0 ADAEMP CC[C@@H]1C[N@@H+](C/C=C/C[NH3+])CCCO1 300829429 571973271 /nfs/dbraw/zinc/97/32/71/571973271.db2.gz FCQXATNKWZFQSW-PGLGOXFNSA-N 2 1 198.310 1.002 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CCC2(CCC2)O1 711437310 571973281 /nfs/dbraw/zinc/97/32/81/571973281.db2.gz KIZALLKBNVNDDR-VHSXEESVSA-N 2 1 198.310 1.025 10 0 ADAEMP CC[NH2+]CC[NH2+]C[C@@H](C)C(C)C 81068703 571973621 /nfs/dbraw/zinc/97/36/21/571973621.db2.gz ZBIFJVZHUDPCTO-SNVBAGLBSA-N 2 1 172.316 1.478 10 0 ADAEMP CCC[C@@H](C[NH2+]C)Cc1c[nH+]cn1C 401666082 571973880 /nfs/dbraw/zinc/97/38/80/571973880.db2.gz HRHCEDMLTZFWKA-SNVBAGLBSA-N 2 1 195.310 1.598 10 0 ADAEMP CC(C)[C@@H](C)C[NH2+][C@H]1CCC[NH2+]C1 81045639 571974374 /nfs/dbraw/zinc/97/43/74/571974374.db2.gz RQFZBYMGLROQJS-QWRGUYRKSA-N 2 1 184.327 1.620 10 0 ADAEMP CC(C)[C@H](C)C[NH2+][C@H]1CCC[NH2+]C1 81045642 571974475 /nfs/dbraw/zinc/97/44/75/571974475.db2.gz RQFZBYMGLROQJS-MNOVXSKESA-N 2 1 184.327 1.620 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)C(C)C)C1 81065356 571974509 /nfs/dbraw/zinc/97/45/09/571974509.db2.gz JURXKUYBZMIDGX-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)[C@H](C)C[NH2+][C@@H]1CCC[NH2+]C1 81045636 571974782 /nfs/dbraw/zinc/97/47/82/571974782.db2.gz RQFZBYMGLROQJS-GHMZBOCLSA-N 2 1 184.327 1.620 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)C(C)C)C1 81065353 571974835 /nfs/dbraw/zinc/97/48/35/571974835.db2.gz JURXKUYBZMIDGX-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]CC[NH2+]C[C@H](C)C(C)C 81068789 571974985 /nfs/dbraw/zinc/97/49/85/571974985.db2.gz HKTJIJTWUXFPDX-VIFPVBQESA-N 2 1 158.289 1.088 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)C(C)C)C1 81079199 571975026 /nfs/dbraw/zinc/97/50/26/571975026.db2.gz CKJWJMCUNXUSSF-VXGBXAGGSA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[C@H](C[NH2+]C)Cc1c[nH+]cn1C 401666081 571975077 /nfs/dbraw/zinc/97/50/77/571975077.db2.gz HRHCEDMLTZFWKA-JTQLQIEISA-N 2 1 195.310 1.598 10 0 ADAEMP CC(C)[C@H](C)C[NH2+]CC[NH2+]C1CC1 81069007 571975085 /nfs/dbraw/zinc/97/50/85/571975085.db2.gz ARXRTRYLVILAHN-SNVBAGLBSA-N 2 1 184.327 1.620 10 0 ADAEMP CC(C)[C@@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 81079171 571975159 /nfs/dbraw/zinc/97/51/59/571975159.db2.gz PNWZUVBXWLGOHO-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[NH2+]CC[NH2+]C[C@H](C)C(C)C 81068708 571975173 /nfs/dbraw/zinc/97/51/73/571975173.db2.gz ZBIFJVZHUDPCTO-JTQLQIEISA-N 2 1 172.316 1.478 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 81079179 571975248 /nfs/dbraw/zinc/97/52/48/571975248.db2.gz PNWZUVBXWLGOHO-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP C[NH2+]CC[NH2+]C[C@@H](C)C(C)C 81068793 571975654 /nfs/dbraw/zinc/97/56/54/571975654.db2.gz HKTJIJTWUXFPDX-SECBINFHSA-N 2 1 158.289 1.088 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C[C@@H](C)C(C)C 81079670 571975835 /nfs/dbraw/zinc/97/58/35/571975835.db2.gz CHGAEXGTOXOWBP-ZJUUUORDSA-N 2 1 172.316 1.476 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)C(C)C)C1 81079196 571976016 /nfs/dbraw/zinc/97/60/16/571976016.db2.gz CKJWJMCUNXUSSF-NWDGAFQWSA-N 2 1 198.354 1.820 10 0 ADAEMP C[N@@H+](CCCC1CC1)[C@H]1CCC[C@@H]1N 400682652 571976654 /nfs/dbraw/zinc/97/66/54/571976654.db2.gz VQUQNMLQFYKIIR-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](CCCC1CC1)[C@@H]1CCC[C@H]1N 400682653 571976721 /nfs/dbraw/zinc/97/67/21/571976721.db2.gz VQUQNMLQFYKIIR-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP [NH3+]C/C=C\C[N@H+]1CCC[C@@H](CF)C1 711460220 571976786 /nfs/dbraw/zinc/97/67/86/571976786.db2.gz INJNERMVKSSNEP-SYBPUXJVSA-N 2 1 186.274 1.183 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)[C@H]1CC[NH2+]C1 400686202 571977155 /nfs/dbraw/zinc/97/71/55/571977155.db2.gz YCJPSWYQESTVRN-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]C/C=C/C[N@H+]1CCC[C@@H](CF)C1 711460222 571977540 /nfs/dbraw/zinc/97/75/40/571977540.db2.gz INJNERMVKSSNEP-YOLVWIGZSA-N 2 1 186.274 1.183 10 0 ADAEMP CCC[N@@H+](CC)[C@H](C)[C@H]1CC[NH2+]C1 400686201 571977000 /nfs/dbraw/zinc/97/70/00/571977000.db2.gz YCJPSWYQESTVRN-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]C/C=C\C[N@H+]1CCC[C@H](CF)C1 711460219 571977195 /nfs/dbraw/zinc/97/71/95/571977195.db2.gz INJNERMVKSSNEP-JWXWKVPASA-N 2 1 186.274 1.183 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)[C@@H]1CC[NH2+]C1 400686204 571977234 /nfs/dbraw/zinc/97/72/34/571977234.db2.gz YCJPSWYQESTVRN-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]C/C=C/C[N@H+]1CCC[C@H](CF)C1 711460221 571977498 /nfs/dbraw/zinc/97/74/98/571977498.db2.gz INJNERMVKSSNEP-TXXBHVLJSA-N 2 1 186.274 1.183 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](CC2(C3CC3)CC2)C1 234478412 571977654 /nfs/dbraw/zinc/97/76/54/571977654.db2.gz RLYYIVBIZAHKIK-NSHDSACASA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 234478412 571977656 /nfs/dbraw/zinc/97/76/56/571977656.db2.gz RLYYIVBIZAHKIK-NSHDSACASA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)c1[nH+]c[nH]c1CC[NH3+] 39103230 571985105 /nfs/dbraw/zinc/98/51/05/571985105.db2.gz FRFLVDVEKQMGGB-UHFFFAOYSA-N 2 1 153.229 1.034 10 0 ADAEMP CC(C)(C)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 713174256 571985287 /nfs/dbraw/zinc/98/52/87/571985287.db2.gz DSYGYKULPUBQCM-MNOVXSKESA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)(C)C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 713174260 571985333 /nfs/dbraw/zinc/98/53/33/571985333.db2.gz DSYGYKULPUBQCM-QWRGUYRKSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)C1CC1 401790746 571986403 /nfs/dbraw/zinc/98/64/03/571986403.db2.gz GUYOXGPNBUXBOJ-DLOVCJGASA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)C1CC1 401790748 571985938 /nfs/dbraw/zinc/98/59/38/571985938.db2.gz GUYOXGPNBUXBOJ-JLLWLGSASA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@@H]1C[C@@H]1C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 401766743 571986025 /nfs/dbraw/zinc/98/60/25/571986025.db2.gz YVAHNHANFMEGKL-IRCOFANPSA-N 2 1 196.338 1.620 10 0 ADAEMP CC[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)C1CC1 401790752 571986044 /nfs/dbraw/zinc/98/60/44/571986044.db2.gz GUYOXGPNBUXBOJ-WCQGTBRESA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)C1CC1 401790751 571986371 /nfs/dbraw/zinc/98/63/71/571986371.db2.gz GUYOXGPNBUXBOJ-USWWRNFRSA-N 2 1 196.338 1.763 10 0 ADAEMP CNc1[nH+]ccn1CC[N@@H+](C)C1CC1 234492972 571987415 /nfs/dbraw/zinc/98/74/15/571987415.db2.gz CWQOPVNYKGALNG-UHFFFAOYSA-N 2 1 194.282 1.019 10 0 ADAEMP CNc1[nH+]ccn1CC[N@@H+](C)C(C)C 234492955 571988973 /nfs/dbraw/zinc/98/89/73/571988973.db2.gz YIXDDSXDFLWZDT-UHFFFAOYSA-N 2 1 196.298 1.265 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)CCC1CC1 300216327 571990251 /nfs/dbraw/zinc/99/02/51/571990251.db2.gz OAOFDGKHEHOZAA-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(=O)[C@H]1CCC[N@H+]1CCC(C)(C)[NH3+] 74237025 571990597 /nfs/dbraw/zinc/99/05/97/571990597.db2.gz WCKHOZQSMVMGLW-SNVBAGLBSA-N 2 1 198.310 1.167 10 0 ADAEMP CO[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]C1CC1 300214310 571990851 /nfs/dbraw/zinc/99/08/51/571990851.db2.gz PAOXBKYLHIIHFI-MNOVXSKESA-N 2 1 198.310 1.025 10 0 ADAEMP CC(C)[C@@H]1C[N@H+]2CCC[C@@H]2[C@@H]1[NH3+] 39104262 571990895 /nfs/dbraw/zinc/99/08/95/571990895.db2.gz NCTGJQCEKGJWIA-IVZWLZJFSA-N 2 1 168.284 1.064 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 81641781 571991200 /nfs/dbraw/zinc/99/12/00/571991200.db2.gz PDRRJXHYSZLEAX-RYUDHWBXSA-N 2 1 196.338 1.894 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH2+][C@H](C)C[NH3+])C1 230410655 571991760 /nfs/dbraw/zinc/99/17/60/571991760.db2.gz GSESEVZTAADQHY-BBBLOLIVSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81641784 571991953 /nfs/dbraw/zinc/99/19/53/571991953.db2.gz PDRRJXHYSZLEAX-VXGBXAGGSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@H](C2CC2)C1 81641778 571991964 /nfs/dbraw/zinc/99/19/64/571991964.db2.gz PDRRJXHYSZLEAX-NWDGAFQWSA-N 2 1 196.338 1.894 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771922 571992327 /nfs/dbraw/zinc/99/23/27/571992327.db2.gz NPANQIGYDGDEFU-WRWGMCAJSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81641786 571992559 /nfs/dbraw/zinc/99/25/59/571992559.db2.gz PDRRJXHYSZLEAX-NEPJUHHUSA-N 2 1 196.338 1.894 10 0 ADAEMP C[N@H+]1[C@H]2CC[C@@H]1C[C@@H](CC[NH3+])C2 687771216 571993048 /nfs/dbraw/zinc/99/30/48/571993048.db2.gz KRXFGUQNHMULCW-OWUUHHOZSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771919 571993513 /nfs/dbraw/zinc/99/35/13/571993513.db2.gz NPANQIGYDGDEFU-KXNHARMFSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@@]12CCC[C@@H](CC1)[NH2+]2 140027295 571993751 /nfs/dbraw/zinc/99/37/51/571993751.db2.gz HAIZVLWLRVOWCU-DTWKUNHWSA-N 2 1 154.257 1.228 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1[N@H+]1C[C@@H]2CC[C@H]1C2 687771921 571993805 /nfs/dbraw/zinc/99/38/05/571993805.db2.gz NPANQIGYDGDEFU-RHYQMDGZSA-N 2 1 194.322 1.611 10 0 ADAEMP C[N@H+]1[C@H]2CC[C@@H]1C[C@H](CC[NH3+])C2 687771214 571994379 /nfs/dbraw/zinc/99/43/79/571994379.db2.gz KRXFGUQNHMULCW-ILWJIGKKSA-N 2 1 168.284 1.208 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]([NH3+])C1CCCC1 401879283 571994900 /nfs/dbraw/zinc/99/49/00/571994900.db2.gz PNACMDWWBGEBQM-NSHDSACASA-N 2 1 193.294 1.480 10 0 ADAEMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](C)CC1 234385551 571994926 /nfs/dbraw/zinc/99/49/26/571994926.db2.gz COKMXDORSPCVGK-MNOVXSKESA-N 2 1 184.327 1.764 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772306 571995020 /nfs/dbraw/zinc/99/50/20/571995020.db2.gz JYBGQPSYESNHFH-ZDCRXTMVSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687771898 571995033 /nfs/dbraw/zinc/99/50/33/571995033.db2.gz HLTKHSHNFHFLFT-QCNOEVLYSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](C)CC1 234385340 571995204 /nfs/dbraw/zinc/99/52/04/571995204.db2.gz COKMXDORSPCVGK-WDEREUQCSA-N 2 1 184.327 1.764 10 0 ADAEMP C[C@H](CC(=[NH2+])NO)[N@H+]1C[C@@H]2CC[C@H]1C2 687772377 571995648 /nfs/dbraw/zinc/99/56/48/571995648.db2.gz OZZNRGWSTZGBKG-HLTSFMKQSA-N 2 1 197.282 1.205 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772305 571995846 /nfs/dbraw/zinc/99/58/46/571995846.db2.gz JYBGQPSYESNHFH-YTWAJWBKSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687771897 571995901 /nfs/dbraw/zinc/99/59/01/571995901.db2.gz HLTKHSHNFHFLFT-KXNHARMFSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@@H](C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772304 571996358 /nfs/dbraw/zinc/99/63/58/571996358.db2.gz JYBGQPSYESNHFH-MMWGEVLESA-N 2 1 182.311 1.467 10 0 ADAEMP [NH3+][C@@H]1C[NH2+]CC[C@H]1c1ccccc1F 140087935 571996539 /nfs/dbraw/zinc/99/65/39/571996539.db2.gz NFFTWVSQKKEFLY-GXSJLCMTSA-N 2 1 194.253 1.230 10 0 ADAEMP C[NH2+][C@H](C)[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1C2 687772303 571996860 /nfs/dbraw/zinc/99/68/60/571996860.db2.gz JYBGQPSYESNHFH-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C)CC1 234385319 571997042 /nfs/dbraw/zinc/99/70/42/571997042.db2.gz COKMXDORSPCVGK-GHMZBOCLSA-N 2 1 184.327 1.764 10 0 ADAEMP C[C@@H](CC(=[NH2+])NO)[N@H+]1C[C@@H]2CC[C@H]1C2 687772378 571997192 /nfs/dbraw/zinc/99/71/92/571997192.db2.gz OZZNRGWSTZGBKG-YIZRAAEISA-N 2 1 197.282 1.205 10 0 ADAEMP CCCCC[NH+]1CC2(CCC[NH2+]C2)C1 219572933 571997915 /nfs/dbraw/zinc/99/79/15/571997915.db2.gz KNZSFNGRXDTUDK-UHFFFAOYSA-N 2 1 196.338 1.862 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1C[C@@H]2CC[C@H]1C2 687773074 571998258 /nfs/dbraw/zinc/99/82/58/571998258.db2.gz IEVAWVRJZKILOD-VGMNWLOBSA-N 2 1 181.283 1.185 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1C[C@@H]2CC[C@H]1C2 687773074 571998260 /nfs/dbraw/zinc/99/82/60/571998260.db2.gz IEVAWVRJZKILOD-VGMNWLOBSA-N 2 1 181.283 1.185 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CC[C@@H](CF)C1 711520321 571998732 /nfs/dbraw/zinc/99/87/32/571998732.db2.gz PGXOBCAWVRZARR-VHSXEESVSA-N 2 1 188.290 1.261 10 0 ADAEMP CC(C)C[C@@H]([NH3+])[C@@H](C)[NH+](C)C 74342071 571998535 /nfs/dbraw/zinc/99/85/35/571998535.db2.gz XMJXZZPNMHDVQP-RKDXNWHRSA-N 2 1 158.289 1.310 10 0 ADAEMP C[NH2+][C@H](Cn1c[nH+]c(C)c1C)C1CC1 68900215 571998544 /nfs/dbraw/zinc/99/85/44/571998544.db2.gz ZBVYDWVVTHAUJY-LLVKDONJSA-N 2 1 193.294 1.498 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH3+])C1CC1 68900059 571998596 /nfs/dbraw/zinc/99/85/96/571998596.db2.gz QPWFEQJUXALIRZ-VIFPVBQESA-N 2 1 179.267 1.183 10 0 ADAEMP CC(C)=CC[NH2+]C[C@H]1CC[N@H+](C)C1 234387545 571998697 /nfs/dbraw/zinc/99/86/97/571998697.db2.gz NEHSXYYNAGZCTC-LLVKDONJSA-N 2 1 182.311 1.494 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CC[C@@H](CF)C1 711520321 571998730 /nfs/dbraw/zinc/99/87/30/571998730.db2.gz PGXOBCAWVRZARR-VHSXEESVSA-N 2 1 188.290 1.261 10 0 ADAEMP Cc1csc(C[NH2+]CC(C)(C)[NH3+])c1 393445825 571998900 /nfs/dbraw/zinc/99/89/00/571998900.db2.gz YXDMLLJWXLNBCV-UHFFFAOYSA-N 2 1 198.335 1.883 10 0 ADAEMP C[NH2+][C@@H](Cn1c[nH+]c(C)c1C)C1CC1 68900211 571999099 /nfs/dbraw/zinc/99/90/99/571999099.db2.gz ZBVYDWVVTHAUJY-NSHDSACASA-N 2 1 193.294 1.498 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1C[C@@H]2CC[C@H]1C2 687773073 571999279 /nfs/dbraw/zinc/99/92/79/571999279.db2.gz IEVAWVRJZKILOD-HRDYMLBCSA-N 2 1 181.283 1.185 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1C[C@@H]2CC[C@H]1C2 687773073 571999282 /nfs/dbraw/zinc/99/92/82/571999282.db2.gz IEVAWVRJZKILOD-HRDYMLBCSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2C[C@H]2C)C1 401881325 571999362 /nfs/dbraw/zinc/99/93/62/571999362.db2.gz QNJIRWBYLWLQLQ-ZRUFSTJUSA-N 2 1 182.311 1.230 10 0 ADAEMP CNc1[nH+]ccn1[C@@H]1CCC[N@@H+](C)C1 234500719 571999405 /nfs/dbraw/zinc/99/94/05/571999405.db2.gz UILCFNUJUOFANH-SECBINFHSA-N 2 1 194.282 1.192 10 0 ADAEMP CCC[N@H+]1CC2(CC2)C[NH2+]CC1(C)C 219578243 571999565 /nfs/dbraw/zinc/99/95/65/571999565.db2.gz DZXFWSJOQPPCRM-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CC[C@H](CF)C1 711520319 571999658 /nfs/dbraw/zinc/99/96/58/571999658.db2.gz PGXOBCAWVRZARR-NXEZZACHSA-N 2 1 188.290 1.261 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CC[C@H](CF)C1 711520319 571999661 /nfs/dbraw/zinc/99/96/61/571999661.db2.gz PGXOBCAWVRZARR-NXEZZACHSA-N 2 1 188.290 1.261 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@@H+]1CC[C@H](CF)C1 711520322 571999884 /nfs/dbraw/zinc/99/98/84/571999884.db2.gz PGXOBCAWVRZARR-ZJUUUORDSA-N 2 1 188.290 1.261 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@H+]1CC[C@H](CF)C1 711520322 571999887 /nfs/dbraw/zinc/99/98/87/571999887.db2.gz PGXOBCAWVRZARR-ZJUUUORDSA-N 2 1 188.290 1.261 10 0 ADAEMP CCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 219572738 572000068 /nfs/dbraw/zinc/00/00/68/572000068.db2.gz ICIWYWJKDLEFSO-UHFFFAOYSA-N 2 1 196.338 1.862 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]([NH3+])C1CC1 68895022 572000418 /nfs/dbraw/zinc/00/04/18/572000418.db2.gz KFQMVXYVMKFUQE-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@H](C[N@H+](C)CC1CC1)C1CC1 68894776 572000479 /nfs/dbraw/zinc/00/04/79/572000479.db2.gz VLVYGSMARADQRT-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@H](C[N@@H+](C)CC1CC1)C1CC1 68894776 572000481 /nfs/dbraw/zinc/00/04/81/572000481.db2.gz VLVYGSMARADQRT-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCCC1(C)C)C1CC1 68897576 572000526 /nfs/dbraw/zinc/00/05/26/572000526.db2.gz PFTSDECYDGEYBH-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C[N@H+]1CCC[C@@H]1C)C1CC1 68894730 572000796 /nfs/dbraw/zinc/00/07/96/572000796.db2.gz ZQCVRENCDYBAIC-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCC[C@@H]1C)C1CC1 68894725 572001116 /nfs/dbraw/zinc/00/11/16/572001116.db2.gz HTKXOCXZWIENFL-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@H]2CCC[C@H]21 393475298 572001136 /nfs/dbraw/zinc/00/11/36/572001136.db2.gz RSBKHWAHAOBJLR-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)C1CC1 68898435 572001182 /nfs/dbraw/zinc/00/11/82/572001182.db2.gz ZMTYUWHGNICUQP-LLVKDONJSA-N 2 1 193.294 1.580 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC[C@@H]2CCC[C@H]21 393475301 572001393 /nfs/dbraw/zinc/00/13/93/572001393.db2.gz RSBKHWAHAOBJLR-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC(C)(C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 713183735 572001747 /nfs/dbraw/zinc/00/17/47/572001747.db2.gz TYDDZZUNODVHIW-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[N@H+](CC1CC1)C[C@@H]([NH3+])C1CC1 68894767 572001808 /nfs/dbraw/zinc/00/18/08/572001808.db2.gz ZJYWBOKQMGRSGA-SNVBAGLBSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@H]([NH3+])C1CC1 68894741 572001915 /nfs/dbraw/zinc/00/19/15/572001915.db2.gz SIGVNBFSLVDJPJ-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[NH2+][C@H](C[N@H+]1CC[C@H](C)C1)C1CC1 68894844 572002485 /nfs/dbraw/zinc/00/24/85/572002485.db2.gz DMFMLIAFGXSVQV-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CCC(C)C)C1CC1 68895029 572002270 /nfs/dbraw/zinc/00/22/70/572002270.db2.gz GNWDYYMIMJDIGD-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CCC(C)C)C1CC1 68895029 572002274 /nfs/dbraw/zinc/00/22/74/572002274.db2.gz GNWDYYMIMJDIGD-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CC[C@@H](C)C1)C1CC1 68894836 572002355 /nfs/dbraw/zinc/00/23/55/572002355.db2.gz JYMPELWQZPVQLW-KOLCDFICSA-N 2 1 182.311 1.326 10 0 ADAEMP CCCC[N@@H+](C[C@H]([NH3+])C1CC1)C1CC1 68895380 572002421 /nfs/dbraw/zinc/00/24/21/572002421.db2.gz DJVFYPQUPNLYOZ-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@H]([NH2+]C)C1CC1 68894748 572002691 /nfs/dbraw/zinc/00/26/91/572002691.db2.gz AERRWSZGMNUXKE-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H]([NH3+])C1CC1 68895025 572002737 /nfs/dbraw/zinc/00/27/37/572002737.db2.gz KFQMVXYVMKFUQE-LLVKDONJSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CC1CC1)C1CC1 68894769 572002985 /nfs/dbraw/zinc/00/29/85/572002985.db2.gz HHUAUFDCQNWHHB-NSHDSACASA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CC1CC1)C1CC1 68894769 572002989 /nfs/dbraw/zinc/00/29/89/572002989.db2.gz HHUAUFDCQNWHHB-NSHDSACASA-N 2 1 182.311 1.326 10 0 ADAEMP CC[NH2+][C@@H](C[N@@H+](C)CC1CC1)C1CC1 68894773 572003225 /nfs/dbraw/zinc/00/32/25/572003225.db2.gz VLVYGSMARADQRT-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[N@@H+](C[C@@H]([NH3+])C1CC1)C1CC1 68895381 572003437 /nfs/dbraw/zinc/00/34/37/572003437.db2.gz DJVFYPQUPNLYOZ-GFCCVEGCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@H](C[N@H+]1CCCC1(C)C)C1CC1 68897580 572003479 /nfs/dbraw/zinc/00/34/79/572003479.db2.gz PFTSDECYDGEYBH-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])CC1CC1 68946746 572003609 /nfs/dbraw/zinc/00/36/09/572003609.db2.gz SUAQBLZCSPDZBK-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+]CC[N@H+](CC)CC1CC1 68946851 572003746 /nfs/dbraw/zinc/00/37/46/572003746.db2.gz PIRPVJQJIHRQTL-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[NH2+]CC[N@@H+](CC)CC1CC1 68946851 572003747 /nfs/dbraw/zinc/00/37/47/572003747.db2.gz PIRPVJQJIHRQTL-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@H](N)C1CC1 68946839 572003691 /nfs/dbraw/zinc/00/36/91/572003691.db2.gz OSURCCCXMGCZME-NSHDSACASA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)NC 68946758 572004532 /nfs/dbraw/zinc/00/45/32/572004532.db2.gz BYGULJQHQGDALD-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H](N)[C@@H](C)[N@@H+](CC)CC1CC1 68946719 572004614 /nfs/dbraw/zinc/00/46/14/572004614.db2.gz VYVRGUVGPLVBAZ-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](CCC[C@H](C)[NH3+])CC1CC1 68946747 572004875 /nfs/dbraw/zinc/00/48/75/572004875.db2.gz SUAQBLZCSPDZBK-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)N 68946887 572005079 /nfs/dbraw/zinc/00/50/79/572005079.db2.gz GDZLGGJNNZIAHA-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H](N)[C@H](C)[N@@H+](CC)CC1CC1 68946722 572005383 /nfs/dbraw/zinc/00/53/83/572005383.db2.gz VYVRGUVGPLVBAZ-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](N)[C@@H](C)[N@@H+](CC)CC1CC1 68946718 572005574 /nfs/dbraw/zinc/00/55/74/572005574.db2.gz VYVRGUVGPLVBAZ-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](N)[C@H](C)[N@@H+](CC)CC1CC1 68946720 572005646 /nfs/dbraw/zinc/00/56/46/572005646.db2.gz VYVRGUVGPLVBAZ-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@H+](CC1CC1)[C@@H]1CCC[C@@H]1NC 68946805 572006160 /nfs/dbraw/zinc/00/61/60/572006160.db2.gz DIEPZTFEISPFPL-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)C1CCC([NH3+])CC1 68947205 572006982 /nfs/dbraw/zinc/00/69/82/572006982.db2.gz NIKIPIVAHFJYGY-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H](C)CC[NH3+] 42456456 572017287 /nfs/dbraw/zinc/01/72/87/572017287.db2.gz HQMJZECVYZUOHX-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H](C)C[NH3+] 42308444 572009337 /nfs/dbraw/zinc/00/93/37/572009337.db2.gz BEKTYRAMMMHNNA-SNVBAGLBSA-N 2 1 172.316 1.559 10 0 ADAEMP CC[N@@H+](CCC[NH3+])CCC(C)C 34960285 572009373 /nfs/dbraw/zinc/00/93/73/572009373.db2.gz ZQAPGGBRHBUBIB-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])CC(C)C 34960338 572009491 /nfs/dbraw/zinc/00/94/91/572009491.db2.gz BSSNPWCAVGDVMX-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+](C)C1CC1 393449426 572009633 /nfs/dbraw/zinc/00/96/33/572009633.db2.gz KITZLFAGRCTHMS-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCSCCC[NH2+][C@@H](C)C[NH3+] 300881505 572009968 /nfs/dbraw/zinc/00/99/68/572009968.db2.gz GEZIOXBYPXECBN-QMMMGPOBSA-N 2 1 176.329 1.066 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H](C)C[NH3+] 42308442 572010495 /nfs/dbraw/zinc/01/04/95/572010495.db2.gz BEKTYRAMMMHNNA-JTQLQIEISA-N 2 1 172.316 1.559 10 0 ADAEMP CC[N@@H+](CCC[NH3+])Cc1ccncc1 34960296 572010858 /nfs/dbraw/zinc/01/08/58/572010858.db2.gz QMPAYDATDCLEMS-UHFFFAOYSA-N 2 1 193.294 1.252 10 0 ADAEMP CC[N@H+](CCC[NH3+])Cc1cccnc1 34960289 572011009 /nfs/dbraw/zinc/01/10/09/572011009.db2.gz MEIKIBVLUAGVFB-UHFFFAOYSA-N 2 1 193.294 1.252 10 0 ADAEMP CC[N@@H+](CCC[NH3+])Cc1cccnc1 34960289 572011011 /nfs/dbraw/zinc/01/10/11/572011011.db2.gz MEIKIBVLUAGVFB-UHFFFAOYSA-N 2 1 193.294 1.252 10 0 ADAEMP CCSCCC[NH2+][C@H](C)C[NH3+] 300881503 572011071 /nfs/dbraw/zinc/01/10/71/572011071.db2.gz GEZIOXBYPXECBN-MRVPVSSYSA-N 2 1 176.329 1.066 10 0 ADAEMP C[C@@H](CC[NH3+])CC[N@@H+](C)C1CC1 393449430 572011313 /nfs/dbraw/zinc/01/13/13/572011313.db2.gz KITZLFAGRCTHMS-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])C(C)C 34960347 572011360 /nfs/dbraw/zinc/01/13/60/572011360.db2.gz BTVVPGMENIYJBA-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP CCC[NH2+]CC[N@H+](CC)CCC 42302593 572011638 /nfs/dbraw/zinc/01/16/38/572011638.db2.gz CCAOUJNKQZOTAM-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CCC[NH2+]CC[N@@H+](CC)CCC 42302593 572011640 /nfs/dbraw/zinc/01/16/40/572011640.db2.gz CCAOUJNKQZOTAM-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@H]1CCC[C@@H]1[NH3+] 68948352 572011718 /nfs/dbraw/zinc/01/17/18/572011718.db2.gz BQZBDVCJEKBJBB-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])C1 68988969 572011853 /nfs/dbraw/zinc/01/18/53/572011853.db2.gz QCCPPARPYKEDMX-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])C1 68988969 572011855 /nfs/dbraw/zinc/01/18/55/572011855.db2.gz QCCPPARPYKEDMX-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@H]1C[NH2+]C[C@@H]1C 68947643 572011881 /nfs/dbraw/zinc/01/18/81/572011881.db2.gz VJSVZRBYIZJMRM-CMPLNLGQSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@@H+](CC1CC1)CC(C)(C)C[NH3+] 68948335 572011946 /nfs/dbraw/zinc/01/19/46/572011946.db2.gz BWZMTKICRBTREY-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[N@@H+](CC1CC1)CC(C)(C)C[NH2+]C 68948426 572012404 /nfs/dbraw/zinc/01/24/04/572012404.db2.gz AVWQKQTUNPPPRM-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CC[C@H]1CCC[NH2+]1)CC1CC1 68947673 572012695 /nfs/dbraw/zinc/01/26/95/572012695.db2.gz FHDQTXLGTVQXNK-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[C@](CC)(C[NH3+])[NH2+]CC 68988358 572012789 /nfs/dbraw/zinc/01/27/89/572012789.db2.gz NIEGMTMYGDKYMR-SNVBAGLBSA-N 2 1 172.316 1.894 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@@H]1C 68947642 572012858 /nfs/dbraw/zinc/01/28/58/572012858.db2.gz VJSVZRBYIZJMRM-JQWIXIFHSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)CC(N)=[NH2+] 68947268 572012994 /nfs/dbraw/zinc/01/29/94/572012994.db2.gz DKUBSNQPPCCRQZ-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[N@@H+](CC[C@@H]1CCC[NH2+]1)CC1CC1 68947671 572013016 /nfs/dbraw/zinc/01/30/16/572013016.db2.gz FHDQTXLGTVQXNK-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[C@@](CC)(C[NH3+])[NH2+]CC 68988355 572013076 /nfs/dbraw/zinc/01/30/76/572013076.db2.gz NIEGMTMYGDKYMR-JTQLQIEISA-N 2 1 172.316 1.894 10 0 ADAEMP C[C@@H]1CC[C@H]([NH3+])CN1CC1CCCC1 42375147 572013127 /nfs/dbraw/zinc/01/31/27/572013127.db2.gz YJCIYENJYZLHGR-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCC[C@@](CC)(C[NH3+])[NH2+]C 68988349 572013158 /nfs/dbraw/zinc/01/31/58/572013158.db2.gz NOQCMLCSTHNCFT-VIFPVBQESA-N 2 1 158.289 1.504 10 0 ADAEMP C[C@H]1CC[C@@H]([NH3+])CN1CC1CCCC1 42375150 572013168 /nfs/dbraw/zinc/01/31/68/572013168.db2.gz YJCIYENJYZLHGR-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[C@H]([NH3+])CN1CC1CCCC1 42375148 572013094 /nfs/dbraw/zinc/01/30/94/572013094.db2.gz YJCIYENJYZLHGR-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](CCCC[NH2+]C)CC1CC1 68947636 572013492 /nfs/dbraw/zinc/01/34/92/572013492.db2.gz XNUIGSOTTFWBDN-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[N@H+](CC1CC1)[C@@H](C)C(N)=[NH2+] 68947264 572013788 /nfs/dbraw/zinc/01/37/88/572013788.db2.gz LGALOSHVHSNQGS-ZETCQYMHSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)C(N)=[NH2+] 68947264 572013791 /nfs/dbraw/zinc/01/37/91/572013791.db2.gz LGALOSHVHSNQGS-ZETCQYMHSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](CC)CC1CC1 68947273 572014010 /nfs/dbraw/zinc/01/40/10/572014010.db2.gz GEVMLOLQNHITQJ-SNVBAGLBSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH3+])CN1CC1CCCC1 42375149 572014123 /nfs/dbraw/zinc/01/41/23/572014123.db2.gz YJCIYENJYZLHGR-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](CCCC(N)=[NH2+])CC1CC1 68947269 572014263 /nfs/dbraw/zinc/01/42/63/572014263.db2.gz NCFQLJOZRBMMME-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](CC)CC1CC1 68947277 572014458 /nfs/dbraw/zinc/01/44/58/572014458.db2.gz NUNBFYXCDMGMLT-VIFPVBQESA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](CC)CC1CC1 68947277 572014459 /nfs/dbraw/zinc/01/44/59/572014459.db2.gz NUNBFYXCDMGMLT-VIFPVBQESA-N 2 1 183.299 1.433 10 0 ADAEMP CNc1[nH+]c(C)cn1[C@H]1CC[N@H+](C)C1 234520457 572014719 /nfs/dbraw/zinc/01/47/19/572014719.db2.gz PGJLLHWCJXHJDK-VIFPVBQESA-N 2 1 194.282 1.110 10 0 ADAEMP CNc1[nH+]c(C)cn1[C@H]1CC[N@@H+](C)C1 234520457 572014722 /nfs/dbraw/zinc/01/47/22/572014722.db2.gz PGJLLHWCJXHJDK-VIFPVBQESA-N 2 1 194.282 1.110 10 0 ADAEMP CCCC[C@@H](C)C[NH2+][C@@H](C)C[NH3+] 300886110 572014767 /nfs/dbraw/zinc/01/47/67/572014767.db2.gz GVJFBEZJYVUVRK-ZJUUUORDSA-N 2 1 172.316 1.750 10 0 ADAEMP CCC(C)(C)[N@@H+](C)CCCC[NH3+] 68994847 572014954 /nfs/dbraw/zinc/01/49/54/572014954.db2.gz MQXCCWGDTRFLGY-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@@H](C)[NH3+] 42419672 572014895 /nfs/dbraw/zinc/01/48/95/572014895.db2.gz PQSYFGZNKYXPBA-HTQZYQBOSA-N 2 1 167.256 1.354 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)CC[NH2+]C 68948654 572015032 /nfs/dbraw/zinc/01/50/32/572015032.db2.gz SYMHLYVICNXKEN-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@H](C)[NH3+] 42419673 572015221 /nfs/dbraw/zinc/01/52/21/572015221.db2.gz PQSYFGZNKYXPBA-YUMQZZPRSA-N 2 1 167.256 1.354 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@H](C)C[NH2+]C 68948617 572015240 /nfs/dbraw/zinc/01/52/40/572015240.db2.gz KYXFCNSLBFYOGA-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)CCC[NH3+] 68948641 572015796 /nfs/dbraw/zinc/01/57/96/572015796.db2.gz MFNSEDQQRVKGHN-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@H](C)C[NH3+] 68994979 572015845 /nfs/dbraw/zinc/01/58/45/572015845.db2.gz DMMOZZPUDQYUKR-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 42427351 572015864 /nfs/dbraw/zinc/01/58/64/572015864.db2.gz SSEKCXGZNFLPIB-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)C1CCCCC1 35221555 572015924 /nfs/dbraw/zinc/01/59/24/572015924.db2.gz IDYZVBJSNOOFTB-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@@H](C)[NH3+] 42419671 572015925 /nfs/dbraw/zinc/01/59/25/572015925.db2.gz PQSYFGZNKYXPBA-SFYZADRCSA-N 2 1 167.256 1.354 10 0 ADAEMP CCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 42427352 572016036 /nfs/dbraw/zinc/01/60/36/572016036.db2.gz SSEKCXGZNFLPIB-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])[C@H](C)CC(C)C 300886327 572016060 /nfs/dbraw/zinc/01/60/60/572016060.db2.gz JKXFMTAAOASDDQ-BDAKNGLRSA-N 2 1 158.289 1.215 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@H](C)[NH3+] 42419674 572015957 /nfs/dbraw/zinc/01/59/57/572015957.db2.gz PQSYFGZNKYXPBA-JGVFFNPUSA-N 2 1 167.256 1.354 10 0 ADAEMP CC[NH2+]CC[N@H+](C)C[C@H]1CCC[C@H]1C 300237116 572015968 /nfs/dbraw/zinc/01/59/68/572015968.db2.gz XZCBUOWAAWXKNG-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]CC[N@@H+](C)C[C@H]1CCC[C@H]1C 300237116 572015971 /nfs/dbraw/zinc/01/59/71/572015971.db2.gz XZCBUOWAAWXKNG-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@H](C)CC[NH3+] 68994910 572016264 /nfs/dbraw/zinc/01/62/64/572016264.db2.gz LGJAQFIGSIBWHW-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@@H](C)C[NH3+] 68994974 572016733 /nfs/dbraw/zinc/01/67/33/572016733.db2.gz DMMOZZPUDQYUKR-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)CCC[NH3+] 68948642 572016773 /nfs/dbraw/zinc/01/67/73/572016773.db2.gz MFNSEDQQRVKGHN-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@H+](CC[NH2+]CC(C)C)CC1CC1 68948542 572016785 /nfs/dbraw/zinc/01/67/85/572016785.db2.gz FJYXQDVNYRQVCR-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CC[NH2+]CC(C)C)CC1CC1 68948542 572016789 /nfs/dbraw/zinc/01/67/89/572016789.db2.gz FJYXQDVNYRQVCR-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]CC[N@H+](C)C[C@@H]1CCC[C@H]1C 300237115 572016977 /nfs/dbraw/zinc/01/69/77/572016977.db2.gz XZCBUOWAAWXKNG-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]CC[N@@H+](C)C[C@@H]1CCC[C@H]1C 300237115 572016978 /nfs/dbraw/zinc/01/69/78/572016978.db2.gz XZCBUOWAAWXKNG-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)CC[NH2+]C 68948656 572017058 /nfs/dbraw/zinc/01/70/58/572017058.db2.gz SYMHLYVICNXKEN-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@H](C)CC(C)C 300886333 572017070 /nfs/dbraw/zinc/01/70/70/572017070.db2.gz JKXFMTAAOASDDQ-RKDXNWHRSA-N 2 1 158.289 1.215 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@H]1CC[NH2+]C1 68998315 572017381 /nfs/dbraw/zinc/01/73/81/572017381.db2.gz TZLYYKWGAGTWLB-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])C1 300237923 572017394 /nfs/dbraw/zinc/01/73/94/572017394.db2.gz GFKRMKXZJSYWLT-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+](CC1CCC1)[C@H](C)C(N)=[NH2+] 300237663 572017572 /nfs/dbraw/zinc/01/75/72/572017572.db2.gz CFYQSTGJNIFQHI-MRVPVSSYSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@H](C)C(N)=[NH2+] 300237663 572017574 /nfs/dbraw/zinc/01/75/74/572017574.db2.gz CFYQSTGJNIFQHI-MRVPVSSYSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@H]1CCC[C@H]1N 300239071 572017617 /nfs/dbraw/zinc/01/76/17/572017617.db2.gz YSTWBYBEZSLBCN-NEPJUHHUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+](CCC[NH3+])Cc1ccoc1 42447815 572017680 /nfs/dbraw/zinc/01/76/80/572017680.db2.gz CBNPGPWQFIYDIP-UHFFFAOYSA-N 2 1 168.240 1.060 10 0 ADAEMP C[N@@H+](CCC[NH3+])Cc1ccoc1 42447815 572017682 /nfs/dbraw/zinc/01/76/82/572017682.db2.gz CBNPGPWQFIYDIP-UHFFFAOYSA-N 2 1 168.240 1.060 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@@H](C)[C@H](C)N 300239086 572017770 /nfs/dbraw/zinc/01/77/70/572017770.db2.gz ZAFAGPOXACHFBR-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](C)C(C)(C)CC 68998916 572017807 /nfs/dbraw/zinc/01/78/07/572017807.db2.gz QKHKOELEZAJIAU-MRVPVSSYSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](C)C(C)(C)CC 68998916 572017810 /nfs/dbraw/zinc/01/78/10/572017810.db2.gz QKHKOELEZAJIAU-MRVPVSSYSA-N 2 1 185.315 1.821 10 0 ADAEMP CSCCC[NH2+][C@H]1CCC[NH2+]C1 68997463 572017975 /nfs/dbraw/zinc/01/79/75/572017975.db2.gz HWPJXRUPEKYECB-VIFPVBQESA-N 2 1 188.340 1.081 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 68998312 572018033 /nfs/dbraw/zinc/01/80/33/572018033.db2.gz TZLYYKWGAGTWLB-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@H]1CC[C@H]1C[NH3+] 300238186 572018041 /nfs/dbraw/zinc/01/80/41/572018041.db2.gz KTPQLCSNCRBKPM-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC(C)(C)[N@@H+](C)CCCC(N)=[NH2+] 68998854 572018048 /nfs/dbraw/zinc/01/80/48/572018048.db2.gz MOQPRBFKOAWEHI-UHFFFAOYSA-N 2 1 185.315 1.823 10 0 ADAEMP CNc1[nH+]c(C)cn1[C@@H]1CC[N@H+](C)C1 234516003 572018061 /nfs/dbraw/zinc/01/80/61/572018061.db2.gz PGJLLHWCJXHJDK-SECBINFHSA-N 2 1 194.282 1.110 10 0 ADAEMP CNc1[nH+]c(C)cn1[C@@H]1CC[N@@H+](C)C1 234516003 572018064 /nfs/dbraw/zinc/01/80/64/572018064.db2.gz PGJLLHWCJXHJDK-SECBINFHSA-N 2 1 194.282 1.110 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 68998945 572018162 /nfs/dbraw/zinc/01/81/62/572018162.db2.gz HATTVQSTVWDWAA-MRVPVSSYSA-N 2 1 185.315 1.679 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@@H]1CC[C@H]([NH3+])C1 300237922 572018269 /nfs/dbraw/zinc/01/82/69/572018269.db2.gz GFKRMKXZJSYWLT-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC(C)(C)[N@@H+](C)CCC[NH2+]C 68997268 572019241 /nfs/dbraw/zinc/01/92/41/572019241.db2.gz ABMWKVZTJQJBJG-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC(C)(C)[N@H+](C)[C@@H](C)C(N)=[NH2+] 68998832 572018704 /nfs/dbraw/zinc/01/87/04/572018704.db2.gz VFXIVFOHFNXZLN-ZETCQYMHSA-N 2 1 171.288 1.431 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)C(N)=[NH2+] 68998832 572018706 /nfs/dbraw/zinc/01/87/06/572018706.db2.gz VFXIVFOHFNXZLN-ZETCQYMHSA-N 2 1 171.288 1.431 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H](C)CC[NH3+] 42456454 572018844 /nfs/dbraw/zinc/01/88/44/572018844.db2.gz HQMJZECVYZUOHX-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@H](C)[C@H](C)N 300239087 572018946 /nfs/dbraw/zinc/01/89/46/572018946.db2.gz ZAFAGPOXACHFBR-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@@H]1CC[C@H]1C[NH3+] 300238185 572019232 /nfs/dbraw/zinc/01/92/32/572019232.db2.gz KTPQLCSNCRBKPM-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 68998906 572019418 /nfs/dbraw/zinc/01/94/18/572019418.db2.gz AFYYYCJRCZWTDQ-QMMMGPOBSA-N 2 1 185.315 1.821 10 0 ADAEMP CCC(C)(C)[N@@H+](C)CC[C@@H](C)[NH3+] 68996482 572019464 /nfs/dbraw/zinc/01/94/64/572019464.db2.gz KKJMCKURUMEPFW-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2C=CCCC2)C1 234374460 572019486 /nfs/dbraw/zinc/01/94/86/572019486.db2.gz ILRFTYBFCPNAIT-NWDGAFQWSA-N 2 1 194.322 1.636 10 0 ADAEMP CC[N@@H+](CC1CCC1)[C@@H]1CCC[C@H]1N 300239072 572019653 /nfs/dbraw/zinc/01/96/53/572019653.db2.gz YSTWBYBEZSLBCN-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)CCC(C)C 42457902 572019750 /nfs/dbraw/zinc/01/97/50/572019750.db2.gz JTYHJWFOJYQYPA-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1CCCSCC1 42444944 572019863 /nfs/dbraw/zinc/01/98/63/572019863.db2.gz XKKZZTCSRWZRRZ-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCCSCC1 42444944 572019866 /nfs/dbraw/zinc/01/98/66/572019866.db2.gz XKKZZTCSRWZRRZ-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CSCCC[NH2+][C@@H]1CCC[NH2+]C1 68997460 572020223 /nfs/dbraw/zinc/02/02/23/572020223.db2.gz HWPJXRUPEKYECB-SECBINFHSA-N 2 1 188.340 1.081 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+](C)C[C@@H]1C[C@H]1C 393464367 572020631 /nfs/dbraw/zinc/02/06/31/572020631.db2.gz VKBKWJBECJNNGY-UTUOFQBUSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 69015534 572020647 /nfs/dbraw/zinc/02/06/47/572020647.db2.gz HHMWDUKDQZQNIC-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP CCOCC[N@@H+](CCC[NH3+])C(C)C 35358877 572020746 /nfs/dbraw/zinc/02/07/46/572020746.db2.gz RTSASLBGPXURPH-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+](C)C[C@H]1C[C@H]1C 393463860 572021026 /nfs/dbraw/zinc/02/10/26/572021026.db2.gz VKBKWJBECJNNGY-IJLUTSLNSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])CCOCC 35358876 572021135 /nfs/dbraw/zinc/02/11/35/572021135.db2.gz RXBDMZWJTLCKLG-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP CC[C@@H](CNC)[N@@H+]1CC[C@@H](C2CC2)C1 400310144 572021351 /nfs/dbraw/zinc/02/13/51/572021351.db2.gz ABYGPFSBXSJRTI-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](CNC)[N@H+]1CC[C@@H](C2CC2)C1 400310144 572021355 /nfs/dbraw/zinc/02/13/55/572021355.db2.gz ABYGPFSBXSJRTI-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@H+](C)CC[C@H](C)CC[NH3+] 393463858 572021511 /nfs/dbraw/zinc/02/15/11/572021511.db2.gz VKBKWJBECJNNGY-GRYCIOLGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+](C)CC[C@H](C)CC[NH3+] 393464372 572021978 /nfs/dbraw/zinc/02/19/78/572021978.db2.gz VKBKWJBECJNNGY-WOPDTQHZSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@H](CNC)[N@@H+]1CC[C@H](C2CC2)C1 400310145 572022207 /nfs/dbraw/zinc/02/22/07/572022207.db2.gz ABYGPFSBXSJRTI-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](CNC)[N@H+]1CC[C@H](C2CC2)C1 400310145 572022210 /nfs/dbraw/zinc/02/22/10/572022210.db2.gz ABYGPFSBXSJRTI-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](CNC)[N@@H+]1CC[C@H](C2CC2)C1 400310146 572022938 /nfs/dbraw/zinc/02/29/38/572022938.db2.gz ABYGPFSBXSJRTI-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](CNC)[N@H+]1CC[C@H](C2CC2)C1 400310146 572022944 /nfs/dbraw/zinc/02/29/44/572022944.db2.gz ABYGPFSBXSJRTI-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])[C@@H](C)CC(C)C 300888926 572023530 /nfs/dbraw/zinc/02/35/30/572023530.db2.gz JQVNGGFLMXLDQD-UWVGGRQHSA-N 2 1 172.316 1.605 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC[C@H](C)[NH3+])C1 250207403 572023692 /nfs/dbraw/zinc/02/36/92/572023692.db2.gz CDVCERAVIWLSMY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@H+]1CC[C@H](CC[C@H](C)[NH3+])C1 250207399 572023899 /nfs/dbraw/zinc/02/38/99/572023899.db2.gz CDVCERAVIWLSMY-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP COCC[C@@H](C)[NH2+]Cc1c[nH]c(C)n1 82394901 572024486 /nfs/dbraw/zinc/02/44/86/572024486.db2.gz HIEUUXZIOYIYJQ-MRVPVSSYSA-N 2 1 197.282 1.233 10 0 ADAEMP C[C@H]([NH2+]Cc1c[nH]cn1)C1(C)CC1 82394764 572024985 /nfs/dbraw/zinc/02/49/85/572024985.db2.gz PZJHJTKKUSPYLG-QMMMGPOBSA-N 2 1 179.267 1.688 10 0 ADAEMP COCC[C@H](C)[NH2+]Cc1c[nH]c(C)n1 82394899 572025059 /nfs/dbraw/zinc/02/50/59/572025059.db2.gz HIEUUXZIOYIYJQ-QMMMGPOBSA-N 2 1 197.282 1.233 10 0 ADAEMP C[C@@H]([NH2+]Cc1c[nH]cn1)C1(C)CC1 82394766 572025667 /nfs/dbraw/zinc/02/56/67/572025667.db2.gz PZJHJTKKUSPYLG-MRVPVSSYSA-N 2 1 179.267 1.688 10 0 ADAEMP CCC[N@H+](CC1CC1)C[C@H](C)C[NH3+] 35452190 572025826 /nfs/dbraw/zinc/02/58/26/572025826.db2.gz VNDCLXJAJRHGAS-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[N@H+](CC1CC1)C[C@@H](C)C[NH3+] 35452187 572025946 /nfs/dbraw/zinc/02/59/46/572025946.db2.gz VNDCLXJAJRHGAS-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1[C@H]2CC[C@@H]1CC(=CC[NH3+])C2 69049750 572027795 /nfs/dbraw/zinc/02/77/95/572027795.db2.gz PDKXJWIOCJCVKW-AOOOYVTPSA-N 2 1 166.268 1.128 10 0 ADAEMP CC(C)CC[C@H]([NH3+])C[NH+](C)C 82405597 572027824 /nfs/dbraw/zinc/02/78/24/572027824.db2.gz FGIZJVMDZKBQGY-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP C[N@H+]1[C@H]2CC[C@@H]1CC(=CCC[NH3+])C2 69050470 572029135 /nfs/dbraw/zinc/02/91/35/572029135.db2.gz ULWUPWWWOFPFOA-PHIMTYICSA-N 2 1 180.295 1.518 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 35733646 572029745 /nfs/dbraw/zinc/02/97/45/572029745.db2.gz GPJCYOHGMMJWSQ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 35733646 572029748 /nfs/dbraw/zinc/02/97/48/572029748.db2.gz GPJCYOHGMMJWSQ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 35733647 572030110 /nfs/dbraw/zinc/03/01/10/572030110.db2.gz GPJCYOHGMMJWSQ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 35733647 572030112 /nfs/dbraw/zinc/03/01/12/572030112.db2.gz GPJCYOHGMMJWSQ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH+](CC)C[C@@]1(F)CCCNC1 219686314 572030346 /nfs/dbraw/zinc/03/03/46/572030346.db2.gz HFKARPGUHMXPRA-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP CCCCC[N@@H+](CCC(N)=[NH2+])C1CC1 42547809 572031356 /nfs/dbraw/zinc/03/13/56/572031356.db2.gz VVEDGZBFPPCADD-UHFFFAOYSA-N 2 1 197.326 1.967 10 0 ADAEMP CC[NH+](CC)C[C@]1(F)CCCNC1 219686239 572031729 /nfs/dbraw/zinc/03/17/29/572031729.db2.gz HFKARPGUHMXPRA-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH3+])C1CCCC1 35765801 572032284 /nfs/dbraw/zinc/03/22/84/572032284.db2.gz PUUIGTHUQXUVAZ-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](CCCC(N)=[NH2+])C1CCCC1 35766297 572032324 /nfs/dbraw/zinc/03/23/24/572032324.db2.gz JUNSMESZXKDDIL-UHFFFAOYSA-N 2 1 197.326 1.967 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])C1CCCC1 35765228 572033094 /nfs/dbraw/zinc/03/30/94/572033094.db2.gz RLQJOMUPXJRUDB-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)Cc1ccco1 35700883 572033135 /nfs/dbraw/zinc/03/31/35/572033135.db2.gz QHTGWGQKCYIJFC-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccsc1 35725090 572033218 /nfs/dbraw/zinc/03/32/18/572033218.db2.gz DRXZYYACNRFVJT-SECBINFHSA-N 2 1 198.335 1.775 10 0 ADAEMP CC[C@@H](C)[N@@H+](CCC(N)=[NH2+])C1CC1 42548030 572033264 /nfs/dbraw/zinc/03/32/64/572033264.db2.gz QABONSNMYANVAM-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP CCCC[NH2+]C(C)(C)C[NH3+] 33755017 572033331 /nfs/dbraw/zinc/03/33/31/572033331.db2.gz URCVHPQQWPAVGB-UHFFFAOYSA-N 2 1 144.262 1.113 10 0 ADAEMP CSCC[N@H+]1CC[C@](C)(C[NH3+])C1 235031195 572033396 /nfs/dbraw/zinc/03/33/96/572033396.db2.gz OLIVWPGPMWUODQ-SECBINFHSA-N 2 1 188.340 1.020 10 0 ADAEMP CC[N@@H+](C)C[C@@H](C[NH3+])c1ccccc1 35731398 572033499 /nfs/dbraw/zinc/03/34/99/572033499.db2.gz CDKLRIUMCQEDNS-GFCCVEGCSA-N 2 1 192.306 1.681 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1cccs1 35725553 572033911 /nfs/dbraw/zinc/03/39/11/572033911.db2.gz QZZSKCLQJWFJJO-VIFPVBQESA-N 2 1 198.335 1.775 10 0 ADAEMP CSCC[C@@H](C)[NH2+][C@H](C)C[NH3+] 235031149 572033937 /nfs/dbraw/zinc/03/39/37/572033937.db2.gz WCUGQPZQWIXLIJ-HTQZYQBOSA-N 2 1 176.329 1.065 10 0 ADAEMP CC[N@@H+](C)C[C@H](C[NH3+])c1ccccc1 35731399 572034091 /nfs/dbraw/zinc/03/40/91/572034091.db2.gz CDKLRIUMCQEDNS-LBPRGKRZSA-N 2 1 192.306 1.681 10 0 ADAEMP Cc1ccc(C[N@@H+](C)C[C@@H](C)C[NH3+])o1 35699156 572034172 /nfs/dbraw/zinc/03/41/72/572034172.db2.gz RWEBYBFUMRBIDU-VIFPVBQESA-N 2 1 196.294 1.615 10 0 ADAEMP Cc1ccc(C[N@H+](C)C[C@@H](C)C[NH3+])o1 35699156 572034174 /nfs/dbraw/zinc/03/41/74/572034174.db2.gz RWEBYBFUMRBIDU-VIFPVBQESA-N 2 1 196.294 1.615 10 0 ADAEMP C[N@H+](CCC[NH3+])Cc1ccco1 35700901 572034186 /nfs/dbraw/zinc/03/41/86/572034186.db2.gz IRENZQAMGHOYGI-UHFFFAOYSA-N 2 1 168.240 1.060 10 0 ADAEMP C[N@@H+](CCC[NH3+])Cc1ccco1 35700901 572034189 /nfs/dbraw/zinc/03/41/89/572034189.db2.gz IRENZQAMGHOYGI-UHFFFAOYSA-N 2 1 168.240 1.060 10 0 ADAEMP Cc1ccc(C[N@H+](C)CCC[NH3+])o1 35699168 572034241 /nfs/dbraw/zinc/03/42/41/572034241.db2.gz GJVAFFVTEVFGOF-UHFFFAOYSA-N 2 1 182.267 1.369 10 0 ADAEMP Cc1ccc(C[N@@H+](C)CCC[NH3+])o1 35699168 572034245 /nfs/dbraw/zinc/03/42/45/572034245.db2.gz GJVAFFVTEVFGOF-UHFFFAOYSA-N 2 1 182.267 1.369 10 0 ADAEMP CSCCCC[NH2+][C@@H](C)C[NH3+] 235034394 572034304 /nfs/dbraw/zinc/03/43/04/572034304.db2.gz DCTPRTGFKKDHJL-QMMMGPOBSA-N 2 1 176.329 1.066 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1cccs1 35725554 572034465 /nfs/dbraw/zinc/03/44/65/572034465.db2.gz QZZSKCLQJWFJJO-SECBINFHSA-N 2 1 198.335 1.775 10 0 ADAEMP CC[N@@H+](C[C@H](C)C[NH3+])C1CCCC1 35765220 572034570 /nfs/dbraw/zinc/03/45/70/572034570.db2.gz DJJROTBCFWCRNV-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH3+])C1CCCC1 35765802 572034933 /nfs/dbraw/zinc/03/49/33/572034933.db2.gz PUUIGTHUQXUVAZ-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](CCC(N)=[NH2+])C1CCCC1 35766298 572034783 /nfs/dbraw/zinc/03/47/83/572034783.db2.gz VGICAZSZGDANKV-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1ccsc1 35725088 572034890 /nfs/dbraw/zinc/03/48/90/572034890.db2.gz DRXZYYACNRFVJT-VIFPVBQESA-N 2 1 198.335 1.775 10 0 ADAEMP CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1CCCC1 35766292 572035187 /nfs/dbraw/zinc/03/51/87/572035187.db2.gz VPKVWQLBUDDKPV-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP Cc1ccc(C[N@@H+](C)C[C@H](C)C[NH3+])o1 35699158 572035194 /nfs/dbraw/zinc/03/51/94/572035194.db2.gz RWEBYBFUMRBIDU-SECBINFHSA-N 2 1 196.294 1.615 10 0 ADAEMP Cc1ccc(C[N@H+](C)C[C@H](C)C[NH3+])o1 35699158 572035198 /nfs/dbraw/zinc/03/51/98/572035198.db2.gz RWEBYBFUMRBIDU-SECBINFHSA-N 2 1 196.294 1.615 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1cccs1 35717795 572035296 /nfs/dbraw/zinc/03/52/96/572035296.db2.gz BGXBQPSVYXFVAF-UHFFFAOYSA-N 2 1 198.335 1.919 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)Cc1ccco1 35700880 572035724 /nfs/dbraw/zinc/03/57/24/572035724.db2.gz QHTGWGQKCYIJFC-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](C[C@@H](C)C[NH3+])C1CCCC1 35765218 572035717 /nfs/dbraw/zinc/03/57/17/572035717.db2.gz DJJROTBCFWCRNV-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)[N@@H+](CCOC)[C@@H](C)CN 42578512 572035806 /nfs/dbraw/zinc/03/58/06/572035806.db2.gz QQZKYESVXKTJIB-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C)[N@H+](CCOC)[C@@H](C)C[NH3+] 42578512 572035807 /nfs/dbraw/zinc/03/58/07/572035807.db2.gz QQZKYESVXKTJIB-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC1CCC([N@H+]2CC[C@@H](N)C2)CC1 42580706 572035814 /nfs/dbraw/zinc/03/58/14/572035814.db2.gz HTUAUSPTOILHRU-MOENNCHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 42580706 572035816 /nfs/dbraw/zinc/03/58/16/572035816.db2.gz HTUAUSPTOILHRU-MOENNCHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CSC(C)(C)C[NH2+][C@@H](C)C[NH3+] 235034128 572037277 /nfs/dbraw/zinc/03/72/77/572037277.db2.gz ZANRQLCTTREHEF-ZETCQYMHSA-N 2 1 176.329 1.065 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[N@H+](C)CC1CC1 235588532 572037361 /nfs/dbraw/zinc/03/73/61/572037361.db2.gz KOUNLILTMXVRRZ-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[N@@H+](C)CC1CC1 235588532 572037364 /nfs/dbraw/zinc/03/73/64/572037364.db2.gz KOUNLILTMXVRRZ-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCCC(N)=[NH2+])CC1 82489504 572037371 /nfs/dbraw/zinc/03/73/71/572037371.db2.gz GRSHXUIIQNWNTE-SNVBAGLBSA-N 2 1 197.326 1.825 10 0 ADAEMP CSC(C)(C)C[NH2+][C@H](C)C[NH3+] 235035648 572037433 /nfs/dbraw/zinc/03/74/33/572037433.db2.gz ZANRQLCTTREHEF-SSDOTTSWSA-N 2 1 176.329 1.065 10 0 ADAEMP CSCCCC[NH2+][C@H](C)C[NH3+] 235036313 572038179 /nfs/dbraw/zinc/03/81/79/572038179.db2.gz DCTPRTGFKKDHJL-MRVPVSSYSA-N 2 1 176.329 1.066 10 0 ADAEMP CC[C@H]1CCC[N@@H+](CC[C@@H](C)[NH3+])C1 36169505 572039366 /nfs/dbraw/zinc/03/93/66/572039366.db2.gz JBZYSFBSWPTAEL-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCCC(N)=[NH2+])CC1 82489506 572038977 /nfs/dbraw/zinc/03/89/77/572038977.db2.gz GRSHXUIIQNWNTE-JTQLQIEISA-N 2 1 197.326 1.825 10 0 ADAEMP CC[C@H]1CCC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 36169797 572039221 /nfs/dbraw/zinc/03/92/21/572039221.db2.gz QBJDVFRPFAGBRM-ZJUUUORDSA-N 2 1 197.326 1.680 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](CCCC(N)=[NH2+])C1 36169790 572040162 /nfs/dbraw/zinc/04/01/62/572040162.db2.gz AFVWNRZSCBODBO-SNVBAGLBSA-N 2 1 197.326 1.825 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCCC[NH3+])CC1 82488890 572040188 /nfs/dbraw/zinc/04/01/88/572040188.db2.gz AIMGNOJGELLJIX-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CC[C@H]1CCC[N@@H+](C[C@@H](C)C[NH3+])C1 36169013 572040191 /nfs/dbraw/zinc/04/01/91/572040191.db2.gz AFYKSCUSDLLWNJ-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H](C)CC1 82490497 572040204 /nfs/dbraw/zinc/04/02/04/572040204.db2.gz WGBXWZOPWDABKY-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](CCCC[NH3+])C1 36168966 572040266 /nfs/dbraw/zinc/04/02/66/572040266.db2.gz GZCJVZATVSOMKS-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CS[C@@H](C)C[NH2+]C[C@@H]1CCC[NH2+]1 235041912 572040315 /nfs/dbraw/zinc/04/03/15/572040315.db2.gz ZGURSKOBCNTHGD-IUCAKERBSA-N 2 1 188.340 1.080 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H](C)CC(C)C 42590205 572040370 /nfs/dbraw/zinc/04/03/70/572040370.db2.gz NMRARWKMICMJJI-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H]1CCC[N@@H+](CCCC(N)=[NH2+])C1 36169791 572040423 /nfs/dbraw/zinc/04/04/23/572040423.db2.gz AFVWNRZSCBODBO-JTQLQIEISA-N 2 1 197.326 1.825 10 0 ADAEMP CS[C@@H](C)C[NH2+]C[C@H]1CCC[NH2+]1 235042515 572040689 /nfs/dbraw/zinc/04/06/89/572040689.db2.gz ZGURSKOBCNTHGD-DTWKUNHWSA-N 2 1 188.340 1.080 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@H](C)CC1 82490499 572040805 /nfs/dbraw/zinc/04/08/05/572040805.db2.gz WGBXWZOPWDABKY-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCCC[NH3+])CC1 82488888 572040863 /nfs/dbraw/zinc/04/08/63/572040863.db2.gz AIMGNOJGELLJIX-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](CCC(N)=[NH2+])C1 36169788 572041033 /nfs/dbraw/zinc/04/10/33/572041033.db2.gz ROIHVKCPAVJHNZ-SECBINFHSA-N 2 1 183.299 1.434 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](CC[C@@H](C)[NH3+])C1 36169504 572041412 /nfs/dbraw/zinc/04/14/12/572041412.db2.gz JBZYSFBSWPTAEL-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP Cc1c(NC(N)=[NH2+])ccc2[nH]c[nH+]c12 38842767 572041398 /nfs/dbraw/zinc/04/13/98/572041398.db2.gz KXKOEIOYGZGLGV-UHFFFAOYSA-N 2 1 189.222 1.177 10 0 ADAEMP CC[C@H]1CCC[N@@H+](CCCC[NH3+])C1 36168967 572041528 /nfs/dbraw/zinc/04/15/28/572041528.db2.gz GZCJVZATVSOMKS-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CC(C)C[C@@H](C)C[NH2+]CC[NH3+] 300911053 572041563 /nfs/dbraw/zinc/04/15/63/572041563.db2.gz LWCAXMPKMRABHC-SECBINFHSA-N 2 1 158.289 1.217 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)CC1CCCC1 82492464 572041732 /nfs/dbraw/zinc/04/17/32/572041732.db2.gz CNKYVTGREYSTEM-JTQLQIEISA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)CC1CCCC1 82492464 572041737 /nfs/dbraw/zinc/04/17/37/572041737.db2.gz CNKYVTGREYSTEM-JTQLQIEISA-N 2 1 197.326 1.823 10 0 ADAEMP CO[C@@H]1CC[N@@H+](C/C=C/C[NH3+])[C@H](C)C1 300911747 572042551 /nfs/dbraw/zinc/04/25/51/572042551.db2.gz OYIWFQBBZZJEGX-YIZUVKHSSA-N 2 1 198.310 1.001 10 0 ADAEMP CSCC[C@H](C)[NH2+][C@@H](C)C[NH3+] 235062702 572042637 /nfs/dbraw/zinc/04/26/37/572042637.db2.gz WCUGQPZQWIXLIJ-YUMQZZPRSA-N 2 1 176.329 1.065 10 0 ADAEMP CSC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 235059377 572042742 /nfs/dbraw/zinc/04/27/42/572042742.db2.gz ZWDPZCQPTRHSNE-DTWKUNHWSA-N 2 1 188.340 1.080 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)CC1CCCC1 82493141 572042927 /nfs/dbraw/zinc/04/29/27/572042927.db2.gz PGMHPGCDEASTDE-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CO[C@@H]1CC[N@@H+](C/C=C/C[NH3+])[C@@H](C)C1 300911741 572043138 /nfs/dbraw/zinc/04/31/38/572043138.db2.gz OYIWFQBBZZJEGX-MJKAUQOVSA-N 2 1 198.310 1.001 10 0 ADAEMP C[N@@H+](CCCC(N)=[NH2+])CC1CCCC1 82492458 572043159 /nfs/dbraw/zinc/04/31/59/572043159.db2.gz OOSJMBFYHSWCOW-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP CS[C@@H](C)CC[NH2+][C@@H](C)C[NH3+] 235057443 572043194 /nfs/dbraw/zinc/04/31/94/572043194.db2.gz CYLAYBCQBJPLEU-YUMQZZPRSA-N 2 1 176.329 1.065 10 0 ADAEMP CC[N@H+]1CC[C@H](N(C)C(C)=[NH2+])C1 334138760 572043371 /nfs/dbraw/zinc/04/33/71/572043371.db2.gz HVHKNKPAMRAMQD-VIFPVBQESA-N 2 1 169.272 1.010 10 0 ADAEMP CSC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 235058676 572043782 /nfs/dbraw/zinc/04/37/82/572043782.db2.gz ZWDPZCQPTRHSNE-IUCAKERBSA-N 2 1 188.340 1.080 10 0 ADAEMP CC[N@H+]1CC[C@@H](N(C)C(C)=[NH2+])C1 334138759 572044355 /nfs/dbraw/zinc/04/43/55/572044355.db2.gz HVHKNKPAMRAMQD-SECBINFHSA-N 2 1 169.272 1.010 10 0 ADAEMP CSCC[C@H](C)[NH2+][C@H](C)C[NH3+] 235064247 572045605 /nfs/dbraw/zinc/04/56/05/572045605.db2.gz WCUGQPZQWIXLIJ-JGVFFNPUSA-N 2 1 176.329 1.065 10 0 ADAEMP CC(C)CC[N@H+]1C[C@H](C)CNC[C@H]1C 219731753 572045754 /nfs/dbraw/zinc/04/57/54/572045754.db2.gz YDQXNSXQGTXOEP-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)CCN1C[C@H](C)C[NH2+]C[C@H]1C 219731753 572045757 /nfs/dbraw/zinc/04/57/57/572045757.db2.gz YDQXNSXQGTXOEP-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560441 572046421 /nfs/dbraw/zinc/04/64/21/572046421.db2.gz ATHLCJWIQYNZIY-SDDRHHMPSA-N 2 1 198.354 1.818 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CC1 82560491 572046473 /nfs/dbraw/zinc/04/64/73/572046473.db2.gz MDNOTYJLZASCLM-ONGXEEELSA-N 2 1 182.311 1.184 10 0 ADAEMP Cc1cccc(N(C)CC[C@@H](C)[NH3+])[nH+]1 220058577 572046477 /nfs/dbraw/zinc/04/64/77/572046477.db2.gz ZPIZTPDHSOKHNY-SECBINFHSA-N 2 1 193.294 1.564 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@@H]1C 82560487 572046588 /nfs/dbraw/zinc/04/65/88/572046588.db2.gz XLLZTSOJDAEMJD-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560386 572047147 /nfs/dbraw/zinc/04/71/47/572047147.db2.gz NSNBXBYTBJMWPZ-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CC1CC1 82560488 572046627 /nfs/dbraw/zinc/04/66/27/572046627.db2.gz MDNOTYJLZASCLM-MWLCHTKSSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560389 572046638 /nfs/dbraw/zinc/04/66/38/572046638.db2.gz WJUWSSQMBHNWGT-SRVKXCTJSA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560374 572046657 /nfs/dbraw/zinc/04/66/57/572046657.db2.gz XRDUHXBOVFBBAV-UWVGGRQHSA-N 2 1 170.300 1.184 10 0 ADAEMP C[C@H]1CCCC[C@@H]1[N@H+](C)CC(N)=[NH2+] 42681797 572046857 /nfs/dbraw/zinc/04/68/57/572046857.db2.gz SVOXGEXITOWWLE-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(N)=[NH2+] 42681797 572046860 /nfs/dbraw/zinc/04/68/60/572046860.db2.gz SVOXGEXITOWWLE-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CCC(CC)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560444 572046984 /nfs/dbraw/zinc/04/69/84/572046984.db2.gz UOQNDGFLCMPUQW-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 82560442 572047061 /nfs/dbraw/zinc/04/70/61/572047061.db2.gz ATHLCJWIQYNZIY-WOPDTQHZSA-N 2 1 198.354 1.818 10 0 ADAEMP CCC(CC)[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560445 572047247 /nfs/dbraw/zinc/04/72/47/572047247.db2.gz UOQNDGFLCMPUQW-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560288 572047301 /nfs/dbraw/zinc/04/73/01/572047301.db2.gz BTKNMJCJJAKNFA-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H](C)C1CC1 82560438 572047386 /nfs/dbraw/zinc/04/73/86/572047386.db2.gz CPJCWWBNYBDBPQ-SCVCMEIPSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1C[NH2+]C[C@@H]1C 82560369 572047424 /nfs/dbraw/zinc/04/74/24/572047424.db2.gz XSWXNDAYOPIEQU-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(N)=[NH2+] 42681795 572047430 /nfs/dbraw/zinc/04/74/30/572047430.db2.gz SVOXGEXITOWWLE-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(N)=[NH2+] 42681795 572047434 /nfs/dbraw/zinc/04/74/34/572047434.db2.gz SVOXGEXITOWWLE-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP CCCC(=[NH2+])N(C)CC[NH+](C)C 82544117 572047496 /nfs/dbraw/zinc/04/74/96/572047496.db2.gz DWFSFHYHCCMEFD-UHFFFAOYSA-N 2 1 171.288 1.257 10 0 ADAEMP CS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] 235064620 572047528 /nfs/dbraw/zinc/04/75/28/572047528.db2.gz HDKAVKITHPSVFL-DJLDLDEBSA-N 2 1 188.340 1.207 10 0 ADAEMP CCCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560290 572047557 /nfs/dbraw/zinc/04/75/57/572047557.db2.gz LJBGABTWWHORQZ-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560443 572047631 /nfs/dbraw/zinc/04/76/31/572047631.db2.gz ATHLCJWIQYNZIY-SRVKXCTJSA-N 2 1 198.354 1.818 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1C 82560440 572047733 /nfs/dbraw/zinc/04/77/33/572047733.db2.gz ATHLCJWIQYNZIY-GRYCIOLGSA-N 2 1 198.354 1.818 10 0 ADAEMP CCCCC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560387 572047782 /nfs/dbraw/zinc/04/77/82/572047782.db2.gz NSNBXBYTBJMWPZ-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@@H]1C)C1CC1 82560354 572047820 /nfs/dbraw/zinc/04/78/20/572047820.db2.gz NDXGZJHPPZTOPV-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP Cc1cccc(N(C)CC[C@H](C)[NH3+])[nH+]1 220058652 572047927 /nfs/dbraw/zinc/04/79/27/572047927.db2.gz ZPIZTPDHSOKHNY-VIFPVBQESA-N 2 1 193.294 1.564 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](C)[C@@H](C)C1CC1 82560436 572047942 /nfs/dbraw/zinc/04/79/42/572047942.db2.gz CPJCWWBNYBDBPQ-JFGNBEQYSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccco1 82560520 572047998 /nfs/dbraw/zinc/04/79/98/572047998.db2.gz RIYZVEPIDQJPRS-NXEZZACHSA-N 2 1 194.278 1.225 10 0 ADAEMP CCCC[N@@H+](CC)C[C@H]1C[NH2+]C[C@@H]1C 82560291 572048002 /nfs/dbraw/zinc/04/80/02/572048002.db2.gz LJBGABTWWHORQZ-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C(=[NH2+])N(C)CC[NH+](C)C 82544122 572048034 /nfs/dbraw/zinc/04/80/34/572048034.db2.gz YIPHSXFFYIVITJ-UHFFFAOYSA-N 2 1 171.288 1.113 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1C 82560376 572048045 /nfs/dbraw/zinc/04/80/45/572048045.db2.gz UJVWGYDFCNNWHX-GHMZBOCLSA-N 2 1 184.327 1.430 10 0 ADAEMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@@H]1C)C(C)C 82560370 572048058 /nfs/dbraw/zinc/04/80/58/572048058.db2.gz KPSMWJKFVAEBRX-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 82560378 572048076 /nfs/dbraw/zinc/04/80/76/572048076.db2.gz UJVWGYDFCNNWHX-MNOVXSKESA-N 2 1 184.327 1.430 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560379 572048094 /nfs/dbraw/zinc/04/80/94/572048094.db2.gz UJVWGYDFCNNWHX-QWRGUYRKSA-N 2 1 184.327 1.430 10 0 ADAEMP C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@@H]1C 82560485 572048395 /nfs/dbraw/zinc/04/83/95/572048395.db2.gz PZDQKOQHECDXSG-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@@H]1C)C(C)C 82560360 572048254 /nfs/dbraw/zinc/04/82/54/572048254.db2.gz YCXVEPRABIZMKG-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560446 572048287 /nfs/dbraw/zinc/04/82/87/572048287.db2.gz FXOCHWYPCPNZCY-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1C[NH2+]C[C@@H]1C 82560384 572048298 /nfs/dbraw/zinc/04/82/98/572048298.db2.gz CEISZUHGDAMUEB-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560289 572048327 /nfs/dbraw/zinc/04/83/27/572048327.db2.gz BTKNMJCJJAKNFA-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP CN(CC[NH+](C)C)C(=[NH2+])C(C)(C)C 82544125 572048584 /nfs/dbraw/zinc/04/85/84/572048584.db2.gz YTCYXKZSNXZWQX-UHFFFAOYSA-N 2 1 185.315 1.503 10 0 ADAEMP CCC[N@@H+](C[C@H]1C[NH2+]C[C@@H]1C)C(C)C 82560371 572048669 /nfs/dbraw/zinc/04/86/69/572048669.db2.gz KPSMWJKFVAEBRX-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560388 572048725 /nfs/dbraw/zinc/04/87/25/572048725.db2.gz WJUWSSQMBHNWGT-WOPDTQHZSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@@H]1C 82560253 572048764 /nfs/dbraw/zinc/04/87/64/572048764.db2.gz XHNNQGOANZOZPJ-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560380 572048808 /nfs/dbraw/zinc/04/88/08/572048808.db2.gz KVIVCUNSXXRLEJ-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+](C[C@H]1C[NH2+]C[C@@H]1C)C(C)C 82560361 572048833 /nfs/dbraw/zinc/04/88/33/572048833.db2.gz YCXVEPRABIZMKG-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CC1CC1 82560489 572048856 /nfs/dbraw/zinc/04/88/56/572048856.db2.gz MDNOTYJLZASCLM-GXSJLCMTSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@@H]1C 82560382 572048860 /nfs/dbraw/zinc/04/88/60/572048860.db2.gz XULCMPDWWBOTOL-RYUDHWBXSA-N 2 1 198.354 1.820 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560377 572048865 /nfs/dbraw/zinc/04/88/65/572048865.db2.gz UJVWGYDFCNNWHX-WDEREUQCSA-N 2 1 184.327 1.430 10 0 ADAEMP CC[N@@H+](C[C@H]1C[NH2+]C[C@@H]1C)C1CC1 82560355 572048879 /nfs/dbraw/zinc/04/88/79/572048879.db2.gz NDXGZJHPPZTOPV-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@H]1C[NH2+]C[C@@H]1C 82560383 572048901 /nfs/dbraw/zinc/04/89/01/572048901.db2.gz XULCMPDWWBOTOL-NWDGAFQWSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560381 572048936 /nfs/dbraw/zinc/04/89/36/572048936.db2.gz KVIVCUNSXXRLEJ-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP CN(CC[NH+](C)C)C(=[NH2+])C1CCCC1 82544118 572048953 /nfs/dbraw/zinc/04/89/53/572048953.db2.gz NERYHWWQRONMOX-UHFFFAOYSA-N 2 1 197.326 1.647 10 0 ADAEMP CCC[N@@H+](C[C@H]1C[NH2+]C[C@@H]1C)C1CC1 82560373 572048995 /nfs/dbraw/zinc/04/89/95/572048995.db2.gz AOQUFHWWOSNJLP-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccco1 82560523 572049064 /nfs/dbraw/zinc/04/90/64/572049064.db2.gz RIYZVEPIDQJPRS-UWVGGRQHSA-N 2 1 194.278 1.225 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CC(C)(C)C 82560790 572049183 /nfs/dbraw/zinc/04/91/83/572049183.db2.gz OEKRVBVVVPWUKB-GHMZBOCLSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CC1CCC1 82560865 572049320 /nfs/dbraw/zinc/04/93/20/572049320.db2.gz IJMGCLIZXHDXHW-CMPLNLGQSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CC(C)(C)C 82560791 572049334 /nfs/dbraw/zinc/04/93/34/572049334.db2.gz OEKRVBVVVPWUKB-WDEREUQCSA-N 2 1 198.354 1.820 10 0 ADAEMP CSC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 235072292 572049386 /nfs/dbraw/zinc/04/93/86/572049386.db2.gz ZWDPZCQPTRHSNE-BDAKNGLRSA-N 2 1 188.340 1.080 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C 82560607 572049727 /nfs/dbraw/zinc/04/97/27/572049727.db2.gz BNORCFWBUQAJKW-NWDGAFQWSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCCC[C@H]21 687888118 572049790 /nfs/dbraw/zinc/04/97/90/572049790.db2.gz APODPQBRBQSLRS-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCCC[C@H]21 687888118 572049797 /nfs/dbraw/zinc/04/97/97/572049797.db2.gz APODPQBRBQSLRS-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CCC1 82560866 572049837 /nfs/dbraw/zinc/04/98/37/572049837.db2.gz IJMGCLIZXHDXHW-PWSUYJOCSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82560609 572049990 /nfs/dbraw/zinc/04/99/90/572049990.db2.gz BNORCFWBUQAJKW-RYUDHWBXSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@@H]2C)C1 82560577 572049955 /nfs/dbraw/zinc/04/99/55/572049955.db2.gz XHLQFFYAZLVRJW-DCAQKATOSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCCC[C@H]21 687888115 572050056 /nfs/dbraw/zinc/05/00/56/572050056.db2.gz APODPQBRBQSLRS-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@H]2CCCCC[C@H]21 687888115 572050060 /nfs/dbraw/zinc/05/00/60/572050060.db2.gz APODPQBRBQSLRS-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 82560608 572050166 /nfs/dbraw/zinc/05/01/66/572050166.db2.gz BNORCFWBUQAJKW-NEPJUHHUSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCCC[C@@H]21 687888122 572050223 /nfs/dbraw/zinc/05/02/23/572050223.db2.gz APODPQBRBQSLRS-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@H]2CCCCC[C@@H]21 687888122 572050227 /nfs/dbraw/zinc/05/02/27/572050227.db2.gz APODPQBRBQSLRS-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1C 82560606 572050395 /nfs/dbraw/zinc/05/03/95/572050395.db2.gz BNORCFWBUQAJKW-VXGBXAGGSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(C)(C)C 82560793 572050403 /nfs/dbraw/zinc/05/04/03/572050403.db2.gz OEKRVBVVVPWUKB-QWRGUYRKSA-N 2 1 198.354 1.820 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 388309892 572050456 /nfs/dbraw/zinc/05/04/56/572050456.db2.gz OOKPXCPODMRLHN-ZSZRGSJWSA-N 2 1 182.311 1.622 10 0 ADAEMP C[N@H+]1CC[C@H]2CC[C@H]([NH3+])C[C@H]2C1 34064427 572050622 /nfs/dbraw/zinc/05/06/22/572050622.db2.gz ZOABPDGLBFOLMU-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H](CC[NH+](C)C)[NH2+]C/C=C/Cl 235069463 572050821 /nfs/dbraw/zinc/05/08/21/572050821.db2.gz SOXUAVGBVCFHGA-DNQSNQRASA-N 2 1 190.718 1.669 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](C)CC1CCC1 82560864 572050893 /nfs/dbraw/zinc/05/08/93/572050893.db2.gz IJMGCLIZXHDXHW-ZYHUDNBSSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687888120 572050933 /nfs/dbraw/zinc/05/09/33/572050933.db2.gz APODPQBRBQSLRS-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCCC[C@@H]21 687888120 572050936 /nfs/dbraw/zinc/05/09/36/572050936.db2.gz APODPQBRBQSLRS-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CCC1 82560867 572051073 /nfs/dbraw/zinc/05/10/73/572051073.db2.gz IJMGCLIZXHDXHW-JQWIXIFHSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(C)(C)C 82560792 572051248 /nfs/dbraw/zinc/05/12/48/572051248.db2.gz OEKRVBVVVPWUKB-MNOVXSKESA-N 2 1 198.354 1.820 10 0 ADAEMP CSC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 235072901 572051608 /nfs/dbraw/zinc/05/16/08/572051608.db2.gz ZWDPZCQPTRHSNE-RKDXNWHRSA-N 2 1 188.340 1.080 10 0 ADAEMP CS[C@H](C)C[NH2+]C[C@@H]1CCC[NH2+]1 235076821 572051975 /nfs/dbraw/zinc/05/19/75/572051975.db2.gz ZGURSKOBCNTHGD-BDAKNGLRSA-N 2 1 188.340 1.080 10 0 ADAEMP C[C@H](C[NH3+])CC[N@H+]1CCC[C@@H]1C 220082391 572052410 /nfs/dbraw/zinc/05/24/10/572052410.db2.gz BUAGTYJGAZIESG-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCOCC[N@@H+](CC)CCCC[NH3+] 82536696 572052809 /nfs/dbraw/zinc/05/28/09/572052809.db2.gz CLSYMLCPZCSPTI-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP CCOCC[N@H+](CC)[C@H](C)[C@@H](C)[NH3+] 82536980 572052918 /nfs/dbraw/zinc/05/29/18/572052918.db2.gz JEEHCNXFWWWMCZ-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](CC)[C@H](C)[C@@H](C)[NH3+] 82536980 572052922 /nfs/dbraw/zinc/05/29/22/572052922.db2.gz JEEHCNXFWWWMCZ-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 388309891 572053217 /nfs/dbraw/zinc/05/32/17/572053217.db2.gz OOKPXCPODMRLHN-NBLPHYOQSA-N 2 1 182.311 1.622 10 0 ADAEMP CS[C@H](C)C[NH2+]C[C@H]1CCC[NH2+]1 235077468 572053366 /nfs/dbraw/zinc/05/33/66/572053366.db2.gz ZGURSKOBCNTHGD-RKDXNWHRSA-N 2 1 188.340 1.080 10 0 ADAEMP CCOCC[N@@H+](CC)[C@@H](CC)C[NH3+] 82536702 572054041 /nfs/dbraw/zinc/05/40/41/572054041.db2.gz BQJJVSIRNKNQEA-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 82536978 572053492 /nfs/dbraw/zinc/05/34/92/572053492.db2.gz JEEHCNXFWWWMCZ-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](CC)[C@@H](C)[C@@H](C)[NH3+] 82536978 572053495 /nfs/dbraw/zinc/05/34/95/572053495.db2.gz JEEHCNXFWWWMCZ-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@H+](CC)[C@H](CC)C[NH3+] 82536704 572053966 /nfs/dbraw/zinc/05/39/66/572053966.db2.gz BQJJVSIRNKNQEA-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@@H+](CC)[C@H](CC)C[NH3+] 82536704 572053967 /nfs/dbraw/zinc/05/39/67/572053967.db2.gz BQJJVSIRNKNQEA-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](CC)[C@@H](CC)C[NH3+] 82536702 572054038 /nfs/dbraw/zinc/05/40/38/572054038.db2.gz BQJJVSIRNKNQEA-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCN(CC[NH3+])c1[nH+]ccn1CC 82592066 572056262 /nfs/dbraw/zinc/05/62/62/572056262.db2.gz ZVIJOTJWNURNLE-UHFFFAOYSA-N 2 1 196.298 1.078 10 0 ADAEMP CC(C)C[C@@H](C)[C@H](C[NH3+])[NH2+]C(C)C 300921860 572057307 /nfs/dbraw/zinc/05/73/07/572057307.db2.gz MYVQSXXTEYUTAE-MNOVXSKESA-N 2 1 186.343 1.994 10 0 ADAEMP CC(C)C[C@H](C)[C@@H](C[NH3+])[NH2+]C(C)C 300921867 572057338 /nfs/dbraw/zinc/05/73/38/572057338.db2.gz MYVQSXXTEYUTAE-WDEREUQCSA-N 2 1 186.343 1.994 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)C(C)C 36677454 572057458 /nfs/dbraw/zinc/05/74/58/572057458.db2.gz VDNUUUDYGMITBN-VIFPVBQESA-N 2 1 158.289 1.454 10 0 ADAEMP CC(C)C[C@H](C)[C@H](C[NH3+])[NH2+]C(C)C 300921863 572057479 /nfs/dbraw/zinc/05/74/79/572057479.db2.gz MYVQSXXTEYUTAE-QWRGUYRKSA-N 2 1 186.343 1.994 10 0 ADAEMP CC(C)C[C@@H](C)[C@@H](C[NH3+])[NH2+]C(C)C 300921857 572057558 /nfs/dbraw/zinc/05/75/58/572057558.db2.gz MYVQSXXTEYUTAE-GHMZBOCLSA-N 2 1 186.343 1.994 10 0 ADAEMP CC[C@@H](CC[NH3+])n1cc[nH+]c1C 36677696 572057703 /nfs/dbraw/zinc/05/77/03/572057703.db2.gz OEGPFHBWOZNEEY-VIFPVBQESA-N 2 1 167.256 1.491 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@H](C)[NH3+])C1 250220614 572057722 /nfs/dbraw/zinc/05/77/22/572057722.db2.gz DSPVKFKWVNYZHR-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 36678131 572057737 /nfs/dbraw/zinc/05/77/37/572057737.db2.gz APAHFUKXFKGBJR-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@@H+]1CC(F)F 82596841 572057741 /nfs/dbraw/zinc/05/77/41/572057741.db2.gz FYLRNOKGTRAGQJ-MRVPVSSYSA-N 2 1 192.253 1.455 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CC(F)F 82596841 572057743 /nfs/dbraw/zinc/05/77/43/572057743.db2.gz FYLRNOKGTRAGQJ-MRVPVSSYSA-N 2 1 192.253 1.455 10 0 ADAEMP CCCC[N@@H+](C)[C@H](CC)CC[NH3+] 36677520 572057795 /nfs/dbraw/zinc/05/77/95/572057795.db2.gz YCAVBXBXKSUJFA-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]1CCC[NH3+] 82596602 572058101 /nfs/dbraw/zinc/05/81/01/572058101.db2.gz SANYBRXNXRCKHN-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 36678138 572058194 /nfs/dbraw/zinc/05/81/94/572058194.db2.gz INCBKEXMLYPHII-MRVPVSSYSA-N 2 1 171.288 1.290 10 0 ADAEMP CC[C@H](CC[NH3+])n1cc[nH+]c1C 36677697 572058368 /nfs/dbraw/zinc/05/83/68/572058368.db2.gz OEGPFHBWOZNEEY-SECBINFHSA-N 2 1 167.256 1.491 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CC1CC1 82596702 572058369 /nfs/dbraw/zinc/05/83/69/572058369.db2.gz WJTPEUXXXLUNGL-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1CCC[NH3+] 82596798 572058715 /nfs/dbraw/zinc/05/87/15/572058715.db2.gz KUGBKRXQAKMLRR-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])n1cc[nH+]c1C 36678759 572058738 /nfs/dbraw/zinc/05/87/38/572058738.db2.gz UQYKMKSVPZISHK-MRVPVSSYSA-N 2 1 180.255 1.469 10 0 ADAEMP CC(C)c1[nH+]ccn1C[C@@H](C)C(N)=[NH2+] 36678808 572059254 /nfs/dbraw/zinc/05/92/54/572059254.db2.gz IPPWVGZSZYGUDF-MRVPVSSYSA-N 2 1 194.282 1.579 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@@H]1CCC[NH3+] 82596612 572059270 /nfs/dbraw/zinc/05/92/70/572059270.db2.gz AUKBOAKYMLGBSI-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H]1CCC[NH3+] 82596614 572059311 /nfs/dbraw/zinc/05/93/11/572059311.db2.gz AUKBOAKYMLGBSI-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])n1cc[nH+]c1C 36678758 572059414 /nfs/dbraw/zinc/05/94/14/572059414.db2.gz UQYKMKSVPZISHK-QMMMGPOBSA-N 2 1 180.255 1.469 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@H]1CCC[NH3+] 82596605 572059494 /nfs/dbraw/zinc/05/94/94/572059494.db2.gz SANYBRXNXRCKHN-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CC1CC1 82596704 572059540 /nfs/dbraw/zinc/05/95/40/572059540.db2.gz WJTPEUXXXLUNGL-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@@H+](CCC(N)=[NH2+])C1CCCCCC1 36328645 572059824 /nfs/dbraw/zinc/05/98/24/572059824.db2.gz LZOAWXCNDPGEHD-UHFFFAOYSA-N 2 1 197.326 1.967 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@H](C)C1 36677448 572059919 /nfs/dbraw/zinc/05/99/19/572059919.db2.gz HUIOVIGTALHARD-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[N@@H+](C)C1CCCCC1)C(N)=[NH2+] 36678252 572060067 /nfs/dbraw/zinc/06/00/67/572060067.db2.gz JYLQUIZLJRXTMZ-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CCC[C@H](C)C1 36677978 572060310 /nfs/dbraw/zinc/06/03/10/572060310.db2.gz XNAZLZUETNNZFN-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CCCC[N@@H+](CC)C[C@@H](C)C(N)=[NH2+] 36678208 572060317 /nfs/dbraw/zinc/06/03/17/572060317.db2.gz SLZJJIJRDQTQCN-SECBINFHSA-N 2 1 185.315 1.680 10 0 ADAEMP C[C@H](C[N@@H+](C)C1CCCCC1)C(N)=[NH2+] 36678253 572060356 /nfs/dbraw/zinc/06/03/56/572060356.db2.gz JYLQUIZLJRXTMZ-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCCC[C@@H]1C 36677932 572060523 /nfs/dbraw/zinc/06/05/23/572060523.db2.gz LSBRHUYWXAKBFT-UWVGGRQHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)C(C)C 36677455 572060498 /nfs/dbraw/zinc/06/04/98/572060498.db2.gz VDNUUUDYGMITBN-SECBINFHSA-N 2 1 158.289 1.454 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](CC)CC[NH3+] 36677519 572060683 /nfs/dbraw/zinc/06/06/83/572060683.db2.gz YCAVBXBXKSUJFA-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CC 36731952 572060964 /nfs/dbraw/zinc/06/09/64/572060964.db2.gz XYRNYZQDCGOAPE-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](CCC[NH3+])C(C)C 36732045 572061198 /nfs/dbraw/zinc/06/11/98/572061198.db2.gz FEDDJHRRWOMXHR-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H]2C=CCC2)C1 711658506 572061291 /nfs/dbraw/zinc/06/12/91/572061291.db2.gz YZSRSDZRGHLDIR-RYUDHWBXSA-N 2 1 194.322 1.494 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1C=CCC1 711658378 572061354 /nfs/dbraw/zinc/06/13/54/572061354.db2.gz RYUNXOWPKDKTHL-UTUOFQBUSA-N 2 1 194.322 1.764 10 0 ADAEMP Cc1ccc2c(c1)C[C@@]([NH3+])(C[NH3+])CC2 34180045 572061384 /nfs/dbraw/zinc/06/13/84/572061384.db2.gz FECPQDXTBCXMNG-GFCCVEGCSA-N 2 1 190.290 1.140 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2C=CCC2)C1 711658497 572061427 /nfs/dbraw/zinc/06/14/27/572061427.db2.gz YZSRSDZRGHLDIR-NEPJUHHUSA-N 2 1 194.322 1.494 10 0 ADAEMP CCC(CC)[N@@H+](C)CCCC(N)=[NH2+] 36789187 572061448 /nfs/dbraw/zinc/06/14/48/572061448.db2.gz NUWVXZWFBMZXDN-UHFFFAOYSA-N 2 1 185.315 1.823 10 0 ADAEMP CC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C 36732044 572061458 /nfs/dbraw/zinc/06/14/58/572061458.db2.gz FEDDJHRRWOMXHR-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1C=CCC1 711658374 572061545 /nfs/dbraw/zinc/06/15/45/572061545.db2.gz RYUNXOWPKDKTHL-IJLUTSLNSA-N 2 1 194.322 1.764 10 0 ADAEMP CCCCC[N@@H+](CC)CCC[NH3+] 36731785 572061612 /nfs/dbraw/zinc/06/16/12/572061612.db2.gz DSPCKEGLSRCNFO-UHFFFAOYSA-N 2 1 172.316 1.847 10 0 ADAEMP CC[C@@H](C)[N@@H+](CCC[NH3+])C1CC1 36732138 572061743 /nfs/dbraw/zinc/06/17/43/572061743.db2.gz DXSBGQPJMCERFT-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC(CC)[N@@H+](C)C1CC[NH2+]CC1 36789196 572061859 /nfs/dbraw/zinc/06/18/59/572061859.db2.gz GLCADNSOOSCNGJ-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C=CCC2)C1 711658509 572062118 /nfs/dbraw/zinc/06/21/18/572062118.db2.gz YZSRSDZRGHLDIR-VXGBXAGGSA-N 2 1 194.322 1.494 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1C=CCC1 711658379 572062956 /nfs/dbraw/zinc/06/29/56/572062956.db2.gz RYUNXOWPKDKTHL-WOPDTQHZSA-N 2 1 194.322 1.764 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])[C@H](C)CC 36731953 572062976 /nfs/dbraw/zinc/06/29/76/572062976.db2.gz XYRNYZQDCGOAPE-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CCC(CC)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 36789190 572063032 /nfs/dbraw/zinc/06/30/32/572063032.db2.gz FPBYCBJUCWLRIS-MRVPVSSYSA-N 2 1 185.315 1.679 10 0 ADAEMP CCCC[N@@H+](CCC)CCC[NH3+] 36731884 572063096 /nfs/dbraw/zinc/06/30/96/572063096.db2.gz SCVPEQUZVYYFNC-UHFFFAOYSA-N 2 1 172.316 1.847 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1C=CCC1 711658373 572063161 /nfs/dbraw/zinc/06/31/61/572063161.db2.gz RYUNXOWPKDKTHL-GRYCIOLGSA-N 2 1 194.322 1.764 10 0 ADAEMP CC[C@H](C)[N@@H+](CCC[NH3+])C1CC1 36732139 572063180 /nfs/dbraw/zinc/06/31/80/572063180.db2.gz DXSBGQPJMCERFT-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[N@@H+](CCC[NH3+])C(C)C 36731976 572063308 /nfs/dbraw/zinc/06/33/08/572063308.db2.gz AUXUSAQCEZDYNB-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP Cc1cnc(C[NH2+]C[C@@H](C)C[NH3+])s1 235097850 572063439 /nfs/dbraw/zinc/06/34/39/572063439.db2.gz FYLINXFCTTWFIY-ZETCQYMHSA-N 2 1 199.323 1.136 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 36786673 572064008 /nfs/dbraw/zinc/06/40/08/572064008.db2.gz UKZMSRZTVZZWPW-VHSXEESVSA-N 2 1 172.316 1.558 10 0 ADAEMP [NH3+]CCC[N@@H+](CC1CC1)C1CCCC1 36765323 572064073 /nfs/dbraw/zinc/06/40/73/572064073.db2.gz LXVMBPLTVZQWPE-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCCC[NH3+] 36783161 572064105 /nfs/dbraw/zinc/06/41/05/572064105.db2.gz LWMTZWWKOMFZBD-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)C[C@@H](C)C(N)=[NH2+] 36785547 572064328 /nfs/dbraw/zinc/06/43/28/572064328.db2.gz UPHUOXSETUAOBJ-SFYZADRCSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1C[C@@H]1CN(C)[C@@H]1CCC[C@@H]1[NH3+] 82648320 572065701 /nfs/dbraw/zinc/06/57/01/572065701.db2.gz LEPNZVTZPNJJAI-ZRUFSTJUSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 36787252 572064645 /nfs/dbraw/zinc/06/46/45/572064645.db2.gz DBHKXBNMDQAPKC-ZJUUUORDSA-N 2 1 172.316 1.700 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCCC[NH3+] 36783162 572064601 /nfs/dbraw/zinc/06/46/01/572064601.db2.gz LWMTZWWKOMFZBD-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC(CC)[N@@H+](C)CCCC[NH3+] 36788562 572064687 /nfs/dbraw/zinc/06/46/87/572064687.db2.gz OLDSQEZKDMEIDJ-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CCC(CC)[N@@H+](C)CC[C@H](C)[NH3+] 36789037 572065669 /nfs/dbraw/zinc/06/56/69/572065669.db2.gz XMNIAVPOZGJDEE-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+](C)Cc1cccnc1 36770851 572064789 /nfs/dbraw/zinc/06/47/89/572064789.db2.gz PGIRETZCYHJLBK-SNVBAGLBSA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1cccnc1 36770851 572064793 /nfs/dbraw/zinc/06/47/93/572064793.db2.gz PGIRETZCYHJLBK-SNVBAGLBSA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCCC(N)=[NH2+] 36785541 572064841 /nfs/dbraw/zinc/06/48/41/572064841.db2.gz OHTGWRQEXQQZEE-MRVPVSSYSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCC(N)=[NH2+] 36785539 572065226 /nfs/dbraw/zinc/06/52/26/572065226.db2.gz AOHPEBCMAAHXBO-SSDOTTSWSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)Cc1ccccn1 36777324 572065323 /nfs/dbraw/zinc/06/53/23/572065323.db2.gz PULQGIKXTWCZGF-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccn1 36777324 572065326 /nfs/dbraw/zinc/06/53/26/572065326.db2.gz PULQGIKXTWCZGF-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1CC1 36783195 572065512 /nfs/dbraw/zinc/06/55/12/572065512.db2.gz KVQQOOONPCBDQD-IUCAKERBSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC(CC)[N@@H+](C)C[C@H](C)C[NH3+] 36788584 572065610 /nfs/dbraw/zinc/06/56/10/572065610.db2.gz RPFHUVPDEKXTAN-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC(CC)[N@@H+](C)C[C@@H](C)C[NH3+] 36788583 572065656 /nfs/dbraw/zinc/06/56/56/572065656.db2.gz RPFHUVPDEKXTAN-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCCC(N)=[NH2+] 36785540 572065902 /nfs/dbraw/zinc/06/59/02/572065902.db2.gz OHTGWRQEXQQZEE-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)[C@@H](C)C1CC1 36783198 572066027 /nfs/dbraw/zinc/06/60/27/572066027.db2.gz XAYCUNMPNSWENR-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)N(C)C[C@@H]1C[C@@H]1C 82648317 572066051 /nfs/dbraw/zinc/06/60/51/572066051.db2.gz HFVLKOQIHUQBOH-NAKRPEOUSA-N 2 1 184.327 1.700 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648284 572066067 /nfs/dbraw/zinc/06/60/67/572066067.db2.gz DCVGJHUDCSLXSK-AEJSXWLSSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648284 572066070 /nfs/dbraw/zinc/06/60/70/572066070.db2.gz DCVGJHUDCSLXSK-AEJSXWLSSA-N 2 1 170.300 1.182 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+](C)Cc1cccnc1 36770850 572066091 /nfs/dbraw/zinc/06/60/91/572066091.db2.gz PGIRETZCYHJLBK-JTQLQIEISA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1cccnc1 36770850 572066093 /nfs/dbraw/zinc/06/60/93/572066093.db2.gz PGIRETZCYHJLBK-JTQLQIEISA-N 2 1 193.294 1.108 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)[C@@H](C)C1CC1 36783197 572066118 /nfs/dbraw/zinc/06/61/18/572066118.db2.gz XAYCUNMPNSWENR-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)N(C)C[C@@H]1C[C@@H]1C 82648316 572066135 /nfs/dbraw/zinc/06/61/35/572066135.db2.gz HFVLKOQIHUQBOH-ZRUFSTJUSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1ccncc1 36775833 572066140 /nfs/dbraw/zinc/06/61/40/572066140.db2.gz KXEUXRMOAATFFO-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1ccncc1 36775833 572066141 /nfs/dbraw/zinc/06/61/41/572066141.db2.gz KXEUXRMOAATFFO-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 36787251 572066168 /nfs/dbraw/zinc/06/61/68/572066168.db2.gz DBHKXBNMDQAPKC-NXEZZACHSA-N 2 1 172.316 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 36786674 572066214 /nfs/dbraw/zinc/06/62/14/572066214.db2.gz UKZMSRZTVZZWPW-UWVGGRQHSA-N 2 1 172.316 1.558 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1ccccn1 36777323 572066233 /nfs/dbraw/zinc/06/62/33/572066233.db2.gz PULQGIKXTWCZGF-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1ccccn1 36777323 572066243 /nfs/dbraw/zinc/06/62/43/572066243.db2.gz PULQGIKXTWCZGF-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP CCC[C@H](C[N@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648264 572066253 /nfs/dbraw/zinc/06/62/53/572066253.db2.gz VMFXAOGSJQPTHZ-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648264 572066258 /nfs/dbraw/zinc/06/62/58/572066258.db2.gz VMFXAOGSJQPTHZ-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 36783154 572066290 /nfs/dbraw/zinc/06/62/90/572066290.db2.gz DKLLZACFYUSLBG-YUSALJHKSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+](C)CCC[C@@H](C)[NH3+] 82648276 572066315 /nfs/dbraw/zinc/06/63/15/572066315.db2.gz RZZMYGXCSNWTOX-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 36785260 572066323 /nfs/dbraw/zinc/06/63/23/572066323.db2.gz JGYWLZGEULZNDN-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccncc1 36771904 572066403 /nfs/dbraw/zinc/06/64/03/572066403.db2.gz NOXMKZXCHWWLGA-SNVBAGLBSA-N 2 1 193.294 1.108 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648447 572066426 /nfs/dbraw/zinc/06/64/26/572066426.db2.gz FFRRUSSGTKLDEU-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648447 572066428 /nfs/dbraw/zinc/06/64/28/572066428.db2.gz FFRRUSSGTKLDEU-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 82648653 572066556 /nfs/dbraw/zinc/06/65/56/572066556.db2.gz BOOYPYGKRHZMHP-PWSUYJOCSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C[C@H]1C[C@H]1C 82648405 572066562 /nfs/dbraw/zinc/06/65/62/572066562.db2.gz NRHDALLRFXKLNQ-IJLUTSLNSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+](C)Cc1ccccn1 36777110 572066631 /nfs/dbraw/zinc/06/66/31/572066631.db2.gz JFBQRUKVTIFAIW-JTQLQIEISA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1ccccn1 36777110 572066634 /nfs/dbraw/zinc/06/66/34/572066634.db2.gz JFBQRUKVTIFAIW-JTQLQIEISA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)Cc1ccncc1 36771903 572066672 /nfs/dbraw/zinc/06/66/72/572066672.db2.gz NOXMKZXCHWWLGA-JTQLQIEISA-N 2 1 193.294 1.108 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1cccnc1 36771063 572066696 /nfs/dbraw/zinc/06/66/96/572066696.db2.gz STNAGWIFOXIWCA-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1cccnc1 36771063 572066697 /nfs/dbraw/zinc/06/66/97/572066697.db2.gz STNAGWIFOXIWCA-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)C[C@H](C)C[NH3+] 36783196 572066770 /nfs/dbraw/zinc/06/67/70/572066770.db2.gz KVQQOOONPCBDQD-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H]1C[C@H]1CN(C)[C@@H]1CCCC[C@@H]1[NH3+] 82648452 572066785 /nfs/dbraw/zinc/06/67/85/572066785.db2.gz KMIQJGWGOSDMJD-FIQHERPVSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CC1CC[NH2+]CC1 82648652 572066796 /nfs/dbraw/zinc/06/67/96/572066796.db2.gz BOOYPYGKRHZMHP-CMPLNLGQSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@@H](C[N@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648501 572066800 /nfs/dbraw/zinc/06/68/00/572066800.db2.gz YCBIDYIOTVMTER-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648501 572066804 /nfs/dbraw/zinc/06/68/04/572066804.db2.gz YCBIDYIOTVMTER-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](C)C[C@@H]1C[C@@H]1C 82648766 572066860 /nfs/dbraw/zinc/06/68/60/572066860.db2.gz URVOMJSNLJEBKR-XHNCKOQMSA-N 2 1 183.299 1.289 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](C)C[C@@H]1C[C@@H]1C 82648766 572066863 /nfs/dbraw/zinc/06/68/63/572066863.db2.gz URVOMJSNLJEBKR-XHNCKOQMSA-N 2 1 183.299 1.289 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)[C@@H](C)C1CC1 36785544 572066889 /nfs/dbraw/zinc/06/68/89/572066889.db2.gz TUVIQVTWYQUNAT-WPRPVWTQSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H](C[N@@H+](C)[C@@H](C)C1CC1)C(N)=[NH2+] 36785546 572066896 /nfs/dbraw/zinc/06/68/96/572066896.db2.gz UPHUOXSETUAOBJ-YUMQZZPRSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCC(N)=[NH2+] 82648767 572066935 /nfs/dbraw/zinc/06/69/35/572066935.db2.gz VLLSYOMNFALWPX-RKDXNWHRSA-N 2 1 183.299 1.290 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)N(C)C[C@@H]1C[C@@H]1C 82648318 572066955 /nfs/dbraw/zinc/06/69/55/572066955.db2.gz HFVLKOQIHUQBOH-XWLWVQCSSA-N 2 1 184.327 1.700 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+](C)C[C@H]1C[C@@H]1C 82648282 572066983 /nfs/dbraw/zinc/06/69/83/572066983.db2.gz DCVGJHUDCSLXSK-IVZWLZJFSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+](C)C[C@H]1C[C@@H]1C 82648282 572066985 /nfs/dbraw/zinc/06/69/85/572066985.db2.gz DCVGJHUDCSLXSK-IVZWLZJFSA-N 2 1 170.300 1.182 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCC(N)=[NH2+] 82648768 572067038 /nfs/dbraw/zinc/06/70/38/572067038.db2.gz VLLSYOMNFALWPX-DTWKUNHWSA-N 2 1 183.299 1.290 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)N(C)C[C@@H]1C[C@@H]1C 82648315 572067094 /nfs/dbraw/zinc/06/70/94/572067094.db2.gz HFVLKOQIHUQBOH-VLEAKVRGSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)CCCC[NH3+] 36786638 572067106 /nfs/dbraw/zinc/06/71/06/572067106.db2.gz SNJAUEOUJUHTSS-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1CC 82647064 572067192 /nfs/dbraw/zinc/06/71/92/572067192.db2.gz SKKQJUPIRCOORK-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1CC 82647064 572067193 /nfs/dbraw/zinc/06/71/93/572067193.db2.gz SKKQJUPIRCOORK-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CC1CC[NH2+]CC1 82648654 572067226 /nfs/dbraw/zinc/06/72/26/572067226.db2.gz BOOYPYGKRHZMHP-JQWIXIFHSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCC(N)=[NH2+] 36785538 572067440 /nfs/dbraw/zinc/06/74/40/572067440.db2.gz AOHPEBCMAAHXBO-ZETCQYMHSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H](N)C(C)(C)C 82648259 572067569 /nfs/dbraw/zinc/06/75/69/572067569.db2.gz VAQWJLWULTVDKP-MXWKQRLJSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+](C)C[C@H]([NH3+])C(C)(C)C 82648259 572067573 /nfs/dbraw/zinc/06/75/73/572067573.db2.gz VAQWJLWULTVDKP-MXWKQRLJSA-N 2 1 198.354 1.948 10 0 ADAEMP [NH3+]CCC[N@@H+](CC1CC1)C1CC1 36765322 572067658 /nfs/dbraw/zinc/06/76/58/572067658.db2.gz NGBFOXWAKDJQCZ-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)C[C@@H]1C[C@@H]1C 82648765 572067626 /nfs/dbraw/zinc/06/76/26/572067626.db2.gz URVOMJSNLJEBKR-CIUDSAMLSA-N 2 1 183.299 1.289 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)C[C@@H]1C[C@@H]1C 82648765 572067630 /nfs/dbraw/zinc/06/76/30/572067630.db2.gz URVOMJSNLJEBKR-CIUDSAMLSA-N 2 1 183.299 1.289 10 0 ADAEMP CN[C@H](C)[C@@H]1CCCC[N@H+]1CC1CC1 82646969 572068013 /nfs/dbraw/zinc/06/80/13/572068013.db2.gz SBBZKQARMAFAIU-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCCC(N)=[NH2+] 82648772 572068150 /nfs/dbraw/zinc/06/81/50/572068150.db2.gz RJAZAOYOMUBGGQ-VHSXEESVSA-N 2 1 197.326 1.680 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648457 572068155 /nfs/dbraw/zinc/06/81/55/572068155.db2.gz VIFOTGVKNFAMJV-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648457 572068157 /nfs/dbraw/zinc/06/81/57/572068157.db2.gz VIFOTGVKNFAMJV-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C[C@H]1C[C@@H]1C 82648406 572068182 /nfs/dbraw/zinc/06/81/82/572068182.db2.gz NRHDALLRFXKLNQ-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C[C@@H]1C[C@H]1C 82648407 572068187 /nfs/dbraw/zinc/06/81/87/572068187.db2.gz NRHDALLRFXKLNQ-UTUOFQBUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1CC 82647063 572068206 /nfs/dbraw/zinc/06/82/06/572068206.db2.gz SKKQJUPIRCOORK-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1CC 82647063 572068208 /nfs/dbraw/zinc/06/82/08/572068208.db2.gz SKKQJUPIRCOORK-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[N@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648263 572068213 /nfs/dbraw/zinc/06/82/13/572068213.db2.gz VMFXAOGSJQPTHZ-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)[NH2+]C 82648263 572068216 /nfs/dbraw/zinc/06/82/16/572068216.db2.gz VMFXAOGSJQPTHZ-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[C@H]1CN(C)[C@@H]1CCC[C@@H]1[NH3+] 82648322 572068262 /nfs/dbraw/zinc/06/82/62/572068262.db2.gz LEPNZVTZPNJJAI-XWLWVQCSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@H]1CN(C)[C@@H]1CCC[C@@H]1[NH3+] 82648321 572068307 /nfs/dbraw/zinc/06/83/07/572068307.db2.gz LEPNZVTZPNJJAI-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 36790842 572068331 /nfs/dbraw/zinc/06/83/31/572068331.db2.gz HMYOYOMXPWEJQA-BDAKNGLRSA-N 2 1 185.315 1.679 10 0 ADAEMP C[C@H]1C[C@@H]1CN(C)[C@@H]1CCCC[C@@H]1[NH3+] 82648450 572068346 /nfs/dbraw/zinc/06/83/46/572068346.db2.gz KMIQJGWGOSDMJD-WHOHXGKFSA-N 2 1 196.338 1.844 10 0 ADAEMP CN[C@@H](C)[C@@H]1CCCC[N@H+]1CC1CC1 82646968 572068388 /nfs/dbraw/zinc/06/83/88/572068388.db2.gz SBBZKQARMAFAIU-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1CC 82647065 572068400 /nfs/dbraw/zinc/06/84/00/572068400.db2.gz SKKQJUPIRCOORK-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CCCC(N)=[NH2+] 36790827 572068402 /nfs/dbraw/zinc/06/84/02/572068402.db2.gz LICARDBJEODWGX-SECBINFHSA-N 2 1 185.315 1.823 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1CC 82647065 572068403 /nfs/dbraw/zinc/06/84/03/572068403.db2.gz SKKQJUPIRCOORK-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C)[N@H+](C)CC[NH2+]C 36790990 572068481 /nfs/dbraw/zinc/06/84/81/572068481.db2.gz COBVAVNWETWDER-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CC[NH2+]C 36790990 572068483 /nfs/dbraw/zinc/06/84/83/572068483.db2.gz COBVAVNWETWDER-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CN[C@@H](C)[C@H]1CCCC[N@H+]1CC1CC1 82646970 572068507 /nfs/dbraw/zinc/06/85/07/572068507.db2.gz SBBZKQARMAFAIU-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CN[C@H](C)[C@H]1CCCC[N@H+]1CC1CC1 82646971 572068522 /nfs/dbraw/zinc/06/85/22/572068522.db2.gz SBBZKQARMAFAIU-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@H]1CN(C)[C@@H](C)[C@@H](C)[NH3+] 82648328 572068542 /nfs/dbraw/zinc/06/85/42/572068542.db2.gz SLPBTZKTAHVFCN-JXUBOQSCSA-N 2 1 170.300 1.310 10 0 ADAEMP C[C@@H]1C[C@H]1CN(C)[C@@H]1CCCC[C@@H]1[NH3+] 82648451 572068558 /nfs/dbraw/zinc/06/85/58/572068558.db2.gz KMIQJGWGOSDMJD-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648289 572068583 /nfs/dbraw/zinc/06/85/83/572068583.db2.gz LKIPOHWDEXIRSI-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648289 572068586 /nfs/dbraw/zinc/06/85/86/572068586.db2.gz LKIPOHWDEXIRSI-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](N)C(C)(C)C 82648261 572068689 /nfs/dbraw/zinc/06/86/89/572068689.db2.gz VAQWJLWULTVDKP-VWYCJHECSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+](C)C[C@H]([NH3+])C(C)(C)C 82648261 572068691 /nfs/dbraw/zinc/06/86/91/572068691.db2.gz VAQWJLWULTVDKP-VWYCJHECSA-N 2 1 198.354 1.948 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648458 572068713 /nfs/dbraw/zinc/06/87/13/572068713.db2.gz VIFOTGVKNFAMJV-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648458 572068714 /nfs/dbraw/zinc/06/87/14/572068714.db2.gz VIFOTGVKNFAMJV-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCCC(N)=[NH2+] 82648771 572068722 /nfs/dbraw/zinc/06/87/22/572068722.db2.gz RJAZAOYOMUBGGQ-NXEZZACHSA-N 2 1 197.326 1.680 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648290 572068876 /nfs/dbraw/zinc/06/88/76/572068876.db2.gz LKIPOHWDEXIRSI-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648290 572068878 /nfs/dbraw/zinc/06/88/78/572068878.db2.gz LKIPOHWDEXIRSI-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP CCC(CC)N(C)C[C@H]([NH3+])CC 36872099 572069119 /nfs/dbraw/zinc/06/91/19/572069119.db2.gz DYRDTHPILDBXNM-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@@H](N)C[N@@H+](CC)C1CCCC1 36872082 572068976 /nfs/dbraw/zinc/06/89/76/572068976.db2.gz ALOWKMNHEFPISZ-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H]([NH3+])CN(CC)C1CCCC1 36872082 572068980 /nfs/dbraw/zinc/06/89/80/572068980.db2.gz ALOWKMNHEFPISZ-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC(CC)[N@H+](C)C[C@H](N)CC 36872099 572069114 /nfs/dbraw/zinc/06/91/14/572069114.db2.gz DYRDTHPILDBXNM-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+](C)C[C@@H]1C[C@@H]1C 82648448 572069242 /nfs/dbraw/zinc/06/92/42/572069242.db2.gz FFRRUSSGTKLDEU-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82648448 572069244 /nfs/dbraw/zinc/06/92/44/572069244.db2.gz FFRRUSSGTKLDEU-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+]CC[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650542 572069554 /nfs/dbraw/zinc/06/95/54/572069554.db2.gz CFHAPQQZWQJNRW-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 36790048 572069583 /nfs/dbraw/zinc/06/95/83/572069583.db2.gz YDKJRTNTGVLJOI-VHSXEESVSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)C[C@@H]1C[C@H]1C 82650349 572069635 /nfs/dbraw/zinc/06/96/35/572069635.db2.gz NMYJEMSJIZKQJZ-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 82651156 572069656 /nfs/dbraw/zinc/06/96/56/572069656.db2.gz GHHRUWFJTAHPTB-IJLUTSLNSA-N 2 1 196.338 1.574 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 36790516 572069661 /nfs/dbraw/zinc/06/96/61/572069661.db2.gz MORSOXQBUNXWOY-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C[C@H]1C[C@@H]1C 82650381 572069682 /nfs/dbraw/zinc/06/96/82/572069682.db2.gz IHFBRHJBDRJNHW-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82651771 572069704 /nfs/dbraw/zinc/06/97/04/572069704.db2.gz WRBYFLRSSMWIFZ-SRVKXCTJSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651771 572069706 /nfs/dbraw/zinc/06/97/06/572069706.db2.gz WRBYFLRSSMWIFZ-SRVKXCTJSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH2+]1 82651244 572069712 /nfs/dbraw/zinc/06/97/12/572069712.db2.gz KGARYPTYLWNZAA-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82651666 572069794 /nfs/dbraw/zinc/06/97/94/572069794.db2.gz OCTWMTOUGRSPEO-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C[C@@H]1C[C@H]1C 82650382 572069829 /nfs/dbraw/zinc/06/98/29/572069829.db2.gz IHFBRHJBDRJNHW-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CCC(N)=[NH2+] 36790823 572069896 /nfs/dbraw/zinc/06/98/96/572069896.db2.gz DWJUDPVRPTWYOZ-MRVPVSSYSA-N 2 1 171.288 1.433 10 0 ADAEMP [NH3+]CC[NH2+]C[C@H]1CCCC(F)(F)C1 300926487 572069904 /nfs/dbraw/zinc/06/99/04/572069904.db2.gz LXELRQHGEITDGO-QMMMGPOBSA-N 2 1 192.253 1.360 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 82650384 572069913 /nfs/dbraw/zinc/06/99/13/572069913.db2.gz OLUCWQVXKTXNHO-KXUCPTDWSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650384 572069914 /nfs/dbraw/zinc/06/99/14/572069914.db2.gz OLUCWQVXKTXNHO-KXUCPTDWSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 82651706 572069950 /nfs/dbraw/zinc/06/99/50/572069950.db2.gz UXMCHXYMDZXUGI-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1C[C@H]1C 82651205 572069985 /nfs/dbraw/zinc/06/99/85/572069985.db2.gz LHYFTRPGJHVDRS-RHYQMDGZSA-N 2 1 196.338 1.430 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)CC[NH3+] 82651740 572070100 /nfs/dbraw/zinc/07/01/00/572070100.db2.gz WIXHJZZJSULTIV-GUBZILKMSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)C[C@H]1C[C@H]1C 82650347 572070116 /nfs/dbraw/zinc/07/01/16/572070116.db2.gz NMYJEMSJIZKQJZ-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH2+]1 82651243 572070122 /nfs/dbraw/zinc/07/01/22/572070122.db2.gz KGARYPTYLWNZAA-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651196 572070161 /nfs/dbraw/zinc/07/01/61/572070161.db2.gz IPYAEMSBATXXSH-NOOOWODRSA-N 2 1 198.354 1.948 10 0 ADAEMP CC[C@H](N)C[N@@H+](C)[C@@H](C)C(C)C 36872097 572070174 /nfs/dbraw/zinc/07/01/74/572070174.db2.gz HPYOJVFOLLLHFB-UWVGGRQHSA-N 2 1 172.316 1.700 10 0 ADAEMP CC[C@H]([NH3+])CN(C)[C@@H](C)C(C)C 36872097 572070177 /nfs/dbraw/zinc/07/01/77/572070177.db2.gz HPYOJVFOLLLHFB-UWVGGRQHSA-N 2 1 172.316 1.700 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1C[C@H]1C 82651203 572070253 /nfs/dbraw/zinc/07/02/53/572070253.db2.gz LHYFTRPGJHVDRS-KXNHARMFSA-N 2 1 196.338 1.430 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82650179 572070287 /nfs/dbraw/zinc/07/02/87/572070287.db2.gz FCWKELIEDJRVNR-SRVKXCTJSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H]1C 82651206 572070418 /nfs/dbraw/zinc/07/04/18/572070418.db2.gz LHYFTRPGJHVDRS-BJDJZHNGSA-N 2 1 196.338 1.430 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)C[C@H]1C[C@H]1C 82651737 572071053 /nfs/dbraw/zinc/07/10/53/572071053.db2.gz WIXHJZZJSULTIV-KXUCPTDWSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[N@H+](CC)C[C@H](N)CC 36872064 572070513 /nfs/dbraw/zinc/07/05/13/572070513.db2.gz XMUMALVRSRENSS-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@H](C)N(CC)C[C@H]([NH3+])CC 36872064 572070515 /nfs/dbraw/zinc/07/05/15/572070515.db2.gz XMUMALVRSRENSS-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82651777 572070518 /nfs/dbraw/zinc/07/05/18/572070518.db2.gz GCQAPXSOGKYDGO-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651777 572070521 /nfs/dbraw/zinc/07/05/21/572070521.db2.gz GCQAPXSOGKYDGO-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651151 572070556 /nfs/dbraw/zinc/07/05/56/572070556.db2.gz BVGXLUWTJZUGKG-DCAQKATOSA-N 2 1 184.327 1.558 10 0 ADAEMP CC[C@H](N)C[N@@H+](CC)C1CCCC1 36872081 572070578 /nfs/dbraw/zinc/07/05/78/572070578.db2.gz ALOWKMNHEFPISZ-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H]([NH3+])CN(CC)C1CCCC1 36872081 572070580 /nfs/dbraw/zinc/07/05/80/572070580.db2.gz ALOWKMNHEFPISZ-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+](C)C[C@H]1C[C@H]1C 82650538 572070585 /nfs/dbraw/zinc/07/05/85/572070585.db2.gz NQUITEIRZWHBNA-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 36790049 572070733 /nfs/dbraw/zinc/07/07/33/572070733.db2.gz YDKJRTNTGVLJOI-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C 82650385 572071294 /nfs/dbraw/zinc/07/12/94/572071294.db2.gz OLUCWQVXKTXNHO-LPEHRKFASA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82650385 572071295 /nfs/dbraw/zinc/07/12/95/572071295.db2.gz OLUCWQVXKTXNHO-LPEHRKFASA-N 2 1 170.300 1.182 10 0 ADAEMP CC[NH2+]CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650543 572070784 /nfs/dbraw/zinc/07/07/84/572070784.db2.gz CFHAPQQZWQJNRW-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 82651764 572070805 /nfs/dbraw/zinc/07/08/05/572070805.db2.gz KBMQYAZWNYKUGI-BJDJZHNGSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1C[C@H]1C 82651770 572070823 /nfs/dbraw/zinc/07/08/23/572070823.db2.gz WRBYFLRSSMWIFZ-WOPDTQHZSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82651770 572070825 /nfs/dbraw/zinc/07/08/25/572070825.db2.gz WRBYFLRSSMWIFZ-WOPDTQHZSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650418 572070829 /nfs/dbraw/zinc/07/08/29/572070829.db2.gz AKECAXYEGGZDCZ-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650418 572070832 /nfs/dbraw/zinc/07/08/32/572070832.db2.gz AKECAXYEGGZDCZ-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]CC(C)(C)C[N@@H+](C)C[C@H]1C[C@H]1C 82650163 572070864 /nfs/dbraw/zinc/07/08/64/572070864.db2.gz YFAKSLQFZRLUBL-GHMZBOCLSA-N 2 1 198.354 1.820 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82650502 572070880 /nfs/dbraw/zinc/07/08/80/572070880.db2.gz IGVYTGQLOWEKLR-VWYCJHECSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@@H](N)C[N@H+]1CCC[C@@H](CC)C1 36872105 572070894 /nfs/dbraw/zinc/07/08/94/572070894.db2.gz WMQVRVBOJNNETM-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]([NH3+])CN1CCC[C@@H](CC)C1 36872105 572070895 /nfs/dbraw/zinc/07/08/95/572070895.db2.gz WMQVRVBOJNNETM-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651252 572070920 /nfs/dbraw/zinc/07/09/20/572070920.db2.gz GDKVVAPOKCUVRW-SDDRHHMPSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+](C)C[C@H]1C[C@H]1C 82650372 572070931 /nfs/dbraw/zinc/07/09/31/572070931.db2.gz WRBYFLRSSMWIFZ-GRYCIOLGSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650372 572070933 /nfs/dbraw/zinc/07/09/33/572070933.db2.gz WRBYFLRSSMWIFZ-GRYCIOLGSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[C@@H](N)C[N@@H+](CC)CC(C)C 36872062 572070977 /nfs/dbraw/zinc/07/09/77/572070977.db2.gz BZWSIWSKSADHFH-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@H]([NH3+])CN(CC)CC(C)C 36872062 572070979 /nfs/dbraw/zinc/07/09/79/572070979.db2.gz BZWSIWSKSADHFH-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650511 572070989 /nfs/dbraw/zinc/07/09/89/572070989.db2.gz MPSRKVVHVXPRPK-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 82651761 572071033 /nfs/dbraw/zinc/07/10/33/572071033.db2.gz KBMQYAZWNYKUGI-KXNHARMFSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CCCC[NH3+] 36790010 572071074 /nfs/dbraw/zinc/07/10/74/572071074.db2.gz FPUJEATZOUKJFA-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP C[NH2+]CC(C)(C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 82650166 572071093 /nfs/dbraw/zinc/07/10/93/572071093.db2.gz YFAKSLQFZRLUBL-QWRGUYRKSA-N 2 1 198.354 1.820 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650383 572071108 /nfs/dbraw/zinc/07/11/08/572071108.db2.gz IHFBRHJBDRJNHW-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CC(C)(C)C[N@@H+](C)C[C@H]1C[C@@H]1C 82650164 572071154 /nfs/dbraw/zinc/07/11/54/572071154.db2.gz YFAKSLQFZRLUBL-WDEREUQCSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[NH2+]CCCC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650428 572071168 /nfs/dbraw/zinc/07/11/68/572071168.db2.gz ZVQOQYQHMZCMKD-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[N@@H+](C[C@H](N)CC)C(C)C 36872051 572071226 /nfs/dbraw/zinc/07/12/26/572071226.db2.gz LKEXNTOATVNNCF-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP CCCN(C[C@H]([NH3+])CC)C(C)C 36872051 572071227 /nfs/dbraw/zinc/07/12/27/572071227.db2.gz LKEXNTOATVNNCF-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+]CC(C)(C)C[N@@H+](C)C[C@@H]1C[C@H]1C 82650165 572071255 /nfs/dbraw/zinc/07/12/55/572071255.db2.gz YFAKSLQFZRLUBL-MNOVXSKESA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 36790841 572071285 /nfs/dbraw/zinc/07/12/85/572071285.db2.gz HMYOYOMXPWEJQA-RKDXNWHRSA-N 2 1 185.315 1.679 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82651776 572071426 /nfs/dbraw/zinc/07/14/26/572071426.db2.gz GCQAPXSOGKYDGO-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82651776 572071430 /nfs/dbraw/zinc/07/14/30/572071430.db2.gz GCQAPXSOGKYDGO-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)C[C@@H]1C[C@H]1C 82651739 572071497 /nfs/dbraw/zinc/07/14/97/572071497.db2.gz WIXHJZZJSULTIV-UTLUCORTSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[N@@H+](C[C@@H](N)CC)C(C)C 36872052 572071556 /nfs/dbraw/zinc/07/15/56/572071556.db2.gz LKEXNTOATVNNCF-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CCCN(C[C@@H]([NH3+])CC)C(C)C 36872052 572071559 /nfs/dbraw/zinc/07/15/59/572071559.db2.gz LKEXNTOATVNNCF-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82650509 572071701 /nfs/dbraw/zinc/07/17/01/572071701.db2.gz MPSRKVVHVXPRPK-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650387 572072324 /nfs/dbraw/zinc/07/23/24/572072324.db2.gz OLUCWQVXKTXNHO-GUBZILKMSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650387 572072325 /nfs/dbraw/zinc/07/23/25/572072325.db2.gz OLUCWQVXKTXNHO-GUBZILKMSA-N 2 1 170.300 1.182 10 0 ADAEMP CC[C@@H](N)C[N@@H+](C)[C@@H](C)C(C)C 36872098 572071979 /nfs/dbraw/zinc/07/19/79/572071979.db2.gz HPYOJVFOLLLHFB-VHSXEESVSA-N 2 1 172.316 1.700 10 0 ADAEMP C[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 82651705 572071982 /nfs/dbraw/zinc/07/19/82/572071982.db2.gz UXMCHXYMDZXUGI-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]([NH3+])CN(C)[C@@H](C)C(C)C 36872098 572071983 /nfs/dbraw/zinc/07/19/83/572071983.db2.gz HPYOJVFOLLLHFB-VHSXEESVSA-N 2 1 172.316 1.700 10 0 ADAEMP CC[C@H](N)C[N@@H+](CC)CC(C)C 36872061 572072009 /nfs/dbraw/zinc/07/20/09/572072009.db2.gz BZWSIWSKSADHFH-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H]([NH3+])CN(CC)CC(C)C 36872061 572072013 /nfs/dbraw/zinc/07/20/13/572072013.db2.gz BZWSIWSKSADHFH-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CCC(N)=[NH2+] 36790825 572072047 /nfs/dbraw/zinc/07/20/47/572072047.db2.gz DWJUDPVRPTWYOZ-QMMMGPOBSA-N 2 1 171.288 1.433 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CCCC[NH3+] 36790011 572072063 /nfs/dbraw/zinc/07/20/63/572072063.db2.gz FPUJEATZOUKJFA-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82650510 572072133 /nfs/dbraw/zinc/07/21/33/572072133.db2.gz MPSRKVVHVXPRPK-WOPDTQHZSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651197 572072158 /nfs/dbraw/zinc/07/21/58/572072158.db2.gz IPYAEMSBATXXSH-FIQHERPVSA-N 2 1 198.354 1.948 10 0 ADAEMP CC[NH2+]CCCC[N@@H+](C)C[C@H]1C[C@@H]1C 82650429 572072181 /nfs/dbraw/zinc/07/21/81/572072181.db2.gz ZVQOQYQHMZCMKD-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](N)C[N@@H+](CC)[C@H](C)CC 36872063 572072207 /nfs/dbraw/zinc/07/22/07/572072207.db2.gz XMUMALVRSRENSS-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@@H]([NH3+])CN(CC)[C@H](C)CC 36872063 572072212 /nfs/dbraw/zinc/07/22/12/572072212.db2.gz XMUMALVRSRENSS-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC(C)c1c[nH+]cn1CCCC[NH3+] 82655611 572072246 /nfs/dbraw/zinc/07/22/46/572072246.db2.gz UIMSSXFRMHLHJT-UHFFFAOYSA-N 2 1 181.283 1.745 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82650501 572072296 /nfs/dbraw/zinc/07/22/96/572072296.db2.gz IGVYTGQLOWEKLR-GARJFASQSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 82651198 572072360 /nfs/dbraw/zinc/07/23/60/572072360.db2.gz IPYAEMSBATXXSH-RHYQMDGZSA-N 2 1 198.354 1.948 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C[C@H]1C[C@H]1C 82650380 572072430 /nfs/dbraw/zinc/07/24/30/572072430.db2.gz IHFBRHJBDRJNHW-GHMZBOCLSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH2+]1 82651245 572072379 /nfs/dbraw/zinc/07/23/79/572072379.db2.gz KGARYPTYLWNZAA-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+](C)C[C@@H]1C[C@@H]1C 82650419 572072398 /nfs/dbraw/zinc/07/23/98/572072398.db2.gz AKECAXYEGGZDCZ-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650419 572072400 /nfs/dbraw/zinc/07/24/00/572072400.db2.gz AKECAXYEGGZDCZ-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 82651762 572072482 /nfs/dbraw/zinc/07/24/82/572072482.db2.gz KBMQYAZWNYKUGI-YFKTTZPYSA-N 2 1 196.338 1.702 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82650503 572072506 /nfs/dbraw/zinc/07/25/06/572072506.db2.gz IGVYTGQLOWEKLR-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82650500 572072578 /nfs/dbraw/zinc/07/25/78/572072578.db2.gz IGVYTGQLOWEKLR-OUAUKWLOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH2+]1 82651246 572072626 /nfs/dbraw/zinc/07/26/26/572072626.db2.gz KGARYPTYLWNZAA-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)c1c[nH+]cn1CCC[NH3+] 82655514 572072634 /nfs/dbraw/zinc/07/26/34/572072634.db2.gz CSOPMHUBVXXNOY-UHFFFAOYSA-N 2 1 167.256 1.355 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](CCC)C1CC1 36873639 572072766 /nfs/dbraw/zinc/07/27/66/572072766.db2.gz HRSBMVNOAUMRNT-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+](C)C[C@@H]1C[C@H]1C 82650540 572072784 /nfs/dbraw/zinc/07/27/84/572072784.db2.gz NQUITEIRZWHBNA-VWYCJHECSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+](C)C[C@H]1C[C@@H]1C 82651769 572072809 /nfs/dbraw/zinc/07/28/09/572072809.db2.gz WRBYFLRSSMWIFZ-SDDRHHMPSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82651769 572072810 /nfs/dbraw/zinc/07/28/10/572072810.db2.gz WRBYFLRSSMWIFZ-SDDRHHMPSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)CCC[NH3+] 82650541 572072857 /nfs/dbraw/zinc/07/28/57/572072857.db2.gz NQUITEIRZWHBNA-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+](CC)C1CC1 36873625 572072868 /nfs/dbraw/zinc/07/28/68/572072868.db2.gz RUHDTUQYTVCRIA-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](CC)C1CC1 36873625 572072872 /nfs/dbraw/zinc/07/28/72/572072872.db2.gz RUHDTUQYTVCRIA-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)([NH3+])[C@@H]([NH3+])Cc1ccccc1 34321037 572073184 /nfs/dbraw/zinc/07/31/84/572073184.db2.gz WBGNEOZSTJCAMG-JTQLQIEISA-N 2 1 178.279 1.294 10 0 ADAEMP CC(C)[C@@H](C[NH2+]CC1CC1)[NH+](C)C 36882467 572073328 /nfs/dbraw/zinc/07/33/28/572073328.db2.gz RFCJFUMNQIBGTK-LLVKDONJSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC1(C)CCCC1 82625885 572073513 /nfs/dbraw/zinc/07/35/13/572073513.db2.gz NVFCISLUVYCHDB-SNVBAGLBSA-N 2 1 184.327 1.764 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+](CC)C1CC1 36873624 572073555 /nfs/dbraw/zinc/07/35/55/572073555.db2.gz RUHDTUQYTVCRIA-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+](CC)C1CC1 36873624 572073558 /nfs/dbraw/zinc/07/35/58/572073558.db2.gz RUHDTUQYTVCRIA-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+](CCC)C1CC1 36873638 572073652 /nfs/dbraw/zinc/07/36/52/572073652.db2.gz HRSBMVNOAUMRNT-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](C)C1CC1 37081281 572085222 /nfs/dbraw/zinc/08/52/22/572085222.db2.gz LDSXKIUYJAJRCS-SCZZXKLOSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+](C)C1CC1 36873626 572074217 /nfs/dbraw/zinc/07/42/17/572074217.db2.gz QAEYBALISLPGCY-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+](C)C1CC1 36873626 572074220 /nfs/dbraw/zinc/07/42/20/572074220.db2.gz QAEYBALISLPGCY-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1(C[NH2+]CC[NH2+]C2CC2)CCCC1 82625846 572074444 /nfs/dbraw/zinc/07/44/44/572074444.db2.gz KYPAPFMAXBBMBC-UHFFFAOYSA-N 2 1 196.338 1.908 10 0 ADAEMP CC[NH2+]CC[NH2+]CC1(C)CCCC1 82625850 572074504 /nfs/dbraw/zinc/07/45/04/572074504.db2.gz AUAFSZBKUXWVKP-UHFFFAOYSA-N 2 1 184.327 1.766 10 0 ADAEMP C[NH2+]CC[NH2+]CC1(C)CCCC1 82625878 572074782 /nfs/dbraw/zinc/07/47/82/572074782.db2.gz ZZCLPRCQIHKATG-UHFFFAOYSA-N 2 1 170.300 1.376 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](C)C(C)C 36873561 572074982 /nfs/dbraw/zinc/07/49/82/572074982.db2.gz UZJRYLHVVAQXBW-SECBINFHSA-N 2 1 158.289 1.454 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+](C)C1CC1 36873627 572075199 /nfs/dbraw/zinc/07/51/99/572075199.db2.gz QAEYBALISLPGCY-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](C)C1CC1 36873627 572075203 /nfs/dbraw/zinc/07/52/03/572075203.db2.gz QAEYBALISLPGCY-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCCC[C@@H]([NH3+])c1c[nH+]ccc1N 78677501 572075404 /nfs/dbraw/zinc/07/54/04/572075404.db2.gz IKCMGPJHAHTSME-SECBINFHSA-N 2 1 179.267 1.854 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC1(C)CCCC1 82625884 572075581 /nfs/dbraw/zinc/07/55/81/572075581.db2.gz NVFCISLUVYCHDB-JTQLQIEISA-N 2 1 184.327 1.764 10 0 ADAEMP CC(C)[C@H](C[NH2+]CC1CC1)[NH+](C)C 36882468 572075616 /nfs/dbraw/zinc/07/56/16/572075616.db2.gz RFCJFUMNQIBGTK-NSHDSACASA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)c1c[nH]c(CCC[NH3+])[nH+]1 36876249 572075947 /nfs/dbraw/zinc/07/59/47/572075947.db2.gz OSDGAZSOJMJDLE-UHFFFAOYSA-N 2 1 167.256 1.424 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@H](C2CC2)C1 400318410 572079122 /nfs/dbraw/zinc/07/91/22/572079122.db2.gz FDGRKVAACAZBQT-RYUDHWBXSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@@H](C2CC2)C1 400318413 572079215 /nfs/dbraw/zinc/07/92/15/572079215.db2.gz FDGRKVAACAZBQT-VXGBXAGGSA-N 2 1 196.338 1.702 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H](C[NH2+]CC)C1 82645869 572079309 /nfs/dbraw/zinc/07/93/09/572079309.db2.gz DVVXQCRAGIWWIV-OGOUPESXSA-N 2 1 196.338 1.884 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@@H](C[NH2+]CC)C1 82645868 572079535 /nfs/dbraw/zinc/07/95/35/572079535.db2.gz DVVXQCRAGIWWIV-PYEVWLCESA-N 2 1 196.338 1.884 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](C)CC 37078996 572080409 /nfs/dbraw/zinc/08/04/09/572080409.db2.gz GLQSEZYVLUJTCP-RKDXNWHRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCCC[C@@H]1C 36986733 572079675 /nfs/dbraw/zinc/07/96/75/572079675.db2.gz MFKVUFMXDKMKBJ-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCCC[C@@H]1C 36986734 572080000 /nfs/dbraw/zinc/08/00/00/572080000.db2.gz MFKVUFMXDKMKBJ-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666948 572080244 /nfs/dbraw/zinc/08/02/44/572080244.db2.gz OSUSEMKPAJOHLC-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@H+](C)CC 37078996 572080407 /nfs/dbraw/zinc/08/04/07/572080407.db2.gz GLQSEZYVLUJTCP-RKDXNWHRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)C1CC1 37079956 572080370 /nfs/dbraw/zinc/08/03/70/572080370.db2.gz ZGSDCIVFFIXWRJ-SCZZXKLOSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@@H+](C)Cc1ccccc1C(N)=[NH2+] 37078957 572080383 /nfs/dbraw/zinc/08/03/83/572080383.db2.gz VYLZOIQUACEFQY-UHFFFAOYSA-N 2 1 191.278 1.422 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)CC 37078948 572080745 /nfs/dbraw/zinc/08/07/45/572080745.db2.gz LEQKCKINYHZLGS-ZETCQYMHSA-N 2 1 157.261 1.043 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH3+])C1CC1 37079853 572080982 /nfs/dbraw/zinc/08/09/82/572080982.db2.gz VTDFBLITGSZXOO-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])C1CC1 37079476 572081018 /nfs/dbraw/zinc/08/10/18/572081018.db2.gz AUCLSWVZTDVENI-UHFFFAOYSA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](CC)C1CC1 37079470 572081204 /nfs/dbraw/zinc/08/12/04/572081204.db2.gz CQUDHTKFLBIJGY-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[N@@H+](C)CCCCCCC[NH3+] 37078982 572081240 /nfs/dbraw/zinc/08/12/40/572081240.db2.gz PHMPUZRRKORPJL-UHFFFAOYSA-N 2 1 172.316 1.847 10 0 ADAEMP CC[N@@H+](C[C@@H](C)C[NH3+])C1CC1 37079471 572081296 /nfs/dbraw/zinc/08/12/96/572081296.db2.gz KJYYICANQXPHAK-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@@H+](CC)C[C@H](C)C[NH3+] 37094525 572081426 /nfs/dbraw/zinc/08/14/26/572081426.db2.gz HZXDOCLVNBIYNQ-SECBINFHSA-N 2 1 158.289 1.313 10 0 ADAEMP CC(C)[N@@H+](C)Cc1ccnc(C[NH3+])c1 82668307 572082895 /nfs/dbraw/zinc/08/28/95/572082895.db2.gz JZXXVJURPGFRKR-UHFFFAOYSA-N 2 1 193.294 1.381 10 0 ADAEMP CC[N@@H+](C)Cc1cccc(C(N)=[NH2+])c1 37078951 572081718 /nfs/dbraw/zinc/08/17/18/572081718.db2.gz KTWYYLKABWYTPL-UHFFFAOYSA-N 2 1 191.278 1.422 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](C)CC 37078998 572081825 /nfs/dbraw/zinc/08/18/25/572081825.db2.gz GLQSEZYVLUJTCP-BDAKNGLRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](C)CC 37078998 572081826 /nfs/dbraw/zinc/08/18/26/572081826.db2.gz GLQSEZYVLUJTCP-BDAKNGLRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](CC)C1CC1 37079957 572081905 /nfs/dbraw/zinc/08/19/05/572081905.db2.gz ZGSDCIVFFIXWRJ-PSASIEDQSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH3+])C1CC1 37079852 572081927 /nfs/dbraw/zinc/08/19/27/572081927.db2.gz VTDFBLITGSZXOO-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H](C)C[NH3+] 37094524 572081965 /nfs/dbraw/zinc/08/19/65/572081965.db2.gz HZXDOCLVNBIYNQ-VIFPVBQESA-N 2 1 158.289 1.313 10 0 ADAEMP C[N@@H+](Cc1ccnc(C[NH3+])c1)C1CC1 82668317 572081970 /nfs/dbraw/zinc/08/19/70/572081970.db2.gz TVFBTKOWTGWSFW-UHFFFAOYSA-N 2 1 191.278 1.135 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](CC)C1CC1 37079469 572081999 /nfs/dbraw/zinc/08/19/99/572081999.db2.gz CQUDHTKFLBIJGY-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CC[N@H+](C[C@@H]([NH3+])C(C)(C)C)C1CC1 37079826 572082126 /nfs/dbraw/zinc/08/21/26/572082126.db2.gz JJHQBUBWZOXUSJ-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C[C@@H]([NH3+])C(C)(C)C)C1CC1 37079826 572082131 /nfs/dbraw/zinc/08/21/31/572082131.db2.gz JJHQBUBWZOXUSJ-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](C)Cc1ccnc(C[NH3+])c1 82668323 572082331 /nfs/dbraw/zinc/08/23/31/572082331.db2.gz XPKPOCZVSSNKKP-UHFFFAOYSA-N 2 1 193.294 1.382 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@@H+](CC)C1CC1 37079959 572082486 /nfs/dbraw/zinc/08/24/86/572082486.db2.gz ZGSDCIVFFIXWRJ-WCBMZHEXSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@@H+](C[C@H](C)C[NH3+])C1CC1 37079472 572083343 /nfs/dbraw/zinc/08/33/43/572083343.db2.gz KJYYICANQXPHAK-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+](CC)C1CC1 37079958 572083016 /nfs/dbraw/zinc/08/30/16/572083016.db2.gz ZGSDCIVFFIXWRJ-WPRPVWTQSA-N 2 1 170.300 1.597 10 0 ADAEMP CCC[N@@H+](C)Cc1cccc(C[NH3+])c1 37034872 572083493 /nfs/dbraw/zinc/08/34/93/572083493.db2.gz YKJCEZKVLSAJNQ-UHFFFAOYSA-N 2 1 192.306 1.987 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)CC 37078949 572083623 /nfs/dbraw/zinc/08/36/23/572083623.db2.gz LEQKCKINYHZLGS-SSDOTTSWSA-N 2 1 157.261 1.043 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)CC 37078999 572083805 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NPIOVXDFSQIBIN-MNOVXSKESA-N 2 1 184.327 1.987 10 0 ADAEMP C[N@@H+](Cc1ccccc1C[NH3+])C1CC1 37080576 572084437 /nfs/dbraw/zinc/08/44/37/572084437.db2.gz WCBPMISWGQOJMA-UHFFFAOYSA-N 2 1 190.290 1.740 10 0 ADAEMP C[N@H+](C[C@H]([NH3+])C(C)(C)C)C1CC1 37080924 572084498 /nfs/dbraw/zinc/08/44/98/572084498.db2.gz VUQCBYAYNMCRLW-VIFPVBQESA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](C[C@H]([NH3+])C(C)(C)C)C1CC1 37080924 572084502 /nfs/dbraw/zinc/08/45/02/572084502.db2.gz VUQCBYAYNMCRLW-VIFPVBQESA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@H+](C[C@@H]([NH3+])C(C)C)C1CC1 37080156 572084587 /nfs/dbraw/zinc/08/45/87/572084587.db2.gz BOQOSEIHIDNSPK-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](C[C@@H]([NH3+])C(C)C)C1CC1 37080156 572084590 /nfs/dbraw/zinc/08/45/90/572084590.db2.gz BOQOSEIHIDNSPK-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@H+](CC)C1CC1 37080151 572084598 /nfs/dbraw/zinc/08/45/98/572084598.db2.gz CWSGQPWNDTXEIH-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](CC)C1CC1 37080151 572084601 /nfs/dbraw/zinc/08/46/01/572084601.db2.gz CWSGQPWNDTXEIH-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@H]([NH3+])CN(C)C1CCCC1 37092897 572084644 /nfs/dbraw/zinc/08/46/44/572084644.db2.gz IVRCLMOIQBMBQY-LLVKDONJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)N(CC)C(C)C 37082205 572084699 /nfs/dbraw/zinc/08/46/99/572084699.db2.gz CLSYBCHTKSYFNB-NXEZZACHSA-N 2 1 172.316 1.843 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1CCC(N)=[NH2+] 37083455 572084766 /nfs/dbraw/zinc/08/47/66/572084766.db2.gz JJWJQRNOCGVZMA-VIFPVBQESA-N 2 1 183.299 1.577 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH+]2CCCC2)[NH2+]C1 34491474 572085238 /nfs/dbraw/zinc/08/52/38/572085238.db2.gz STHDXFBGSDTDOM-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])C[N@@H+](C)C1CC1 37081281 572085225 /nfs/dbraw/zinc/08/52/25/572085225.db2.gz LDSXKIUYJAJRCS-SCZZXKLOSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])C(C)C 37081702 572085011 /nfs/dbraw/zinc/08/50/11/572085011.db2.gz ZHGSHDGFXFIZBQ-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)N(CC)C(C)C 37082204 572085057 /nfs/dbraw/zinc/08/50/57/572085057.db2.gz CLSYBCHTKSYFNB-ZJUUUORDSA-N 2 1 172.316 1.843 10 0 ADAEMP CC1(C)CCC[NH2+][C@H]1C[NH+]1CCCC1 34491487 572085063 /nfs/dbraw/zinc/08/50/63/572085063.db2.gz PQVIAQYZDFURJJ-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CCCCCCC[NH3+])C1CC1 37081266 572085153 /nfs/dbraw/zinc/08/51/53/572085153.db2.gz CSTGZELLUGLLHQ-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@H]1CC[C@H](C[NH+]2CCCC2)[NH2+]C1 34491475 572085231 /nfs/dbraw/zinc/08/52/31/572085231.db2.gz STHDXFBGSDTDOM-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC1(C)CC[NH2+][C@@H](C[NH+]2CCCC2)C1 34491495 572085207 /nfs/dbraw/zinc/08/52/07/572085207.db2.gz SQXJEKDZJTWUNC-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](Cc1cccc(C[NH3+])c1)C1CC1 37080556 572085215 /nfs/dbraw/zinc/08/52/15/572085215.db2.gz YJXNADSQEZPQIH-UHFFFAOYSA-N 2 1 190.290 1.740 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)N(C)C1CCCC1 37092723 572085370 /nfs/dbraw/zinc/08/53/70/572085370.db2.gz OVLWXUYENNPIIR-ONGXEEELSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1CCC(N)=[NH2+] 37083454 572085526 /nfs/dbraw/zinc/08/55/26/572085526.db2.gz JJWJQRNOCGVZMA-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP C[C@H]1CN(C[C@@H]2C=CCC2)CCC[NH2+]1 711701005 572085552 /nfs/dbraw/zinc/08/55/52/572085552.db2.gz HMCVPIIBARLIPJ-NWDGAFQWSA-N 2 1 194.322 1.636 10 0 ADAEMP C[N@@H+](CCCC[NH3+])C1CCCC1 37083963 572085698 /nfs/dbraw/zinc/08/56/98/572085698.db2.gz CIRGSYFVEWCEHI-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP C[N@H+](C[C@@H]([NH3+])C(C)(C)C)C1CC1 37080923 572085716 /nfs/dbraw/zinc/08/57/16/572085716.db2.gz VUQCBYAYNMCRLW-SECBINFHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](C[C@@H]([NH3+])C(C)(C)C)C1CC1 37080923 572085717 /nfs/dbraw/zinc/08/57/17/572085717.db2.gz VUQCBYAYNMCRLW-SECBINFHSA-N 2 1 170.300 1.454 10 0 ADAEMP Cc1[nH+]ccn1Cc1ccc(C[NH3+])o1 16942728 572085744 /nfs/dbraw/zinc/08/57/44/572085744.db2.gz MPWTVKHIMWPSFF-UHFFFAOYSA-N 2 1 191.234 1.292 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)C1CC1 37080552 572085779 /nfs/dbraw/zinc/08/57/79/572085779.db2.gz RWBWUOUUDSCMOX-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)N(C)C1CCCC1 37092722 572085804 /nfs/dbraw/zinc/08/58/04/572085804.db2.gz OVLWXUYENNPIIR-MWLCHTKSSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)N(CC)C(C)C 37082207 572085822 /nfs/dbraw/zinc/08/58/22/572085822.db2.gz CLSYBCHTKSYFNB-VHSXEESVSA-N 2 1 172.316 1.843 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[N@H+](C)C1CC1 37080632 572085904 /nfs/dbraw/zinc/08/59/04/572085904.db2.gz OGIRSMRLXPLXJM-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[N@@H+](C)C1CC1 37080632 572085909 /nfs/dbraw/zinc/08/59/09/572085909.db2.gz OGIRSMRLXPLXJM-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@H+](C)C1CC1 37080621 572086114 /nfs/dbraw/zinc/08/61/14/572086114.db2.gz HBNOCMHNUGVWQB-VIFPVBQESA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@@H+](C)C1CC1 37080621 572086116 /nfs/dbraw/zinc/08/61/16/572086116.db2.gz HBNOCMHNUGVWQB-VIFPVBQESA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+](CC)C1CC1 37080152 572086063 /nfs/dbraw/zinc/08/60/63/572086063.db2.gz CWSGQPWNDTXEIH-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](CC)C1CC1 37080152 572086066 /nfs/dbraw/zinc/08/60/66/572086066.db2.gz CWSGQPWNDTXEIH-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+](C)C1CC1 37080622 572086231 /nfs/dbraw/zinc/08/62/31/572086231.db2.gz HBNOCMHNUGVWQB-SECBINFHSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+](C)C1CC1 37080622 572086235 /nfs/dbraw/zinc/08/62/35/572086235.db2.gz HBNOCMHNUGVWQB-SECBINFHSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)[C@@H]([NH3+])CN(C)C1CCCC1 37092898 572086335 /nfs/dbraw/zinc/08/63/35/572086335.db2.gz IVRCLMOIQBMBQY-NSHDSACASA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[N@H+](C)C1CC1 37080631 572086358 /nfs/dbraw/zinc/08/63/58/572086358.db2.gz OGIRSMRLXPLXJM-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[N@@H+](C)C1CC1 37080631 572086360 /nfs/dbraw/zinc/08/63/60/572086360.db2.gz OGIRSMRLXPLXJM-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CN(C[C@H]2C=CCC2)CCC[NH2+]1 711700997 572086394 /nfs/dbraw/zinc/08/63/94/572086394.db2.gz HMCVPIIBARLIPJ-NEPJUHHUSA-N 2 1 194.322 1.636 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](CC)C1CC1 37080080 572086449 /nfs/dbraw/zinc/08/64/49/572086449.db2.gz FEANDFTXMGAYTK-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[N@@H+](C[C@@H](C)C(N)=[NH2+])C1CC1 37080110 572086466 /nfs/dbraw/zinc/08/64/66/572086466.db2.gz ZXXQTQUBJNVWBE-SSDOTTSWSA-N 2 1 169.272 1.043 10 0 ADAEMP CC1(C)CCC[NH2+][C@@H]1C[NH+]1CCCC1 34491486 572086475 /nfs/dbraw/zinc/08/64/75/572086475.db2.gz PQVIAQYZDFURJJ-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCCC[C@H](C[NH3+])[N@H+](C)C1CC1 37080784 572086506 /nfs/dbraw/zinc/08/65/06/572086506.db2.gz VTZYUGKKMAAJTK-LLVKDONJSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[C@H](C[NH3+])[N@@H+](C)C1CC1 37080784 572086509 /nfs/dbraw/zinc/08/65/09/572086509.db2.gz VTZYUGKKMAAJTK-LLVKDONJSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@H+](C)C1CC1 37081279 572086522 /nfs/dbraw/zinc/08/65/22/572086522.db2.gz LDSXKIUYJAJRCS-PSASIEDQSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](C)C1CC1 37081279 572086526 /nfs/dbraw/zinc/08/65/26/572086526.db2.gz LDSXKIUYJAJRCS-PSASIEDQSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)CC[N@@H+](C)CC1CC([NH3+])C1 84984562 572087698 /nfs/dbraw/zinc/08/76/98/572087698.db2.gz KDPFBXOWPOOMLJ-UHFFFAOYSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)N(CC)C(C)C 37082206 572086829 /nfs/dbraw/zinc/08/68/29/572086829.db2.gz CLSYBCHTKSYFNB-UWVGGRQHSA-N 2 1 172.316 1.843 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)C1CC1 37080553 572086941 /nfs/dbraw/zinc/08/69/41/572086941.db2.gz RWBWUOUUDSCMOX-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]1CN(C[C@H]2C=CCC2)CCC[NH2+]1 711701018 572087713 /nfs/dbraw/zinc/08/77/13/572087713.db2.gz HMCVPIIBARLIPJ-RYUDHWBXSA-N 2 1 194.322 1.636 10 0 ADAEMP C[N@@H+](CCCCCC[NH3+])C1CC1 37081289 572086969 /nfs/dbraw/zinc/08/69/69/572086969.db2.gz IOHZMGKFQFAZSO-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+](CC)C1CC1 37080150 572087025 /nfs/dbraw/zinc/08/70/25/572087025.db2.gz CWSGQPWNDTXEIH-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+](CC)C1CC1 37080150 572087026 /nfs/dbraw/zinc/08/70/26/572087026.db2.gz CWSGQPWNDTXEIH-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+](CC1CCCC1)CC1CC([NH3+])C1 84984596 572087086 /nfs/dbraw/zinc/08/70/86/572087086.db2.gz QMFFHLVBXWZMNL-UHFFFAOYSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+](C)C1CC1 37081282 572087096 /nfs/dbraw/zinc/08/70/96/572087096.db2.gz LDSXKIUYJAJRCS-WPRPVWTQSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](C)C1CC1 37081282 572087099 /nfs/dbraw/zinc/08/70/99/572087099.db2.gz LDSXKIUYJAJRCS-WPRPVWTQSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@@H]([NH3+])[C@@H](CC)[N@@H+](C)C1CC1 37080986 572087203 /nfs/dbraw/zinc/08/72/03/572087203.db2.gz NPIOVXDFSQIBIN-GHMZBOCLSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH+]2CCCC2)[NH2+]C1 34491477 572087206 /nfs/dbraw/zinc/08/72/06/572087206.db2.gz STHDXFBGSDTDOM-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](CC)C1CC1 37080079 572087226 /nfs/dbraw/zinc/08/72/26/572087226.db2.gz FEANDFTXMGAYTK-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[N@@H+](Cc1ccc(C[NH3+])cc1)C1CC1 37080577 572087256 /nfs/dbraw/zinc/08/72/56/572087256.db2.gz QFIDGBORESDGFE-UHFFFAOYSA-N 2 1 190.290 1.740 10 0 ADAEMP C[N@@H+](CCC1CC1)CC1CC([NH3+])C1 84984806 572087418 /nfs/dbraw/zinc/08/74/18/572087418.db2.gz GBBLOSHFRDLNFL-UHFFFAOYSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@H]([NH3+])[C@H](CC)[N@@H+](C)C1CC1 37080987 572087421 /nfs/dbraw/zinc/08/74/21/572087421.db2.gz NPIOVXDFSQIBIN-QWRGUYRKSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H]1CN(C[C@@H]2C=CCC2)CCC[NH2+]1 711701027 572087411 /nfs/dbraw/zinc/08/74/11/572087411.db2.gz HMCVPIIBARLIPJ-VXGBXAGGSA-N 2 1 194.322 1.636 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[N@H+](C)C1CC1 37080783 572087475 /nfs/dbraw/zinc/08/74/75/572087475.db2.gz VTZYUGKKMAAJTK-NSHDSACASA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[N@@H+](C)C1CC1 37080783 572087476 /nfs/dbraw/zinc/08/74/76/572087476.db2.gz VTZYUGKKMAAJTK-NSHDSACASA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@H+](C[C@H]([NH3+])C(C)C)C1CC1 37080155 572087508 /nfs/dbraw/zinc/08/75/08/572087508.db2.gz BOQOSEIHIDNSPK-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](C[C@H]([NH3+])C(C)C)C1CC1 37080155 572087510 /nfs/dbraw/zinc/08/75/10/572087510.db2.gz BOQOSEIHIDNSPK-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](CCCC(N)=[NH2+])C1CCCC1 37092857 572087609 /nfs/dbraw/zinc/08/76/09/572087609.db2.gz URSRBGXHOSCSER-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)N(C)C1CCCC1 37092724 572087660 /nfs/dbraw/zinc/08/76/60/572087660.db2.gz OVLWXUYENNPIIR-GXSJLCMTSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1C[C@@H](C)C(N)=[NH2+] 37083447 572087682 /nfs/dbraw/zinc/08/76/82/572087682.db2.gz RULARRDDQAHBAS-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[N@@H+](CCCC(N)=[NH2+])C(C)C 37082385 572087694 /nfs/dbraw/zinc/08/76/94/572087694.db2.gz JRYJYVHHULPBGU-UHFFFAOYSA-N 2 1 171.288 1.433 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1C[C@@H](C)C(N)=[NH2+] 37083446 572088111 /nfs/dbraw/zinc/08/81/11/572088111.db2.gz RULARRDDQAHBAS-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC1CC([NH3+])C1 84984622 572087925 /nfs/dbraw/zinc/08/79/25/572087925.db2.gz GVHNJZAIIHPMFM-IDKOKCKLSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@H]([NH3+])[C@@H](CC)[N@@H+](C)C1CC1 37080985 572088143 /nfs/dbraw/zinc/08/81/43/572088143.db2.gz NPIOVXDFSQIBIN-WDEREUQCSA-N 2 1 184.327 1.987 10 0 ADAEMP Cc1onc(C[NH+]2CCCC2)c1C[NH3+] 16943688 572088016 /nfs/dbraw/zinc/08/80/16/572088016.db2.gz ZHHLVUZCUZNZMI-UHFFFAOYSA-N 2 1 195.266 1.038 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC1CC([NH3+])C1 84984620 572088153 /nfs/dbraw/zinc/08/81/53/572088153.db2.gz GVHNJZAIIHPMFM-XNWIYYODSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@@H+](CC)CCC(N)=[NH2+] 37095163 572088548 /nfs/dbraw/zinc/08/85/48/572088548.db2.gz KQIYHDWCLAUSEB-UHFFFAOYSA-N 2 1 157.261 1.044 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CC1CC([NH3+])C1 84984646 572088555 /nfs/dbraw/zinc/08/85/55/572088555.db2.gz PGLVJQVHNNEWKD-KPPDAEKUSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@@H+](CC)CCCC(N)=[NH2+] 37095162 572089024 /nfs/dbraw/zinc/08/90/24/572089024.db2.gz DXGYNQLBJWULED-UHFFFAOYSA-N 2 1 171.288 1.434 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](CC)CC(N)=[NH2+] 37095158 572089030 /nfs/dbraw/zinc/08/90/30/572089030.db2.gz SMBXORGKUWYFFN-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP CCC[N@H+](C1CC1)[C@H](CC)CC[NH3+] 37096784 572089038 /nfs/dbraw/zinc/08/90/38/572089038.db2.gz ZWPKTSWDAIYOBM-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP [NH3+]CC1C[NH+](CCc2ccccc2)C1 84988095 572089048 /nfs/dbraw/zinc/08/90/48/572089048.db2.gz IUJXXPBZIVBMJH-UHFFFAOYSA-N 2 1 190.290 1.120 10 0 ADAEMP CCC[N@@H+](CC)CC[C@H](C)[NH3+] 37094899 572089068 /nfs/dbraw/zinc/08/90/68/572089068.db2.gz FRUPYVYGNDPWNR-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CCC[N@@H+](CCCC(N)=[NH2+])C(C)C 37096285 572089222 /nfs/dbraw/zinc/08/92/22/572089222.db2.gz NCDWSQZJOQGKAZ-UHFFFAOYSA-N 2 1 185.315 1.823 10 0 ADAEMP CC(C)C[N@@H+](C)CC1CC([NH3+])C1 84984693 572089243 /nfs/dbraw/zinc/08/92/43/572089243.db2.gz HKJGRTYXDCQUPK-UHFFFAOYSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1N 37095984 572089277 /nfs/dbraw/zinc/08/92/77/572089277.db2.gz MBPKYSDERLSALU-QWRGUYRKSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1N 37097130 572089406 /nfs/dbraw/zinc/08/94/06/572089406.db2.gz LNZUVKCEXPITIG-QWRGUYRKSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014669 572090412 /nfs/dbraw/zinc/09/04/12/572090412.db2.gz JBKOPPDKECSZAD-FOGDFJRCSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@H+](C1CC1)[C@@H](CC)CC[NH3+] 37096783 572089826 /nfs/dbraw/zinc/08/98/26/572089826.db2.gz ZWPKTSWDAIYOBM-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CC1CC([NH3+])C1 84984648 572089869 /nfs/dbraw/zinc/08/98/69/572089869.db2.gz PGLVJQVHNNEWKD-WHXUTIOJSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@@H+](CC)CC[C@@H](C)[NH3+] 37094898 572089894 /nfs/dbraw/zinc/08/98/94/572089894.db2.gz FRUPYVYGNDPWNR-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1N 37097129 572090166 /nfs/dbraw/zinc/09/01/66/572090166.db2.gz LNZUVKCEXPITIG-WDEREUQCSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC[N@@H+](C[C@@H](C)C[NH3+])C(C)C 37095662 572090062 /nfs/dbraw/zinc/09/00/62/572090062.db2.gz ANHICCGGQKVMCX-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[N@@H+](C(C)C)C1CC[NH2+]CC1 37096297 572090413 /nfs/dbraw/zinc/09/04/13/572090413.db2.gz GLHCAIXPVQWBSO-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 85016038 572090152 /nfs/dbraw/zinc/09/01/52/572090152.db2.gz UVYKSAIXZKUUKP-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@@H+](C[C@H](C)C[NH3+])C(C)C 37095663 572090229 /nfs/dbraw/zinc/09/02/29/572090229.db2.gz ANHICCGGQKVMCX-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)C 85014511 572090256 /nfs/dbraw/zinc/09/02/56/572090256.db2.gz GQQBUXKQUWNJPC-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014547 572090388 /nfs/dbraw/zinc/09/03/88/572090388.db2.gz FWZHXYJONBMQBG-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C[C@@H](C)C[NH3+])C1CC1 37096785 572090400 /nfs/dbraw/zinc/09/04/00/572090400.db2.gz QVBWNIMJCIULQT-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](CC[C@@H](C)[NH3+])C1CC1 37097160 572090510 /nfs/dbraw/zinc/09/05/10/572090510.db2.gz YFVPCUOZIXNNHR-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1N 37095983 572090572 /nfs/dbraw/zinc/09/05/72/572090572.db2.gz MBPKYSDERLSALU-WDEREUQCSA-N 2 1 184.327 1.987 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014342 572090794 /nfs/dbraw/zinc/09/07/94/572090794.db2.gz KUTBHZUGKHTSDL-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+](CC1CC1)C[C@@H]1CCCCC[NH2+]1 82737801 572090874 /nfs/dbraw/zinc/09/08/74/572090874.db2.gz YBISNRABUKOTTM-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@@H]1CCCCC[NH2+]1 82737801 572090877 /nfs/dbraw/zinc/09/08/77/572090877.db2.gz YBISNRABUKOTTM-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014549 572090923 /nfs/dbraw/zinc/09/09/23/572090923.db2.gz IAZPVRSEKZGHNR-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85016026 572090933 /nfs/dbraw/zinc/09/09/33/572090933.db2.gz NJAGTLOAFGKZBJ-KKOKHZNYSA-N 2 1 196.338 1.702 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 85014773 572092265 /nfs/dbraw/zinc/09/22/65/572092265.db2.gz QOLUJEQKNGLIII-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014559 572091020 /nfs/dbraw/zinc/09/10/20/572091020.db2.gz SBQLPULFTSDZFS-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](CC1CCC1)C[C@H]1CC[C@H]([NH3+])C1 85015762 572091122 /nfs/dbraw/zinc/09/11/22/572091122.db2.gz ZBPGZLWSRZFNOG-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@H]1CC[C@H]([NH3+])C1 85016041 572091224 /nfs/dbraw/zinc/09/12/24/572091224.db2.gz UVYKSAIXZKUUKP-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@@H+](CC[C@H](C)[NH3+])C1CC1 37097161 572091240 /nfs/dbraw/zinc/09/12/40/572091240.db2.gz YFVPCUOZIXNNHR-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@@H+](CC1CCC1)C[C@@H]1CC[C@H]([NH3+])C1 85015759 572091305 /nfs/dbraw/zinc/09/13/05/572091305.db2.gz ZBPGZLWSRZFNOG-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@@H+](CCC(N)=[NH2+])C(C)C 37096286 572091326 /nfs/dbraw/zinc/09/13/26/572091326.db2.gz UAWZPWWOZQDDMG-UHFFFAOYSA-N 2 1 171.288 1.433 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@H]1CC[C@H]([NH3+])C1 85014776 572091390 /nfs/dbraw/zinc/09/13/90/572091390.db2.gz QOLUJEQKNGLIII-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@@H+](CCCC[NH3+])C1CC1 37096790 572091478 /nfs/dbraw/zinc/09/14/78/572091478.db2.gz RZEZQEWBKGVGIJ-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014338 572091496 /nfs/dbraw/zinc/09/14/96/572091496.db2.gz KUTBHZUGKHTSDL-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CC1 85014542 572091566 /nfs/dbraw/zinc/09/15/66/572091566.db2.gz JBOZDOWNRCEJHB-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H](C)C(N)=[NH2+] 37095159 572091577 /nfs/dbraw/zinc/09/15/77/572091577.db2.gz PQZAZSILRQXHGY-MRVPVSSYSA-N 2 1 171.288 1.290 10 0 ADAEMP CCC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 85014540 572091896 /nfs/dbraw/zinc/09/18/96/572091896.db2.gz JBOZDOWNRCEJHB-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1CC[C@H]([NH3+])C1 85014531 572091954 /nfs/dbraw/zinc/09/19/54/572091954.db2.gz SVHZFQKJQCRPSV-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 85014528 572092070 /nfs/dbraw/zinc/09/20/70/572092070.db2.gz SVHZFQKJQCRPSV-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[C@H]([NH3+])C1)C(C)C 85014513 572092401 /nfs/dbraw/zinc/09/24/01/572092401.db2.gz GQQBUXKQUWNJPC-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1CC[C@H]([NH3+])C1 85014552 572092525 /nfs/dbraw/zinc/09/25/25/572092525.db2.gz IAZPVRSEKZGHNR-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CC1 85014502 572092544 /nfs/dbraw/zinc/09/25/44/572092544.db2.gz BVTITSAVJMTOEL-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CCC1=CCCCC1 235128602 572092717 /nfs/dbraw/zinc/09/27/17/572092717.db2.gz AGRKIJKDYITEQB-JTQLQIEISA-N 2 1 182.311 1.814 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CC1(C)CCCCC1 235126944 572092763 /nfs/dbraw/zinc/09/27/63/572092763.db2.gz FVHVGRALOBMSMG-JTQLQIEISA-N 2 1 184.327 1.894 10 0 ADAEMP CC(C)[NH2+][C@@H](C)C[N@H+](C)C(C)C 238200183 572093526 /nfs/dbraw/zinc/09/35/26/572093526.db2.gz GWPTVLFNYQUJKU-JTQLQIEISA-N 2 1 172.316 1.713 10 0 ADAEMP CC(C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C 238200183 572093529 /nfs/dbraw/zinc/09/35/29/572093529.db2.gz GWPTVLFNYQUJKU-JTQLQIEISA-N 2 1 172.316 1.713 10 0 ADAEMP CCC[N@@H+](C)CCCC(N)=[NH2+] 37098484 572093655 /nfs/dbraw/zinc/09/36/55/572093655.db2.gz RFFOCNRUAXYHHR-UHFFFAOYSA-N 2 1 157.261 1.044 10 0 ADAEMP CCC[N@@H+](C)Cc1ccc(C[NH3+])cc1 37097936 572093677 /nfs/dbraw/zinc/09/36/77/572093677.db2.gz AJFCSXSHFMJDGT-UHFFFAOYSA-N 2 1 192.306 1.987 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CCCCC(F)(F)F 235128873 572093760 /nfs/dbraw/zinc/09/37/60/572093760.db2.gz CMTKMDFBIMZBTO-ZETCQYMHSA-N 2 1 198.232 1.656 10 0 ADAEMP CCC[N@@H+](C)Cc1ccccc1C[NH3+] 37097935 572093867 /nfs/dbraw/zinc/09/38/67/572093867.db2.gz BARLNBHROVEZBD-UHFFFAOYSA-N 2 1 192.306 1.987 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+](C)CC(C)C 37108656 572094256 /nfs/dbraw/zinc/09/42/56/572094256.db2.gz ARHPOAGMFFKYSZ-SECBINFHSA-N 2 1 185.315 1.679 10 0 ADAEMP CCC[N@@H+](CCCC(N)=[NH2+])C1CC1 37097431 572095143 /nfs/dbraw/zinc/09/51/43/572095143.db2.gz SWDQKZIEOIUCTC-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H](CC)CC[NH3+] 37109513 572095317 /nfs/dbraw/zinc/09/53/17/572095317.db2.gz JWCMQLHBXNRJSU-UWVGGRQHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])CC(C)C 37111015 572095673 /nfs/dbraw/zinc/09/56/73/572095673.db2.gz ATOPHNJRRYBPLB-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)CCCC(N)=[NH2+] 37113325 572095972 /nfs/dbraw/zinc/09/59/72/572095972.db2.gz MDHKOMKJFSTDGY-SECBINFHSA-N 2 1 185.315 1.823 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCCC(N)=[NH2+] 37110353 572096015 /nfs/dbraw/zinc/09/60/15/572096015.db2.gz UPFWICUMZPENSK-QMMMGPOBSA-N 2 1 171.288 1.433 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 37109980 572096052 /nfs/dbraw/zinc/09/60/52/572096052.db2.gz YMQBZZJCTWOXCX-RKDXNWHRSA-N 2 1 158.289 1.454 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CC1CCSCC1 235127818 572096169 /nfs/dbraw/zinc/09/61/69/572096169.db2.gz VOECNHLDYIWECU-QMMMGPOBSA-N 2 1 188.340 1.066 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 37110347 572096257 /nfs/dbraw/zinc/09/62/57/572096257.db2.gz NQDWSCARWNASTK-SFYZADRCSA-N 2 1 171.288 1.289 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC[C@@H](C)[NH3+] 37109981 572096605 /nfs/dbraw/zinc/09/66/05/572096605.db2.gz YMQBZZJCTWOXCX-BDAKNGLRSA-N 2 1 158.289 1.454 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[C@@H]1N 37112898 572096619 /nfs/dbraw/zinc/09/66/19/572096619.db2.gz XARPUIBPUUFRKK-GARJFASQSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 37110346 572097087 /nfs/dbraw/zinc/09/70/87/572097087.db2.gz NQDWSCARWNASTK-HTQZYQBOSA-N 2 1 171.288 1.289 10 0 ADAEMP CCN(CC(C)C)C[C@@H]([NH3+])C(C)C 37111778 572097130 /nfs/dbraw/zinc/09/71/30/572097130.db2.gz YVSLGVZPCUCDKK-LLVKDONJSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[N@@H+](CCCC(N)=[NH2+])CC(C)C 37111660 572097310 /nfs/dbraw/zinc/09/73/10/572097310.db2.gz XYYZVEHHWPGSLL-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP CCN(CC(C)C)C[C@H]([NH3+])C(C)C 37111777 572097504 /nfs/dbraw/zinc/09/75/04/572097504.db2.gz YVSLGVZPCUCDKK-NSHDSACASA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+](C)[C@H](C)CC 37110344 572097549 /nfs/dbraw/zinc/09/75/49/572097549.db2.gz PNWDHLYFXFUYCA-BDAKNGLRSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H](CC)CC(N)=[NH2+] 37110345 572097904 /nfs/dbraw/zinc/09/79/04/572097904.db2.gz PNWDHLYFXFUYCA-IUCAKERBSA-N 2 1 185.315 1.821 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]2[C@@H]1CCC[N@H+]2C 34589503 572098238 /nfs/dbraw/zinc/09/82/38/572098238.db2.gz AVXTWMLZJCZFEE-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)CCCC[NH3+] 37112436 572098849 /nfs/dbraw/zinc/09/88/49/572098849.db2.gz KRFIMHALNJZXJF-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CC1(C2CC2)CC1 235127962 572098887 /nfs/dbraw/zinc/09/88/87/572098887.db2.gz ZCPCYGLAMJOTRE-QMMMGPOBSA-N 2 1 168.284 1.113 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)CCCC(N)=[NH2+] 37113326 572099118 /nfs/dbraw/zinc/09/91/18/572099118.db2.gz MDHKOMKJFSTDGY-VIFPVBQESA-N 2 1 185.315 1.823 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCCC(N)=[NH2+] 37110352 572099163 /nfs/dbraw/zinc/09/91/63/572099163.db2.gz UPFWICUMZPENSK-MRVPVSSYSA-N 2 1 171.288 1.433 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)CCCC[NH3+] 37112435 572099247 /nfs/dbraw/zinc/09/92/47/572099247.db2.gz KRFIMHALNJZXJF-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)Cc1[nH+]ccn1C 82763897 572099675 /nfs/dbraw/zinc/09/96/75/572099675.db2.gz YTOFKLSYLGJOMQ-SNVBAGLBSA-N 2 1 195.310 1.597 10 0 ADAEMP C[NH2+]C[C@H](C)Cc1ccc[nH+]c1N 82763449 572099830 /nfs/dbraw/zinc/09/98/30/572099830.db2.gz RBJOHPARUSZRML-MRVPVSSYSA-N 2 1 179.267 1.062 10 0 ADAEMP CCC[NH2+]C[C@@H](C)Cc1[nH+]ccn1C 82763718 572099853 /nfs/dbraw/zinc/09/98/53/572099853.db2.gz BMIFWJOWVFWFNV-JTQLQIEISA-N 2 1 195.310 1.598 10 0 ADAEMP C[N@@H+](CCCC[NH3+])[C@H]1CCSC1 37116250 572099915 /nfs/dbraw/zinc/09/99/15/572099915.db2.gz NIVVERWADNOAHY-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP C[N@@H+](CCCC[NH3+])[C@@H]1CCSC1 37116249 572100029 /nfs/dbraw/zinc/10/00/29/572100029.db2.gz NIVVERWADNOAHY-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CC[NH2+]C[C@H](C)Cc1[nH+]ccn1C 82763491 572100192 /nfs/dbraw/zinc/10/01/92/572100192.db2.gz HRUGGNMQTOARKL-SECBINFHSA-N 2 1 181.283 1.208 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)C[NH3+] 82763027 572100312 /nfs/dbraw/zinc/10/03/12/572100312.db2.gz YZHDJWKGINGYCY-QMMMGPOBSA-N 2 1 167.256 1.040 10 0 ADAEMP C[NH2+]C[C@H](C)CCc1ccc[nH+]c1N 82763451 572100392 /nfs/dbraw/zinc/10/03/92/572100392.db2.gz UKMQTRWLCBKOBH-SECBINFHSA-N 2 1 193.294 1.452 10 0 ADAEMP CC[NH2+]C[C@H](C)Cc1ccc[nH+]c1N 82763679 572100407 /nfs/dbraw/zinc/10/04/07/572100407.db2.gz BASZKRRQQXWKJY-SECBINFHSA-N 2 1 193.294 1.452 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@H](C)[NH3+] 37108384 572100607 /nfs/dbraw/zinc/10/06/07/572100607.db2.gz PYHZEOGERLMPLW-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP C[NH2+]C[C@@H](C)CCc1ccc[nH+]c1N 82763450 572100626 /nfs/dbraw/zinc/10/06/26/572100626.db2.gz UKMQTRWLCBKOBH-VIFPVBQESA-N 2 1 193.294 1.452 10 0 ADAEMP CC[NH2+]C[C@H](C)Cc1[nH+]ccn1CC 82763519 572100663 /nfs/dbraw/zinc/10/06/63/572100663.db2.gz NADBNGONTACEHC-SNVBAGLBSA-N 2 1 195.310 1.691 10 0 ADAEMP CSC1(C[NH2+][C@@H](C)C[NH3+])CCC1 235132227 572100737 /nfs/dbraw/zinc/10/07/37/572100737.db2.gz XTADZMKXLVSZGG-QMMMGPOBSA-N 2 1 188.340 1.209 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)C[NH2+]C 82763256 572100757 /nfs/dbraw/zinc/10/07/57/572100757.db2.gz DSWFJMZGQTXRAF-SECBINFHSA-N 2 1 181.283 1.301 10 0 ADAEMP CC[NH2+]C[C@@H](C)Cc1ccc[nH+]c1N 82763678 572100791 /nfs/dbraw/zinc/10/07/91/572100791.db2.gz BASZKRRQQXWKJY-VIFPVBQESA-N 2 1 193.294 1.452 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)C[NH2+]C 82763257 572101264 /nfs/dbraw/zinc/10/12/64/572101264.db2.gz DSWFJMZGQTXRAF-VIFPVBQESA-N 2 1 181.283 1.301 10 0 ADAEMP C[NH2+]C[C@@H](C)Cc1ccc[nH+]c1N 82763448 572101024 /nfs/dbraw/zinc/10/10/24/572101024.db2.gz RBJOHPARUSZRML-QMMMGPOBSA-N 2 1 179.267 1.062 10 0 ADAEMP C[C@@H](C[NH3+])CCc1ccc[nH+]c1N 82763185 572101040 /nfs/dbraw/zinc/10/10/40/572101040.db2.gz BZUNCPUAABXIBX-MRVPVSSYSA-N 2 1 179.267 1.191 10 0 ADAEMP CC[NH2+]C[C@@H](C)Cc1[nH+]ccn1C 82763490 572101190 /nfs/dbraw/zinc/10/11/90/572101190.db2.gz HRUGGNMQTOARKL-VIFPVBQESA-N 2 1 181.283 1.208 10 0 ADAEMP CC(C)[NH2+]C[C@@H](C)Cc1[nH+]ccn1C 82763896 572101401 /nfs/dbraw/zinc/10/14/01/572101401.db2.gz YTOFKLSYLGJOMQ-JTQLQIEISA-N 2 1 195.310 1.597 10 0 ADAEMP CCC[NH2+]C[C@H](C)Cc1[nH+]ccn1C 82763719 572101544 /nfs/dbraw/zinc/10/15/44/572101544.db2.gz BMIFWJOWVFWFNV-SNVBAGLBSA-N 2 1 195.310 1.598 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)C[NH3+] 82763026 572101624 /nfs/dbraw/zinc/10/16/24/572101624.db2.gz YZHDJWKGINGYCY-MRVPVSSYSA-N 2 1 167.256 1.040 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 37159639 572101873 /nfs/dbraw/zinc/10/18/73/572101873.db2.gz LUJSWOGFDROTGS-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 37159544 572101979 /nfs/dbraw/zinc/10/19/79/572101979.db2.gz KWARGXOWPJAQHP-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 37159505 572102063 /nfs/dbraw/zinc/10/20/63/572102063.db2.gz AZBASKATSPANLQ-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 37159542 572102115 /nfs/dbraw/zinc/10/21/15/572102115.db2.gz OLSRIDHQHJXCOV-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 37159546 572102176 /nfs/dbraw/zinc/10/21/76/572102176.db2.gz KWARGXOWPJAQHP-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H](C[NH3+])CCc1ccc[nH+]c1N 82765402 572102932 /nfs/dbraw/zinc/10/29/32/572102932.db2.gz BZUNCPUAABXIBX-QMMMGPOBSA-N 2 1 179.267 1.191 10 0 ADAEMP C[C@H](C[NH2+]C1CC1)Cc1[nH+]ccn1C 82764054 572102265 /nfs/dbraw/zinc/10/22/65/572102265.db2.gz XPCURYRLVSFUFV-VIFPVBQESA-N 2 1 193.294 1.351 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 37159597 572102292 /nfs/dbraw/zinc/10/22/92/572102292.db2.gz JRBDZHOLIOYXEO-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CCC[C@@H]1C[NH3+] 37159427 572102418 /nfs/dbraw/zinc/10/24/18/572102418.db2.gz NKRDZKANPLGCMY-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@H](C)c1nccs1 235135600 572102593 /nfs/dbraw/zinc/10/25/93/572102593.db2.gz CHPWEANMSANVLW-YUMQZZPRSA-N 2 1 199.323 1.183 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37159508 572102630 /nfs/dbraw/zinc/10/26/30/572102630.db2.gz AZBASKATSPANLQ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)Cc1[nH+]ccn1C 82764055 572102640 /nfs/dbraw/zinc/10/26/40/572102640.db2.gz XPCURYRLVSFUFV-SECBINFHSA-N 2 1 193.294 1.351 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CCC[C@@H]1C[NH3+] 37159429 572102647 /nfs/dbraw/zinc/10/26/47/572102647.db2.gz NKRDZKANPLGCMY-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 37159595 572102666 /nfs/dbraw/zinc/10/26/66/572102666.db2.gz JRBDZHOLIOYXEO-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37159540 572102691 /nfs/dbraw/zinc/10/26/91/572102691.db2.gz OLSRIDHQHJXCOV-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CCCC(N)=[NH2+] 37173360 572103812 /nfs/dbraw/zinc/10/38/12/572103812.db2.gz VFVUNCTXMYQCLC-SECBINFHSA-N 2 1 185.315 1.680 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CC[C@@H](C)[NH3+] 37172885 572103898 /nfs/dbraw/zinc/10/38/98/572103898.db2.gz JSMTXNFQMMHMMA-VHSXEESVSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CC[C@@H](C)[NH3+] 37172884 572103939 /nfs/dbraw/zinc/10/39/39/572103939.db2.gz JSMTXNFQMMHMMA-NXEZZACHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 37173354 572104007 /nfs/dbraw/zinc/10/40/07/572104007.db2.gz IYNMPAAYCCSNFJ-RKDXNWHRSA-N 2 1 185.315 1.536 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CCCC[NH3+] 37172421 572104012 /nfs/dbraw/zinc/10/40/12/572104012.db2.gz XKOQLSKXZDSSMC-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CCCC(N)=[NH2+] 37173361 572104081 /nfs/dbraw/zinc/10/40/81/572104081.db2.gz VFVUNCTXMYQCLC-VIFPVBQESA-N 2 1 185.315 1.680 10 0 ADAEMP CC[N@@H+](C)CCC1([NH3+])CCCCC1 82772872 572107133 /nfs/dbraw/zinc/10/71/33/572107133.db2.gz WTUFMZIISHHDDP-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C1 235140103 572105489 /nfs/dbraw/zinc/10/54/89/572105489.db2.gz NMLJPFDLJDAROO-XHNCKOQMSA-N 2 1 188.340 1.207 10 0 ADAEMP C[C@H]([NH2+]CC1CC1)[C@@H]1CCC[N@@H+](C)C1 37208770 572106031 /nfs/dbraw/zinc/10/60/31/572106031.db2.gz ZPAFMDFORMQPEU-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]([NH2+]CC1CC1)[C@H]1CCC[N@@H+](C)C1 37208772 572106102 /nfs/dbraw/zinc/10/61/02/572106102.db2.gz ZPAFMDFORMQPEU-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](CCC(C)(C)[NH3+])C1CC1 82772874 572106806 /nfs/dbraw/zinc/10/68/06/572106806.db2.gz YSNZKAHPIMZQNP-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C 234055802 572106965 /nfs/dbraw/zinc/10/69/65/572106965.db2.gz XLLZTSOJDAEMJD-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CCCC1)C1CC1 82772876 572106970 /nfs/dbraw/zinc/10/69/70/572106970.db2.gz MGLYTBKPOANFSD-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])C1CCCC1 82772887 572107109 /nfs/dbraw/zinc/10/71/09/572107109.db2.gz FCIPNTVBTTZTGO-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC(C)(C)[NH3+] 82773447 572107161 /nfs/dbraw/zinc/10/71/61/572107161.db2.gz AZLJJMLNPHCGFG-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82772906 572107169 /nfs/dbraw/zinc/10/71/69/572107169.db2.gz LTXCHVWKTGCCMX-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC(C)C[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 37264999 572107252 /nfs/dbraw/zinc/10/72/52/572107252.db2.gz JSHWVDSKLHOJGG-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])CC1CCC1 82773371 572107314 /nfs/dbraw/zinc/10/73/14/572107314.db2.gz ROSIYVJLNKQUNQ-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCC(C)(C)[NH3+] 82772964 572107421 /nfs/dbraw/zinc/10/74/21/572107421.db2.gz LVKIUZSKQMMOED-VIFPVBQESA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CCCC1)CC1CC1 82773022 572108142 /nfs/dbraw/zinc/10/81/42/572108142.db2.gz FGOUEUMCVOQZIB-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP Cc1ccc(C[NH2+]CCC(C)(C)[NH3+])o1 82773349 572107573 /nfs/dbraw/zinc/10/75/73/572107573.db2.gz OCULXULOFMZWFG-UHFFFAOYSA-N 2 1 196.294 1.805 10 0 ADAEMP CC(C)([NH3+])CC[NH2+]Cc1ccco1 82773046 572107618 /nfs/dbraw/zinc/10/76/18/572107618.db2.gz IJKBGFXTQMZXCE-UHFFFAOYSA-N 2 1 182.267 1.497 10 0 ADAEMP CCC[N@@H+](C)CCC1([NH3+])CCCC1 82772898 572107624 /nfs/dbraw/zinc/10/76/24/572107624.db2.gz SCHKYADTEOUCLH-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC(C)(C)[NH3+] 82773446 572107744 /nfs/dbraw/zinc/10/77/44/572107744.db2.gz AZLJJMLNPHCGFG-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[N@@H+](C)CCC(C)(C)[NH3+] 82772902 572107795 /nfs/dbraw/zinc/10/77/95/572107795.db2.gz SXAWRPJLNVNVQL-UHFFFAOYSA-N 2 1 172.316 1.702 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])CC1CC1 82773023 572108069 /nfs/dbraw/zinc/10/80/69/572108069.db2.gz JNWJHMCPQCYSDZ-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](CCC(C)(C)[NH3+])C(C)C 82772880 572108089 /nfs/dbraw/zinc/10/80/89/572108089.db2.gz UQXWLSXPLOLYDJ-UHFFFAOYSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[N@@H+](C)CCC(C)(C)[NH3+] 82772899 572108311 /nfs/dbraw/zinc/10/83/11/572108311.db2.gz HSYXDOHDQKOXOW-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP COC[C@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82773163 572108360 /nfs/dbraw/zinc/10/83/60/572108360.db2.gz YQTXPQIKEVLYAI-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)C[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 37264998 572108361 /nfs/dbraw/zinc/10/83/61/572108361.db2.gz JSHWVDSKLHOJGG-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@H+](CCC(C)(C)[NH3+])Cc1ccco1 82772938 572108418 /nfs/dbraw/zinc/10/84/18/572108418.db2.gz BJBJMSAZHVHXIR-UHFFFAOYSA-N 2 1 196.294 1.839 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])Cc1ccco1 82772938 572108421 /nfs/dbraw/zinc/10/84/21/572108421.db2.gz BJBJMSAZHVHXIR-UHFFFAOYSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82772907 572108476 /nfs/dbraw/zinc/10/84/76/572108476.db2.gz LTXCHVWKTGCCMX-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP C[N@H+](CCC(C)(C)[NH3+])Cc1ccoc1 82773115 572108683 /nfs/dbraw/zinc/10/86/83/572108683.db2.gz VNXVFLGPMSLCBZ-UHFFFAOYSA-N 2 1 196.294 1.839 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])Cc1ccoc1 82773115 572108684 /nfs/dbraw/zinc/10/86/84/572108684.db2.gz VNXVFLGPMSLCBZ-UHFFFAOYSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CCC(C)(C)[NH3+] 82773019 572108728 /nfs/dbraw/zinc/10/87/28/572108728.db2.gz XYHCLAJGWRUORX-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](C)CCC1([NH3+])CCCC1 82772870 572108917 /nfs/dbraw/zinc/10/89/17/572108917.db2.gz PFXYLMDQEXTLOX-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[N@@H+](CCC(C)(C)[NH3+])C1CC1 82772896 572109251 /nfs/dbraw/zinc/10/92/51/572109251.db2.gz KFGDOTGINKOUFY-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)([NH3+])CC[N@@H+](CC1CC1)C1CC1 82773491 572109290 /nfs/dbraw/zinc/10/92/90/572109290.db2.gz KXCHXPYXUMAOIN-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)([NH3+])CC[N@H+]1C[C@H]2CC[C@@H]1C2 82773195 572109307 /nfs/dbraw/zinc/10/93/07/572109307.db2.gz RDPCQNYDDNLWJZ-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP COC[C@@H](C)[N@@H+](C)CCC(C)(C)[NH3+] 82773164 572109319 /nfs/dbraw/zinc/10/93/19/572109319.db2.gz YQTXPQIKEVLYAI-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[N@@H+](CC)CCC(C)(C)[NH3+] 82772890 572109515 /nfs/dbraw/zinc/10/95/15/572109515.db2.gz QPBVVDAYQYCNEQ-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CC(C)[N@@H+](C)CCC1([NH3+])CCCC1 82772842 572109620 /nfs/dbraw/zinc/10/96/20/572109620.db2.gz YBBAGIYBWDXHBC-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP COCCC[N@@H+](C)CCC(C)(C)[NH3+] 82773385 572109924 /nfs/dbraw/zinc/10/99/24/572109924.db2.gz RMVBPFLTYHXTOW-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[NH2+]CC[NH2+]C1(C)CCCC1 82785907 572110458 /nfs/dbraw/zinc/11/04/58/572110458.db2.gz RZHYVIJTDQLSFT-UHFFFAOYSA-N 2 1 170.300 1.518 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC(C)(C)[NH3+] 82777073 572111479 /nfs/dbraw/zinc/11/14/79/572111479.db2.gz AZLJJMLNPHCGFG-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCC(C)(C)[NH3+] 82777074 572112065 /nfs/dbraw/zinc/11/20/65/572112065.db2.gz AZLJJMLNPHCGFG-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C1(C)CCCC1 82785820 572112234 /nfs/dbraw/zinc/11/22/34/572112234.db2.gz RPZRILQMGQERGR-SECBINFHSA-N 2 1 170.300 1.517 10 0 ADAEMP CC[N@@H+](CCC(C)(C)[NH3+])CC1CC1 82777080 572112272 /nfs/dbraw/zinc/11/22/72/572112272.db2.gz DPFJQAQKCUEZLD-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(F)(F)F 235143126 572112367 /nfs/dbraw/zinc/11/23/67/572112367.db2.gz HFLITORBTABPJZ-WDSKDSINSA-N 2 1 184.205 1.264 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C1(C)CCCC1 82785819 572112402 /nfs/dbraw/zinc/11/24/02/572112402.db2.gz RPZRILQMGQERGR-VIFPVBQESA-N 2 1 170.300 1.517 10 0 ADAEMP CC[C@@](C)([NH3+])c1c[nH+]ccc1N 687784995 572113911 /nfs/dbraw/zinc/11/39/11/572113911.db2.gz JFKMADXFPOARRN-SECBINFHSA-N 2 1 165.240 1.078 10 0 ADAEMP CC(=O)C[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 82792550 572114119 /nfs/dbraw/zinc/11/41/19/572114119.db2.gz NGCRVAQQDGTYJX-VIFPVBQESA-N 2 1 198.310 1.038 10 0 ADAEMP CCC([NH3+])(CC)c1c[nH+]ccc1N 687785001 572114225 /nfs/dbraw/zinc/11/42/25/572114225.db2.gz MTKGNPPGCRYSQL-UHFFFAOYSA-N 2 1 179.267 1.468 10 0 ADAEMP CC(=O)C[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 82792551 572114894 /nfs/dbraw/zinc/11/48/94/572114894.db2.gz NGCRVAQQDGTYJX-SECBINFHSA-N 2 1 198.310 1.038 10 0 ADAEMP CC[C@](C)([NH3+])c1c[nH+]ccc1N 687784996 572115073 /nfs/dbraw/zinc/11/50/73/572115073.db2.gz JFKMADXFPOARRN-VIFPVBQESA-N 2 1 165.240 1.078 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH2+]C 82801263 572115652 /nfs/dbraw/zinc/11/56/52/572115652.db2.gz KQNPCKPNJVSDMU-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C(C)C 82800974 572115723 /nfs/dbraw/zinc/11/57/23/572115723.db2.gz SYCPQQMXDFTNNH-NXEZZACHSA-N 2 1 172.316 1.713 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801056 572115853 /nfs/dbraw/zinc/11/58/53/572115853.db2.gz PCSMCTFLQNXFFL-ZJUUUORDSA-N 2 1 172.316 1.844 10 0 ADAEMP COC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801891 572116125 /nfs/dbraw/zinc/11/61/25/572116125.db2.gz KUTUDEMGYZAQDV-UTLUCORTSA-N 2 1 188.315 1.079 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)CC1CC1 82801598 572115919 /nfs/dbraw/zinc/11/59/19/572115919.db2.gz GYAPADGIWABDPD-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801250 572115942 /nfs/dbraw/zinc/11/59/42/572115942.db2.gz NLNSREVBGLVXJS-ZJUUUORDSA-N 2 1 184.327 1.987 10 0 ADAEMP C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)C1CC1 82801180 572115996 /nfs/dbraw/zinc/11/59/96/572115996.db2.gz SWSFKMZHKOTTRH-IUCAKERBSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801605 572116604 /nfs/dbraw/zinc/11/66/04/572116604.db2.gz BLVBBUUPQBVAAN-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H](C)C[C@@H](C)[NH3+] 82801191 572116046 /nfs/dbraw/zinc/11/60/46/572116046.db2.gz NMHTVQBRTFHMKB-NXEZZACHSA-N 2 1 172.316 1.843 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)CC1CC1 82801599 572116087 /nfs/dbraw/zinc/11/60/87/572116087.db2.gz GYAPADGIWABDPD-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801577 572116110 /nfs/dbraw/zinc/11/61/10/572116110.db2.gz JXGVNXULAXEKMB-UTLUCORTSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801587 572116146 /nfs/dbraw/zinc/11/61/46/572116146.db2.gz VIZVSRPWJSGHMT-VWYCJHECSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801261 572116158 /nfs/dbraw/zinc/11/61/58/572116158.db2.gz VBMRHZFSFYBHCV-RKDXNWHRSA-N 2 1 158.289 1.454 10 0 ADAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)C1CC1 82801178 572116192 /nfs/dbraw/zinc/11/61/92/572116192.db2.gz SWSFKMZHKOTTRH-DTWKUNHWSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CC[C@@H](C)C1 82801624 572116212 /nfs/dbraw/zinc/11/62/12/572116212.db2.gz QVCUHDBEWPXQRL-MXWKQRLJSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)C[C@@H](C)[NH2+]C 82801165 572116227 /nfs/dbraw/zinc/11/62/27/572116227.db2.gz BXMCKTAWNSTXKO-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[NH2+]C[C@H]1CC1(C)C 235144323 572116275 /nfs/dbraw/zinc/11/62/75/572116275.db2.gz CLJWSFVUDBGDIF-VHSXEESVSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 82800940 572116304 /nfs/dbraw/zinc/11/63/04/572116304.db2.gz NGDBILYATBQIMS-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)C[C@@H](C)[NH3+] 82801230 572116350 /nfs/dbraw/zinc/11/63/50/572116350.db2.gz JWRBCPNHLVDRRA-ZJUUUORDSA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801602 572116358 /nfs/dbraw/zinc/11/63/58/572116358.db2.gz BLVBBUUPQBVAAN-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[NH2+]C[C@@H]1CC1(C)C 235144119 572116375 /nfs/dbraw/zinc/11/63/75/572116375.db2.gz CLJWSFVUDBGDIF-UWVGGRQHSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801273 572116508 /nfs/dbraw/zinc/11/65/08/572116508.db2.gz LDAKPIGOJVAWOW-NXEZZACHSA-N 2 1 172.316 1.700 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801272 572116531 /nfs/dbraw/zinc/11/65/31/572116531.db2.gz LDAKPIGOJVAWOW-ZJUUUORDSA-N 2 1 172.316 1.700 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801152 572116565 /nfs/dbraw/zinc/11/65/65/572116565.db2.gz OIVGAPZFHZHUQI-BDAKNGLRSA-N 2 1 158.289 1.325 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)CC1CC1 82801601 572116810 /nfs/dbraw/zinc/11/68/10/572116810.db2.gz GYAPADGIWABDPD-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C1CC1 82801179 572116863 /nfs/dbraw/zinc/11/68/63/572116863.db2.gz SWSFKMZHKOTTRH-RKDXNWHRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)C1CC1 82801172 572116871 /nfs/dbraw/zinc/11/68/71/572116871.db2.gz IIIOAPMOKQFVBH-UWVGGRQHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH2+]C 82801164 572116892 /nfs/dbraw/zinc/11/68/92/572116892.db2.gz BXMCKTAWNSTXKO-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)CC 82801149 572116918 /nfs/dbraw/zinc/11/69/18/572116918.db2.gz INPDPZXNGJZGHF-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CCCC1 82801217 572117021 /nfs/dbraw/zinc/11/70/21/572117021.db2.gz XTYRRGAZFICOSQ-NXEZZACHSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)CC 82801146 572117290 /nfs/dbraw/zinc/11/72/90/572117290.db2.gz INPDPZXNGJZGHF-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H](C)C[C@@H](C)[NH3+] 82801190 572117054 /nfs/dbraw/zinc/11/70/54/572117054.db2.gz NMHTVQBRTFHMKB-ZJUUUORDSA-N 2 1 172.316 1.843 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCC[C@@H]1C 82801579 572117066 /nfs/dbraw/zinc/11/70/66/572117066.db2.gz AENWMTUCZQXCDB-VWYCJHECSA-N 2 1 184.327 1.857 10 0 ADAEMP CCCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801057 572117080 /nfs/dbraw/zinc/11/70/80/572117080.db2.gz PCSMCTFLQNXFFL-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CCC[C@H]1C 82801578 572117113 /nfs/dbraw/zinc/11/71/13/572117113.db2.gz AENWMTUCZQXCDB-MXWKQRLJSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82801586 572117180 /nfs/dbraw/zinc/11/71/80/572117180.db2.gz VIZVSRPWJSGHMT-OUAUKWLOSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[NH2+][C@@H](C)C[C@@H](C)[N@@H+](C)C1CC1 82801170 572117232 /nfs/dbraw/zinc/11/72/32/572117232.db2.gz IIIOAPMOKQFVBH-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)CC1CC1 82801603 572117330 /nfs/dbraw/zinc/11/73/30/572117330.db2.gz BLVBBUUPQBVAAN-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](CCOC)[C@H](C)C[C@@H](C)[NH3+] 82801865 572117373 /nfs/dbraw/zinc/11/73/73/572117373.db2.gz JJEHOQCCQFXZCF-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[N@@H+](CC)[C@H](C)C[C@@H](C)[NH3+] 82801231 572117434 /nfs/dbraw/zinc/11/74/34/572117434.db2.gz JWRBCPNHLVDRRA-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)CC 82801148 572117635 /nfs/dbraw/zinc/11/76/35/572117635.db2.gz INPDPZXNGJZGHF-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)CC(C)C 82801274 572117845 /nfs/dbraw/zinc/11/78/45/572117845.db2.gz SGFLBHBHMUWAQM-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)C1CC1 82801171 572117883 /nfs/dbraw/zinc/11/78/83/572117883.db2.gz IIIOAPMOKQFVBH-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)CC 82801147 572117952 /nfs/dbraw/zinc/11/79/52/572117952.db2.gz INPDPZXNGJZGHF-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[N@@H+](CCOC)[C@@H](C)C[C@@H](C)[NH3+] 82801864 572117966 /nfs/dbraw/zinc/11/79/66/572117966.db2.gz JJEHOQCCQFXZCF-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CCCC1 82801216 572118004 /nfs/dbraw/zinc/11/80/04/572118004.db2.gz XTYRRGAZFICOSQ-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801456 572118060 /nfs/dbraw/zinc/11/80/60/572118060.db2.gz GWHRBSCWODVZIZ-BBBLOLIVSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)C1CCCC1 82801218 572118105 /nfs/dbraw/zinc/11/81/05/572118105.db2.gz XTYRRGAZFICOSQ-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[N@@H+](C)[C@H](C)C[C@@H](C)[NH2+]C 82801153 572118125 /nfs/dbraw/zinc/11/81/25/572118125.db2.gz OIVGAPZFHZHUQI-RKDXNWHRSA-N 2 1 158.289 1.325 10 0 ADAEMP COC[C@H](C)[N@@H+](C)[C@@H](C)C[C@H](C)[NH3+] 82801890 572118156 /nfs/dbraw/zinc/11/81/56/572118156.db2.gz KUTUDEMGYZAQDV-GUBZILKMSA-N 2 1 188.315 1.079 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C1CC1 82801181 572118305 /nfs/dbraw/zinc/11/83/05/572118305.db2.gz SWSFKMZHKOTTRH-BDAKNGLRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801282 572118343 /nfs/dbraw/zinc/11/83/43/572118343.db2.gz QDKBNUYFHDCTPJ-BBBLOLIVSA-N 2 1 172.316 1.843 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1[C@@H](C)C[C@@H](C)[NH3+] 82800878 572118398 /nfs/dbraw/zinc/11/83/98/572118398.db2.gz IPTBBLZGXCSRHD-VWYCJHECSA-N 2 1 184.327 1.987 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@H+]1CC[C@H](C)C1 82801625 572118409 /nfs/dbraw/zinc/11/84/09/572118409.db2.gz QVCUHDBEWPXQRL-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP COC[C@H](C)[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82801889 572118470 /nfs/dbraw/zinc/11/84/70/572118470.db2.gz KUTUDEMGYZAQDV-BBBLOLIVSA-N 2 1 188.315 1.079 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 82801455 572118537 /nfs/dbraw/zinc/11/85/37/572118537.db2.gz GWHRBSCWODVZIZ-AEJSXWLSSA-N 2 1 184.327 1.843 10 0 ADAEMP COC[C@H](C)[N@@H+](C)[C@H](C)C[C@H](C)[NH3+] 82801888 572118582 /nfs/dbraw/zinc/11/85/82/572118582.db2.gz KUTUDEMGYZAQDV-AEJSXWLSSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82801162 572118600 /nfs/dbraw/zinc/11/86/00/572118600.db2.gz SEZLXCJVIUGYHN-BDAKNGLRSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801283 572118785 /nfs/dbraw/zinc/11/87/85/572118785.db2.gz QDKBNUYFHDCTPJ-UTLUCORTSA-N 2 1 172.316 1.843 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@H+]1CC[C@@H](C)C1 82801622 572118805 /nfs/dbraw/zinc/11/88/05/572118805.db2.gz VVQUSLYYFWSLKR-BBBLOLIVSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH2+]C 82801262 572118953 /nfs/dbraw/zinc/11/89/53/572118953.db2.gz KQNPCKPNJVSDMU-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)[N@@H+](C)CC(C)C 82801275 572118964 /nfs/dbraw/zinc/11/89/64/572118964.db2.gz SGFLBHBHMUWAQM-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)CC1CC1 82801600 572118984 /nfs/dbraw/zinc/11/89/84/572118984.db2.gz GYAPADGIWABDPD-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)[C@@H](C)C1CC1 82801458 572119073 /nfs/dbraw/zinc/11/90/73/572119073.db2.gz GWHRBSCWODVZIZ-UTLUCORTSA-N 2 1 184.327 1.843 10 0 ADAEMP C[NH2+][C@@H](C)C[C@H](C)[N@@H+](C)CC1CC1 82801604 572119102 /nfs/dbraw/zinc/11/91/02/572119102.db2.gz BLVBBUUPQBVAAN-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C1CC1 82801173 572119144 /nfs/dbraw/zinc/11/91/44/572119144.db2.gz IIIOAPMOKQFVBH-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)C[C@@H](C)[NH3+] 82801163 572119216 /nfs/dbraw/zinc/11/92/16/572119216.db2.gz SEZLXCJVIUGYHN-RKDXNWHRSA-N 2 1 170.300 1.597 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C(C)C 82802692 572120784 /nfs/dbraw/zinc/12/07/84/572120784.db2.gz SYCPQQMXDFTNNH-ZJUUUORDSA-N 2 1 172.316 1.713 10 0 ADAEMP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484551 572119408 /nfs/dbraw/zinc/11/94/08/572119408.db2.gz CBGCREFVDMSFNP-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)C[C@@H](C)[NH3+] 82803787 572119461 /nfs/dbraw/zinc/11/94/61/572119461.db2.gz IWOCFTWQJWSFAN-RKDXNWHRSA-N 2 1 181.283 1.744 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)C[C@@H](C)[NH3+] 82802505 572119474 /nfs/dbraw/zinc/11/94/74/572119474.db2.gz UESYKFADOVLWNL-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP COCCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802287 572119485 /nfs/dbraw/zinc/11/94/85/572119485.db2.gz PBLBZPLXAVZKOU-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP COCCC[N@@H+](C)[C@@H](C)C[C@H](C)[NH3+] 82802286 572119493 /nfs/dbraw/zinc/11/94/93/572119493.db2.gz PBLBZPLXAVZKOU-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](CC1CC1)C1CC1 82803411 572119647 /nfs/dbraw/zinc/11/96/47/572119647.db2.gz JWQARQNMRZWHLS-UWVGGRQHSA-N 2 1 196.338 1.987 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)C[C@@H](C)[NH3+] 82803785 572119711 /nfs/dbraw/zinc/11/97/11/572119711.db2.gz IWOCFTWQJWSFAN-BDAKNGLRSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802491 572119811 /nfs/dbraw/zinc/11/98/11/572119811.db2.gz NXXGCSYOLFKTIL-VLEAKVRGSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)CC1CCC1 82802234 572119904 /nfs/dbraw/zinc/11/99/04/572119904.db2.gz YWURRPJKRXMDFU-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)C[C@H](C)[NH3+] 82803788 572119938 /nfs/dbraw/zinc/11/99/38/572119938.db2.gz IWOCFTWQJWSFAN-IUCAKERBSA-N 2 1 181.283 1.744 10 0 ADAEMP CC[N@@H+](C)CCC[NH2+]C(C)(C)C 37482929 572119948 /nfs/dbraw/zinc/11/99/48/572119948.db2.gz HCVWXFZXJORFGU-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 82802492 572120831 /nfs/dbraw/zinc/12/08/31/572120831.db2.gz YQAYEHZHWZQWNP-WISYIIOYSA-N 2 1 198.354 1.961 10 0 ADAEMP COCCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 82802285 572120175 /nfs/dbraw/zinc/12/01/75/572120175.db2.gz PBLBZPLXAVZKOU-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+][C@@H](C)C[C@@H](C)n1cc[nH+]c1C 82803582 572120249 /nfs/dbraw/zinc/12/02/49/572120249.db2.gz MVZWQDXGSMTSGJ-DTWKUNHWSA-N 2 1 181.283 1.751 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 82802495 572120254 /nfs/dbraw/zinc/12/02/54/572120254.db2.gz YQAYEHZHWZQWNP-USZNOCQGSA-N 2 1 198.354 1.961 10 0 ADAEMP COCCC[N@@H+](C)[C@H](C)C[C@H](C)[NH3+] 82802284 572120393 /nfs/dbraw/zinc/12/03/93/572120393.db2.gz PBLBZPLXAVZKOU-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)n1cc[nH+]c1C 82803573 572120865 /nfs/dbraw/zinc/12/08/65/572120865.db2.gz MVZWQDXGSMTSGJ-BDAKNGLRSA-N 2 1 181.283 1.751 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)CC1CCC1 82802236 572120956 /nfs/dbraw/zinc/12/09/56/572120956.db2.gz YWURRPJKRXMDFU-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82803408 572121129 /nfs/dbraw/zinc/12/11/29/572121129.db2.gz JWQARQNMRZWHLS-VHSXEESVSA-N 2 1 196.338 1.987 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)C[C@H](C)[NH3+] 82803791 572121211 /nfs/dbraw/zinc/12/12/11/572121211.db2.gz IWOCFTWQJWSFAN-DTWKUNHWSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](CC1CC1)C1CC1 82803409 572121237 /nfs/dbraw/zinc/12/12/37/572121237.db2.gz JWQARQNMRZWHLS-NXEZZACHSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 82802493 572121362 /nfs/dbraw/zinc/12/13/62/572121362.db2.gz YQAYEHZHWZQWNP-WHOHXGKFSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)CC1CCC1 82802237 572121494 /nfs/dbraw/zinc/12/14/94/572121494.db2.gz YWURRPJKRXMDFU-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@@H](C)C[C@H](C)n1cc[nH+]c1C 82803580 572121701 /nfs/dbraw/zinc/12/17/01/572121701.db2.gz MVZWQDXGSMTSGJ-IUCAKERBSA-N 2 1 181.283 1.751 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)CC1CCC1 82802235 572121785 /nfs/dbraw/zinc/12/17/85/572121785.db2.gz YWURRPJKRXMDFU-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 82802494 572121961 /nfs/dbraw/zinc/12/19/61/572121961.db2.gz YQAYEHZHWZQWNP-WYUUTHIRSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)C[C@@H](C)[NH3+] 82802504 572122050 /nfs/dbraw/zinc/12/20/50/572122050.db2.gz UESYKFADOVLWNL-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](CC1CC1)C1CC1 82803413 572122037 /nfs/dbraw/zinc/12/20/37/572122037.db2.gz JWQARQNMRZWHLS-ZJUUUORDSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]Cc1cccc2c1C[N@@H+](C)CC2 214611216 572122109 /nfs/dbraw/zinc/12/21/09/572122109.db2.gz NEMJXSWSVVPOJY-UHFFFAOYSA-N 2 1 190.290 1.394 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)n1cc[nH+]c1C 82803574 572122166 /nfs/dbraw/zinc/12/21/66/572122166.db2.gz MVZWQDXGSMTSGJ-RKDXNWHRSA-N 2 1 181.283 1.751 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H]([C@H](C)[NH2+]C)C1 300331552 572122679 /nfs/dbraw/zinc/12/26/79/572122679.db2.gz YQVOWYRSERQDMA-XMXMHJJKSA-N 2 1 196.338 1.882 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)c1ccc[nH+]c1N 82809687 572122877 /nfs/dbraw/zinc/12/28/77/572122877.db2.gz QOMFNMDGEKCODX-DTWKUNHWSA-N 2 1 193.294 1.765 10 0 ADAEMP C[C@@H](Cc1ccc[nH+]c1N)C[C@@H](C)[NH3+] 82808617 572122898 /nfs/dbraw/zinc/12/28/98/572122898.db2.gz ZPSDIHIOJFWCJW-RKDXNWHRSA-N 2 1 193.294 1.580 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)C[C@H](C)[NH3+] 82807664 572122991 /nfs/dbraw/zinc/12/29/91/572122991.db2.gz SFDTURBMPMFLGK-BDAKNGLRSA-N 2 1 181.283 1.744 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)C[C@H](C)[NH3+] 82807660 572123098 /nfs/dbraw/zinc/12/30/98/572123098.db2.gz SFDTURBMPMFLGK-IUCAKERBSA-N 2 1 181.283 1.744 10 0 ADAEMP CCn1c(N)[nH+]c2c(C[NH3+])cccc21 214608332 572123475 /nfs/dbraw/zinc/12/34/75/572123475.db2.gz HIXPBRGDIBGNPZ-UHFFFAOYSA-N 2 1 190.250 1.097 10 0 ADAEMP C[NH2+][C@@H](C)C[C@@H](C)c1ccc[nH+]c1N 82809692 572123597 /nfs/dbraw/zinc/12/35/97/572123597.db2.gz QOMFNMDGEKCODX-BDAKNGLRSA-N 2 1 193.294 1.765 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)Cc1ccc[nH+]c1N 82808621 572123608 /nfs/dbraw/zinc/12/36/08/572123608.db2.gz ZPSDIHIOJFWCJW-BDAKNGLRSA-N 2 1 193.294 1.580 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)C[C@@H](C)[NH3+] 82807658 572123727 /nfs/dbraw/zinc/12/37/27/572123727.db2.gz SFDTURBMPMFLGK-RKDXNWHRSA-N 2 1 181.283 1.744 10 0 ADAEMP C[NH2+]Cc1ccc2c(c1)CC[N@H+](C)C2 214611291 572123963 /nfs/dbraw/zinc/12/39/63/572123963.db2.gz WKXRUOKGULPWPY-UHFFFAOYSA-N 2 1 190.290 1.394 10 0 ADAEMP C[C@@H]([NH3+])C[C@H](C)Cc1ccc[nH+]c1N 82808619 572124180 /nfs/dbraw/zinc/12/41/80/572124180.db2.gz ZPSDIHIOJFWCJW-DTWKUNHWSA-N 2 1 193.294 1.580 10 0 ADAEMP C[NH2+][C@@H](C)C[C@H](C)c1[nH+]ccn1C 82808757 572124192 /nfs/dbraw/zinc/12/41/92/572124192.db2.gz ZKIWCBFQODENHR-IUCAKERBSA-N 2 1 181.283 1.522 10 0 ADAEMP C[NH2+][C@@H](C)C[C@H](C)c1ccc[nH+]c1N 82809690 572124206 /nfs/dbraw/zinc/12/42/06/572124206.db2.gz QOMFNMDGEKCODX-IUCAKERBSA-N 2 1 193.294 1.765 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)C[C@@H](C)[NH3+] 82807657 572124344 /nfs/dbraw/zinc/12/43/44/572124344.db2.gz SFDTURBMPMFLGK-DTWKUNHWSA-N 2 1 181.283 1.744 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)c1ccc[nH+]c1N 82809689 572124419 /nfs/dbraw/zinc/12/44/19/572124419.db2.gz QOMFNMDGEKCODX-RKDXNWHRSA-N 2 1 193.294 1.765 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)Cc1ccc[nH+]c1N 82808624 572124494 /nfs/dbraw/zinc/12/44/94/572124494.db2.gz ZPSDIHIOJFWCJW-IUCAKERBSA-N 2 1 193.294 1.580 10 0 ADAEMP C[NH2+][C@@H](C)C[C@@H](C)c1[nH+]ccn1C 82808759 572124542 /nfs/dbraw/zinc/12/45/42/572124542.db2.gz ZKIWCBFQODENHR-BDAKNGLRSA-N 2 1 181.283 1.522 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@H](C)C[NH2+]C 69631180 572124848 /nfs/dbraw/zinc/12/48/48/572124848.db2.gz QVKQSQTXVKLKAW-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 300345891 572124623 /nfs/dbraw/zinc/12/46/23/572124623.db2.gz GZMLTCKCOBUCRS-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C[C@@H](C)C[NH2+]C 69631178 572124829 /nfs/dbraw/zinc/12/48/29/572124829.db2.gz QVKQSQTXVKLKAW-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](C)C[C@H](C)c1[nH+]ccn1C 82809837 572124907 /nfs/dbraw/zinc/12/49/07/572124907.db2.gz TVWFHFMEUNZVIX-VHSXEESVSA-N 2 1 195.310 1.912 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH2+]C)[C@H](CC)C1 300343318 572124966 /nfs/dbraw/zinc/12/49/66/572124966.db2.gz LLHURSMCAWFEOT-XCOQAZTISA-N 2 1 196.338 1.882 10 0 ADAEMP C[N@@H+](CCCC(C)(C)[NH3+])C1CC1 69634439 572125064 /nfs/dbraw/zinc/12/50/64/572125064.db2.gz AUSDNPCWJYYKPW-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 300345892 572125178 /nfs/dbraw/zinc/12/51/78/572125178.db2.gz GZMLTCKCOBUCRS-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+]C[C@H](C)C[N@@H+](CC)CC1CC1 69630389 572125356 /nfs/dbraw/zinc/12/53/56/572125356.db2.gz CJHPMFCVSGOIPA-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CCCC(C)(C)[NH3+])C1CC1 69634437 572125426 /nfs/dbraw/zinc/12/54/26/572125426.db2.gz CFFUPKHVRLLOOU-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@H](C)C[C@@H](C)c1[nH+]ccn1C 82809832 572125546 /nfs/dbraw/zinc/12/55/46/572125546.db2.gz TVWFHFMEUNZVIX-NXEZZACHSA-N 2 1 195.310 1.912 10 0 ADAEMP CCC[C@@H](C)[C@H]([NH3+])C[NH+](C)C 300345860 572125757 /nfs/dbraw/zinc/12/57/57/572125757.db2.gz XRGPJZCNRKPFHI-RKDXNWHRSA-N 2 1 158.289 1.312 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)C[C@H]1C[C@@H]1C 69627280 572125821 /nfs/dbraw/zinc/12/58/21/572125821.db2.gz NFWJNYMKCJYRQR-GARJFASQSA-N 2 1 184.327 1.430 10 0 ADAEMP CCC[N@@H+](C)CCCC(C)(C)[NH3+] 69634457 572125938 /nfs/dbraw/zinc/12/59/38/572125938.db2.gz OCSQWYOJTZGAHS-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C[NH3+])C(C)(C)C 43294793 572126062 /nfs/dbraw/zinc/12/60/62/572126062.db2.gz CYTPOYMCYGLIGP-SECBINFHSA-N 2 1 181.283 1.737 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCC(C)(C)[NH3+])C1 69634629 572126252 /nfs/dbraw/zinc/12/62/52/572126252.db2.gz QGBXFUZYDHGPGS-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCC(C)(C)[NH3+])C1 69634628 572127273 /nfs/dbraw/zinc/12/72/73/572127273.db2.gz QGBXFUZYDHGPGS-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCCC(C)(C)[NH3+] 69634565 572126318 /nfs/dbraw/zinc/12/63/18/572126318.db2.gz OGADNUIZBPRGQG-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1C[C@H]1C 69627283 572126329 /nfs/dbraw/zinc/12/63/29/572126329.db2.gz NFWJNYMKCJYRQR-AXFHLTTASA-N 2 1 184.327 1.430 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+](C)CC=C(C)C 300343320 572126411 /nfs/dbraw/zinc/12/64/11/572126411.db2.gz LLJAQKJAYSFSGV-LLVKDONJSA-N 2 1 184.327 1.740 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH2+]CC)[C@H](C)C1 300343159 572126432 /nfs/dbraw/zinc/12/64/32/572126432.db2.gz LCPKVRYXLMJALS-XCOQAZTISA-N 2 1 196.338 1.882 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@H]([NH2+]CC)[C@H](C)C1 300343159 572126434 /nfs/dbraw/zinc/12/64/34/572126434.db2.gz LCPKVRYXLMJALS-XCOQAZTISA-N 2 1 196.338 1.882 10 0 ADAEMP CC[NH2+][C@@H](C)C[C@H](C)c1[nH+]ccn1C 82809835 572126460 /nfs/dbraw/zinc/12/64/60/572126460.db2.gz TVWFHFMEUNZVIX-UWVGGRQHSA-N 2 1 195.310 1.912 10 0 ADAEMP C[N@@H+](CCCC(C)(C)[NH3+])CC1CC1 69634572 572126712 /nfs/dbraw/zinc/12/67/12/572126712.db2.gz NWSONNNEIGIEJW-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C/C=C/C[N@H+](C)C[C@H](C)C[NH2+]C 300345848 572126718 /nfs/dbraw/zinc/12/67/18/572126718.db2.gz XLUGSIZEBKZHEL-BRAIEQGRSA-N 2 1 170.300 1.350 10 0 ADAEMP CC[N@@H+](C)CCCC(C)(C)[NH3+] 69634435 572126720 /nfs/dbraw/zinc/12/67/20/572126720.db2.gz FPSGVICUZSOQPU-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1C[C@@H]1C 69627287 572126763 /nfs/dbraw/zinc/12/67/63/572126763.db2.gz NFWJNYMKCJYRQR-DCAQKATOSA-N 2 1 184.327 1.430 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCCC(C)(C)[NH3+] 69634562 572126830 /nfs/dbraw/zinc/12/68/30/572126830.db2.gz OGADNUIZBPRGQG-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@@H+](CC)CC1CC1 69630386 572126847 /nfs/dbraw/zinc/12/68/47/572126847.db2.gz CJHPMFCVSGOIPA-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+][C@@H](C)C[C@@H](C)c1[nH+]ccn1C 82809830 572126934 /nfs/dbraw/zinc/12/69/34/572126934.db2.gz TVWFHFMEUNZVIX-ZJUUUORDSA-N 2 1 195.310 1.912 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])C(C)(C)C 43294791 572126938 /nfs/dbraw/zinc/12/69/38/572126938.db2.gz CYTPOYMCYGLIGP-VIFPVBQESA-N 2 1 181.283 1.737 10 0 ADAEMP CC(C)([NH3+])CCC[N@H+]1C[C@H]2CC[C@@H]1C2 69634734 572127078 /nfs/dbraw/zinc/12/70/78/572127078.db2.gz VPAVNOGGNHMOTG-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@@H+](C)CCCC(C)(C)[NH3+] 69634402 572127119 /nfs/dbraw/zinc/12/71/19/572127119.db2.gz UVZXENGQAGILHJ-UHFFFAOYSA-N 2 1 172.316 1.844 10 0 ADAEMP COCC[N@@H+](C)CCCC(C)(C)[NH3+] 69634654 572126982 /nfs/dbraw/zinc/12/69/82/572126982.db2.gz HRYWELMICQHYQU-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCn1cc[nH+]c1C(C)(C)C[C@@H](C)[NH3+] 82816302 572128005 /nfs/dbraw/zinc/12/80/05/572128005.db2.gz NBMRHFIMDBSHLL-SECBINFHSA-N 2 1 195.310 1.918 10 0 ADAEMP CCn1cc[nH+]c1C(C)(C)C[C@H](C)[NH3+] 82816303 572128192 /nfs/dbraw/zinc/12/81/92/572128192.db2.gz NBMRHFIMDBSHLL-VIFPVBQESA-N 2 1 195.310 1.918 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)c1[nH+]ccn1C 82821929 572129831 /nfs/dbraw/zinc/12/98/31/572129831.db2.gz ZKIWCBFQODENHR-RKDXNWHRSA-N 2 1 181.283 1.522 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccco1 235151181 572130153 /nfs/dbraw/zinc/13/01/53/572130153.db2.gz ZSSODRAEMQCVAY-BDAKNGLRSA-N 2 1 182.267 1.147 10 0 ADAEMP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1[NH+](C)C 82829593 572130451 /nfs/dbraw/zinc/13/04/51/572130451.db2.gz ZTQPLIIXEJOCEI-ZDCRXTMVSA-N 2 1 184.327 1.571 10 0 ADAEMP CCCC[NH2+][C@H]1CCC[NH2+]C1 43323976 572130556 /nfs/dbraw/zinc/13/05/56/572130556.db2.gz UUBRATADBZZTPW-VIFPVBQESA-N 2 1 156.273 1.128 10 0 ADAEMP C[C@@H]1CC([NH2+]CC[NH3+])C[C@H](C)C1 82830185 572130577 /nfs/dbraw/zinc/13/05/77/572130577.db2.gz IUAUVCLJWNVHLH-ULKQDVFKSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)c1[nH+]ccn1C 82821928 572130694 /nfs/dbraw/zinc/13/06/94/572130694.db2.gz ZKIWCBFQODENHR-DTWKUNHWSA-N 2 1 181.283 1.522 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 69666657 572130713 /nfs/dbraw/zinc/13/07/13/572130713.db2.gz ASQYPRXJYJFCST-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](CC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 69666673 572131017 /nfs/dbraw/zinc/13/10/17/572131017.db2.gz AYYCDSURALLCHO-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@](C)(C(N)=[NH2+])C1 713219531 572131138 /nfs/dbraw/zinc/13/11/38/572131138.db2.gz IACFQFUPGWOZNY-NSHDSACASA-N 2 1 197.326 1.680 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)CC2CC2)C1 69666630 572131282 /nfs/dbraw/zinc/13/12/82/572131282.db2.gz SFRWFHGUDAVIAE-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](CC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 69666677 572131354 /nfs/dbraw/zinc/13/13/54/572131354.db2.gz AYYCDSURALLCHO-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[C@@H](C)CC(C[NH3+])([NH2+]C2CC2)C1 82830930 572131661 /nfs/dbraw/zinc/13/16/61/572131661.db2.gz BHFDLMVEYWXBDJ-DHHPTOIESA-N 2 1 196.338 1.892 10 0 ADAEMP CC[NH2+]C1(C[NH3+])C[C@@H](C)C[C@@H](C)C1 82830917 572131718 /nfs/dbraw/zinc/13/17/18/572131718.db2.gz QMDINLDSQFOFRI-ZACCUICWSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@@H](CC1CC1)[NH2+][C@H]1CCC[NH2+]C1 69670894 572131803 /nfs/dbraw/zinc/13/18/03/572131803.db2.gz BFCUZSMQUHFJHU-RYUDHWBXSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[C@@H](CC1CC1)[NH2+][C@@H]1CCC[NH2+]C1 69670888 572131826 /nfs/dbraw/zinc/13/18/26/572131826.db2.gz BFCUZSMQUHFJHU-NWDGAFQWSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[C@H](CC1CC1)[NH2+][C@@H]1CCC[NH2+]C1 69670891 572132008 /nfs/dbraw/zinc/13/20/08/572132008.db2.gz BFCUZSMQUHFJHU-VXGBXAGGSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 69666530 572132049 /nfs/dbraw/zinc/13/20/49/572132049.db2.gz CILMSLBSDMOQQZ-JBLDHEPKSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CC2CC2)C1 69666627 572132148 /nfs/dbraw/zinc/13/21/48/572132148.db2.gz SFRWFHGUDAVIAE-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](CC1CC1)[NH2+][C@H]1CCC[NH2+]C1 69670897 572132682 /nfs/dbraw/zinc/13/26/82/572132682.db2.gz BFCUZSMQUHFJHU-NEPJUHHUSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H](CC1CC1)[N@H+]1CC[C@H](C[NH3+])C1 69666659 572132686 /nfs/dbraw/zinc/13/26/86/572132686.db2.gz ASQYPRXJYJFCST-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CC[NH3+])C[C@@H]1C 82836871 572132946 /nfs/dbraw/zinc/13/29/46/572132946.db2.gz PKFFNNHFTAPYFF-GUBZILKMSA-N 2 1 170.300 1.359 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CCC[C@H](C(N)=[NH2+])C1 300350374 572133241 /nfs/dbraw/zinc/13/32/41/572133241.db2.gz VIGWCGXCAFTSBB-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CC[C@H](C)[C@@H](C)C1 82837963 572133334 /nfs/dbraw/zinc/13/33/34/572133334.db2.gz GLDYULBMSFYNGC-GUBZILKMSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CC[NH3+])C[C@@H]1C 82836873 572133363 /nfs/dbraw/zinc/13/33/63/572133363.db2.gz PKFFNNHFTAPYFF-LPEHRKFASA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@H]1CC[C@@](C[NH3+])([NH2+]C2CC2)C[C@@H]1C 82837981 572133535 /nfs/dbraw/zinc/13/35/35/572133535.db2.gz RJJPMOUHYHIDDB-JBLDHEPKSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CC[C@@H](C)[C@@H](C)C1 82837962 572133844 /nfs/dbraw/zinc/13/38/44/572133844.db2.gz GLDYULBMSFYNGC-UTLUCORTSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@H]1CC[C@](C[NH3+])([NH2+]C2CC2)C[C@@H]1C 82837984 572134397 /nfs/dbraw/zinc/13/43/97/572134397.db2.gz RJJPMOUHYHIDDB-NHCYSSNCSA-N 2 1 196.338 1.892 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](CCC2([NH3+])CC2)C1 398027429 572134420 /nfs/dbraw/zinc/13/44/20/572134420.db2.gz HXDOLQBDQGMUIL-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](CCC2([NH3+])CC2)C1 398027430 572134613 /nfs/dbraw/zinc/13/46/13/572134613.db2.gz HXDOLQBDQGMUIL-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@H](C(N)=[NH2+])C1 300350373 572134661 /nfs/dbraw/zinc/13/46/61/572134661.db2.gz VIGWCGXCAFTSBB-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@H](C)CC(F)(F)F 235150360 572135019 /nfs/dbraw/zinc/13/50/19/572135019.db2.gz HFLITORBTABPJZ-RITPCOANSA-N 2 1 184.205 1.264 10 0 ADAEMP C[NH2+]CC[C@@H]1CCCC[N@H+]1C(C)C 69730860 572135439 /nfs/dbraw/zinc/13/54/39/572135439.db2.gz CUMGWFFWDXHFFJ-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1CC[NH2+]C 69730746 572135492 /nfs/dbraw/zinc/13/54/92/572135492.db2.gz QRSHOMHREDRULB-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H](CC[NH3+])C1 69724105 572135623 /nfs/dbraw/zinc/13/56/23/572135623.db2.gz QOAXITLZJRZVDX-KXMPLOMGSA-N 2 1 182.311 1.623 10 0 ADAEMP CCC[N@H+]1CCCC[C@@H]1CC[NH2+]C 69730829 572135741 /nfs/dbraw/zinc/13/57/41/572135741.db2.gz YECQKQPYHBIJFK-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69724490 572135906 /nfs/dbraw/zinc/13/59/06/572135906.db2.gz MAWAHMCLJCMQKQ-SCVCMEIPSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]CC1([NH3+])CC1 300377042 572135936 /nfs/dbraw/zinc/13/59/36/572135936.db2.gz FHIVZZYXKYKGJB-BDAKNGLRSA-N 2 1 168.284 1.256 10 0 ADAEMP C/C=C/C[N@H+]1CCCC[C@H]1CC[NH3+] 69721185 572135946 /nfs/dbraw/zinc/13/59/46/572135946.db2.gz LNQIDXNSOLFTNO-VUDBWIFFSA-N 2 1 182.311 1.766 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@@H](CC[NH3+])C1 69724107 572136227 /nfs/dbraw/zinc/13/62/27/572136227.db2.gz QOAXITLZJRZVDX-VUDBWIFFSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C1CCCC1 250231052 572136669 /nfs/dbraw/zinc/13/66/69/572136669.db2.gz GECBTGPFURZKBM-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@H+]1CCCC[C@H]1CC[NH2+]C 69730832 572136740 /nfs/dbraw/zinc/13/67/40/572136740.db2.gz YECQKQPYHBIJFK-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 300352447 572136755 /nfs/dbraw/zinc/13/67/55/572136755.db2.gz LSZASCVEFMCOTR-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C/C=C/C[N@H+]1CCCC[C@@H]1CC[NH3+] 69721182 572137223 /nfs/dbraw/zinc/13/72/23/572137223.db2.gz LNQIDXNSOLFTNO-KXMPLOMGSA-N 2 1 182.311 1.766 10 0 ADAEMP C[NH2+]CC[C@H]1CCCC[N@H+]1C(C)C 69730859 572137235 /nfs/dbraw/zinc/13/72/35/572137235.db2.gz CUMGWFFWDXHFFJ-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H]1C1CCCC1 250231053 572137634 /nfs/dbraw/zinc/13/76/34/572137634.db2.gz GECBTGPFURZKBM-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CCC[C@H](CC[NH3+])C1 69723917 572137695 /nfs/dbraw/zinc/13/76/95/572137695.db2.gz DLLPJFMMFQNTPC-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1CC[NH2+]C 69730748 572137713 /nfs/dbraw/zinc/13/77/13/572137713.db2.gz QRSHOMHREDRULB-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1[C@@H](C)C1CC1 69727546 572137803 /nfs/dbraw/zinc/13/78/03/572137803.db2.gz QXTQZKFOVPPHPZ-GARJFASQSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1C[C@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 300377165 572137826 /nfs/dbraw/zinc/13/78/26/572137826.db2.gz FLJGFOMQMPJQQK-BBBLOLIVSA-N 2 1 184.327 1.748 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 300377170 572137930 /nfs/dbraw/zinc/13/79/30/572137930.db2.gz FLJGFOMQMPJQQK-UTLUCORTSA-N 2 1 184.327 1.748 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@H](CC[NH3+])C1 69723913 572138130 /nfs/dbraw/zinc/13/81/30/572138130.db2.gz DLLPJFMMFQNTPC-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C[NH2+]C[C@@H]([NH3+])C(C)(C)C)CC1 300378577 572138194 /nfs/dbraw/zinc/13/81/94/572138194.db2.gz RZLKESIZHZYISD-SECBINFHSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)(C)C 300377167 572138237 /nfs/dbraw/zinc/13/82/37/572138237.db2.gz FLJGFOMQMPJQQK-KXUCPTDWSA-N 2 1 184.327 1.748 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 300352448 572138273 /nfs/dbraw/zinc/13/82/73/572138273.db2.gz LSZASCVEFMCOTR-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)c1c[nH]c(CCCC[NH3+])[nH+]1 69734725 572140197 /nfs/dbraw/zinc/14/01/97/572140197.db2.gz MYXNYGIGUHZEBS-UHFFFAOYSA-N 2 1 195.310 1.989 10 0 ADAEMP CCC(=[NH2+])NCC[N@H+](C)[C@H](C)CC 300368517 572140387 /nfs/dbraw/zinc/14/03/87/572140387.db2.gz RHQOJKLXWAKNLV-SECBINFHSA-N 2 1 185.315 1.694 10 0 ADAEMP CCC[C@@H]1C[C@@H]1n1c[nH+]cc1CC[NH3+] 300364759 572140508 /nfs/dbraw/zinc/14/05/08/572140508.db2.gz NZGXVUIUQWGOBB-KOLCDFICSA-N 2 1 193.294 1.745 10 0 ADAEMP CCC[N@H+](C)[C@H](C[NH3+])CCSC 37472153 572141487 /nfs/dbraw/zinc/14/14/87/572141487.db2.gz WMWMINLTKAKIGN-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CCC[N@@H+](C)[C@H](C[NH3+])CCSC 37472153 572141491 /nfs/dbraw/zinc/14/14/91/572141491.db2.gz WMWMINLTKAKIGN-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP C[C@@H]1CSCC[N@H+]1CCCC[NH3+] 69760710 572141144 /nfs/dbraw/zinc/14/11/44/572141144.db2.gz FHFGICKIMGTUBL-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C[NH3+] 300373522 572141497 /nfs/dbraw/zinc/14/14/97/572141497.db2.gz AOCILMLAJDMTEI-HLTSFMKQSA-N 2 1 156.273 1.112 10 0 ADAEMP CCC[N@H+](C)[C@@H](C[NH3+])CCSC 37472154 572141371 /nfs/dbraw/zinc/14/13/71/572141371.db2.gz WMWMINLTKAKIGN-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C[NH3+])CCSC 37472154 572141374 /nfs/dbraw/zinc/14/13/74/572141374.db2.gz WMWMINLTKAKIGN-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP C[NH2+]CC[N@H+](C)[C@H](C)CCC(C)C 69801257 572141862 /nfs/dbraw/zinc/14/18/62/572141862.db2.gz YLNZGCVVMFORKX-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]CC[N@@H+](C)[C@H](C)CCC(C)C 69801257 572141863 /nfs/dbraw/zinc/14/18/63/572141863.db2.gz YLNZGCVVMFORKX-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]CC[N@H+](C)[C@@H](C)CCC(C)C 69801259 572142014 /nfs/dbraw/zinc/14/20/14/572142014.db2.gz YLNZGCVVMFORKX-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]CC[N@@H+](C)[C@@H](C)CCC(C)C 69801259 572142017 /nfs/dbraw/zinc/14/20/17/572142017.db2.gz YLNZGCVVMFORKX-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[N@H+](C)[C@H](C[NH3+])CCSC 37472135 572142040 /nfs/dbraw/zinc/14/20/40/572142040.db2.gz HIMCWTHRNUKWQO-QMMMGPOBSA-N 2 1 176.329 1.019 10 0 ADAEMP CC[N@@H+](C)[C@H](C[NH3+])CCSC 37472135 572142043 /nfs/dbraw/zinc/14/20/43/572142043.db2.gz HIMCWTHRNUKWQO-QMMMGPOBSA-N 2 1 176.329 1.019 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 300373549 572142262 /nfs/dbraw/zinc/14/22/62/572142262.db2.gz ASGPLUSAISGNAW-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CSCC[N@H+]1CCCC[NH3+] 69760711 572142579 /nfs/dbraw/zinc/14/25/79/572142579.db2.gz FHFGICKIMGTUBL-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[C@@H](C)CC[NH2+]1 300373161 572142522 /nfs/dbraw/zinc/14/25/22/572142522.db2.gz AHXCBDBAHNSMDM-QCNOEVLYSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[N@H+](C)[C@@H](C[NH3+])CCSC 37472136 572142990 /nfs/dbraw/zinc/14/29/90/572142990.db2.gz HIMCWTHRNUKWQO-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP CC[N@@H+](C)[C@@H](C[NH3+])CCSC 37472136 572142992 /nfs/dbraw/zinc/14/29/92/572142992.db2.gz HIMCWTHRNUKWQO-MRVPVSSYSA-N 2 1 176.329 1.019 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1C[C@@H](C)CC[NH2+]1 300373163 572142981 /nfs/dbraw/zinc/14/29/81/572142981.db2.gz AHXCBDBAHNSMDM-USZNOCQGSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 300373547 572143358 /nfs/dbraw/zinc/14/33/58/572143358.db2.gz ASGPLUSAISGNAW-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 300373551 572143378 /nfs/dbraw/zinc/14/33/78/572143378.db2.gz ASGPLUSAISGNAW-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1C[C@H](C)CC[NH2+]1 300373159 572143730 /nfs/dbraw/zinc/14/37/30/572143730.db2.gz AHXCBDBAHNSMDM-KKOKHZNYSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H](C)[N@H+](CC)C[C@H](C[NH3+])OC 300376572 572144313 /nfs/dbraw/zinc/14/43/13/572144313.db2.gz LPFOBYSJQGBAQT-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C[NH3+] 300373523 572143942 /nfs/dbraw/zinc/14/39/42/572143942.db2.gz AOCILMLAJDMTEI-IWSPIJDZSA-N 2 1 156.273 1.112 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)C[C@H](C[NH3+])OC 300376572 572144315 /nfs/dbraw/zinc/14/43/15/572144315.db2.gz LPFOBYSJQGBAQT-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H](C)[N@H+](C)C[C@H](C[NH3+])OC 300379688 572144325 /nfs/dbraw/zinc/14/43/25/572144325.db2.gz ZEFXWBJCGZCQMO-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])OC 300379688 572144326 /nfs/dbraw/zinc/14/43/26/572144326.db2.gz ZEFXWBJCGZCQMO-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[N@@H+](CC)CCCC[NH2+]C 37477938 572144334 /nfs/dbraw/zinc/14/43/34/572144334.db2.gz KOTGNOPDBVTBQF-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CC[N@@H+](CCCC[NH2+]C)C(C)C 37477934 572144412 /nfs/dbraw/zinc/14/44/12/572144412.db2.gz ZKYVALUQVRDQHR-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@H](C)C[N@H+](C)CC[NH2+]C(C)C 37477298 572144631 /nfs/dbraw/zinc/14/46/31/572144631.db2.gz AXUGDIHFXLIOIQ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CC[NH2+]C(C)C 37477298 572144634 /nfs/dbraw/zinc/14/46/34/572144634.db2.gz AXUGDIHFXLIOIQ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CCCC[C@H]1C 37477870 572144863 /nfs/dbraw/zinc/14/48/63/572144863.db2.gz WSKXCCJRTTXMNE-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[N@@H+](CCCC[NH2+]C)C1CC1 37477940 572144868 /nfs/dbraw/zinc/14/48/68/572144868.db2.gz UUFQFRLCESSJIK-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 300381154 572144917 /nfs/dbraw/zinc/14/49/17/572144917.db2.gz IYYDUVDWOYRXFG-MXWKQRLJSA-N 2 1 182.311 1.517 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CC[C@H](C[NH2+]C)C1 300381613 572144924 /nfs/dbraw/zinc/14/49/24/572144924.db2.gz JQPWZXRXESSNPS-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[NH2+]CC[N@H+](C)[C@@H](C)C1CC1 37477318 572145134 /nfs/dbraw/zinc/14/51/34/572145134.db2.gz WZUGPCVTJJSFGF-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+](C)[C@@H](C)C1CC1 37477318 572145135 /nfs/dbraw/zinc/14/51/35/572145135.db2.gz WZUGPCVTJJSFGF-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCCC[NH2+]1 300381171 572145204 /nfs/dbraw/zinc/14/52/04/572145204.db2.gz JAHZBAJTLASZKS-UTUOFQBUSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCCC[NH2+]1 300381170 572145430 /nfs/dbraw/zinc/14/54/30/572145430.db2.gz JAHZBAJTLASZKS-IJLUTSLNSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC[C@H](C)[N@H+](C)C[C@H](C[NH3+])OC 300379687 572145517 /nfs/dbraw/zinc/14/55/17/572145517.db2.gz ZEFXWBJCGZCQMO-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@H](C[NH3+])OC 300379687 572145520 /nfs/dbraw/zinc/14/55/20/572145520.db2.gz ZEFXWBJCGZCQMO-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 37477879 572145535 /nfs/dbraw/zinc/14/55/35/572145535.db2.gz CXUVREKOVZOFPT-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@@H](C)[N@H+](CC)C[C@H](C[NH3+])OC 300376573 572145638 /nfs/dbraw/zinc/14/56/38/572145638.db2.gz LPFOBYSJQGBAQT-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)C[C@H](C[NH3+])OC 300376573 572145641 /nfs/dbraw/zinc/14/56/41/572145641.db2.gz LPFOBYSJQGBAQT-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 300381156 572145649 /nfs/dbraw/zinc/14/56/49/572145649.db2.gz IYYDUVDWOYRXFG-OUAUKWLOSA-N 2 1 182.311 1.517 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)CC(C)C 37477942 572145774 /nfs/dbraw/zinc/14/57/74/572145774.db2.gz VGFJZHOEXVTYIJ-UHFFFAOYSA-N 2 1 172.316 1.574 10 0 ADAEMP C[NH2+]CCCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 37477902 572145784 /nfs/dbraw/zinc/14/57/84/572145784.db2.gz RDSDXAYMJILANL-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C 37477871 572145906 /nfs/dbraw/zinc/14/59/06/572145906.db2.gz WSKXCCJRTTXMNE-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 37477877 572146024 /nfs/dbraw/zinc/14/60/24/572146024.db2.gz CXUVREKOVZOFPT-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[N@@H+](CCCC[NH2+]C)C1CC1 37477932 572146061 /nfs/dbraw/zinc/14/60/61/572146061.db2.gz IBZAFPSFFPLFPE-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCCC[NH2+]C 37477943 572146231 /nfs/dbraw/zinc/14/62/31/572146231.db2.gz GKSYEMGJCXRDGG-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 300381172 572146310 /nfs/dbraw/zinc/14/63/10/572146310.db2.gz JAHZBAJTLASZKS-WOPDTQHZSA-N 2 1 196.338 1.907 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C1CC1 37477933 572146383 /nfs/dbraw/zinc/14/63/83/572146383.db2.gz BSFZGNZUPNQCOU-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP CCCC[N@@H+](C)CCCC[NH2+]C 37477890 572146396 /nfs/dbraw/zinc/14/63/96/572146396.db2.gz OIKGKXZXQHJEAI-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CCC[C@@H]1C[C@H]1[N@H+]1CC[C@H](C[NH2+]C)C1 300381612 572146437 /nfs/dbraw/zinc/14/64/37/572146437.db2.gz JQPWZXRXESSNPS-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C(C)C 37477898 572146453 /nfs/dbraw/zinc/14/64/53/572146453.db2.gz YHQFVIBIYUGGDS-UHFFFAOYSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[C@H](C)C[N@H+](C)CC[NH2+]C(C)C 37477299 572146456 /nfs/dbraw/zinc/14/64/56/572146456.db2.gz AXUGDIHFXLIOIQ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CC[NH2+]C(C)C 37477299 572146458 /nfs/dbraw/zinc/14/64/58/572146458.db2.gz AXUGDIHFXLIOIQ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)CCCC[NH2+]C 37477941 572146544 /nfs/dbraw/zinc/14/65/44/572146544.db2.gz OEDAWDXZMOROKH-UHFFFAOYSA-N 2 1 158.289 1.328 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1ccco1 37476761 572147150 /nfs/dbraw/zinc/14/71/50/572147150.db2.gz PUJUGIRYPBBXEO-VIFPVBQESA-N 2 1 182.267 1.449 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 300381158 572146556 /nfs/dbraw/zinc/14/65/56/572146556.db2.gz IYYDUVDWOYRXFG-VWYCJHECSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1ccco1 37476761 572147151 /nfs/dbraw/zinc/14/71/51/572147151.db2.gz PUJUGIRYPBBXEO-VIFPVBQESA-N 2 1 182.267 1.449 10 0 ADAEMP CC(C)[NH2+]CC[N@H+](C)[C@H](C)C1CC1 37477319 572146639 /nfs/dbraw/zinc/14/66/39/572146639.db2.gz WZUGPCVTJJSFGF-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+](C)[C@H](C)C1CC1 37477319 572146641 /nfs/dbraw/zinc/14/66/41/572146641.db2.gz WZUGPCVTJJSFGF-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)C1CCCC1 37477937 572146876 /nfs/dbraw/zinc/14/68/76/572146876.db2.gz YEJVPDYHUXWZAA-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCCC[NH2+]C 37477944 572146880 /nfs/dbraw/zinc/14/68/80/572146880.db2.gz GKSYEMGJCXRDGG-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)C[N@H+](C)CC[NH2+]C(C)C 37477291 572146938 /nfs/dbraw/zinc/14/69/38/572146938.db2.gz KRPHTAMOKGTSHX-UHFFFAOYSA-N 2 1 172.316 1.572 10 0 ADAEMP CC(C)C[N@@H+](C)CC[NH2+]C(C)C 37477291 572146942 /nfs/dbraw/zinc/14/69/42/572146942.db2.gz KRPHTAMOKGTSHX-UHFFFAOYSA-N 2 1 172.316 1.572 10 0 ADAEMP CS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] 300383037 572148535 /nfs/dbraw/zinc/14/85/35/572148535.db2.gz HDKAVKITHPSVFL-IWSPIJDZSA-N 2 1 188.340 1.207 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)[C@H](C)C(C)C 37477970 572147398 /nfs/dbraw/zinc/14/73/98/572147398.db2.gz BJXFRGBBHPYAMM-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP Cc1ccc(C[N@@H+](C)CC[C@H](C)[NH3+])o1 37476759 572147512 /nfs/dbraw/zinc/14/75/12/572147512.db2.gz HJWVUWNWETWJKZ-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1ccc(C[N@H+](C)CC[C@H](C)[NH3+])o1 37476759 572147516 /nfs/dbraw/zinc/14/75/16/572147516.db2.gz HJWVUWNWETWJKZ-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)[C@@H](C)C(C)C 37477971 572147663 /nfs/dbraw/zinc/14/76/63/572147663.db2.gz BJXFRGBBHPYAMM-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CCCC[NH2+]C 37477949 572147779 /nfs/dbraw/zinc/14/77/79/572147779.db2.gz NTYGXRSHJQGHJF-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP Cc1ccc(C[N@@H+](C)CC[C@@H](C)[NH3+])o1 37476758 572147868 /nfs/dbraw/zinc/14/78/68/572147868.db2.gz HJWVUWNWETWJKZ-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1ccc(C[N@H+](C)CC[C@@H](C)[NH3+])o1 37476758 572147869 /nfs/dbraw/zinc/14/78/69/572147869.db2.gz HJWVUWNWETWJKZ-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1cccs1 37476764 572147949 /nfs/dbraw/zinc/14/79/49/572147949.db2.gz LDUWNDJTWRWBLJ-VIFPVBQESA-N 2 1 198.335 1.917 10 0 ADAEMP CS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] 300383036 572149227 /nfs/dbraw/zinc/14/92/27/572149227.db2.gz HDKAVKITHPSVFL-HRDYMLBCSA-N 2 1 188.340 1.207 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)Cc1ccoc1 69840797 572148095 /nfs/dbraw/zinc/14/80/95/572148095.db2.gz QBLYNVSYFLKGOV-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)Cc1ccco1 69840665 572148156 /nfs/dbraw/zinc/14/81/56/572148156.db2.gz MFDAMZPBRDEPPU-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)Cc1ccco1 69840664 572148231 /nfs/dbraw/zinc/14/82/31/572148231.db2.gz MFDAMZPBRDEPPU-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[C@H](C)[C@@H]([NH2+]C)c1c[nH+]ccc1N 69845739 572149252 /nfs/dbraw/zinc/14/92/52/572149252.db2.gz OUXCUJJODBWVGE-GZMMTYOYSA-N 2 1 193.294 1.970 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1cccs1 37476765 572148301 /nfs/dbraw/zinc/14/83/01/572148301.db2.gz LDUWNDJTWRWBLJ-SECBINFHSA-N 2 1 198.335 1.917 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]CC 300383782 572149263 /nfs/dbraw/zinc/14/92/63/572149263.db2.gz LWLJQRYXSAIEDW-ZJUUUORDSA-N 2 1 170.300 1.374 10 0 ADAEMP C[C@@H]([NH3+])CCc1[nH]cc(C(C)(C)C)[nH+]1 69841075 572148587 /nfs/dbraw/zinc/14/85/87/572148587.db2.gz DXZFLHHJYVLCQM-MRVPVSSYSA-N 2 1 195.310 1.987 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)[C@@H](C)C1CC1 37477968 572148607 /nfs/dbraw/zinc/14/86/07/572148607.db2.gz CJHMODLDBUJYIZ-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]([NH3+])CCc1[nH]cc(C(C)(C)C)[nH+]1 69841073 572148623 /nfs/dbraw/zinc/14/86/23/572148623.db2.gz DXZFLHHJYVLCQM-QMMMGPOBSA-N 2 1 195.310 1.987 10 0 ADAEMP CC[NH2+][C@H](c1c[nH+]ccc1N)C1CC1 69845327 572148698 /nfs/dbraw/zinc/14/86/98/572148698.db2.gz UUHYMNDWXCEWBW-NSHDSACASA-N 2 1 191.278 1.724 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1ccsc1 37476767 572148759 /nfs/dbraw/zinc/14/87/59/572148759.db2.gz KRZKLBCYYUUUFQ-VIFPVBQESA-N 2 1 198.335 1.917 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1ccsc1 37476767 572148761 /nfs/dbraw/zinc/14/87/61/572148761.db2.gz KRZKLBCYYUUUFQ-VIFPVBQESA-N 2 1 198.335 1.917 10 0 ADAEMP CC[NH2+][C@@H](CC)c1c[nH+]ccc1N 69845244 572148767 /nfs/dbraw/zinc/14/87/67/572148767.db2.gz UJYPSOZFHIEQPH-JTQLQIEISA-N 2 1 179.267 1.724 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)[C@H](C)C1CC1 37477969 572148769 /nfs/dbraw/zinc/14/87/69/572148769.db2.gz CJHMODLDBUJYIZ-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C(C)C 300384528 572148985 /nfs/dbraw/zinc/14/89/85/572148985.db2.gz MNFFWFQUSFPMNS-MNOVXSKESA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)Cc1ccco1 37476762 572149188 /nfs/dbraw/zinc/14/91/88/572149188.db2.gz PUJUGIRYPBBXEO-SECBINFHSA-N 2 1 182.267 1.449 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1ccco1 37476762 572149190 /nfs/dbraw/zinc/14/91/90/572149190.db2.gz PUJUGIRYPBBXEO-SECBINFHSA-N 2 1 182.267 1.449 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CCCC[NH2+]C 37477950 572149099 /nfs/dbraw/zinc/14/90/99/572149099.db2.gz NTYGXRSHJQGHJF-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH2+][C@@H]1C[C@H]1CC 300385098 572149335 /nfs/dbraw/zinc/14/93/35/572149335.db2.gz NCGWNUOAMKGVEM-HBNTYKKESA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCSC1 37476753 572149346 /nfs/dbraw/zinc/14/93/46/572149346.db2.gz FMWRVFXMYMMSQT-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH2+][C@H]1C[C@H]1CC 300385097 572149454 /nfs/dbraw/zinc/14/94/54/572149454.db2.gz NCGWNUOAMKGVEM-AXFHLTTASA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)Cc1ccco1 37477955 572149492 /nfs/dbraw/zinc/14/94/92/572149492.db2.gz LHOZGFZJIGSELJ-UHFFFAOYSA-N 2 1 196.294 1.711 10 0 ADAEMP CC[C@@H](C)[C@H]([NH2+]C)c1c[nH+]ccc1N 69845728 572149525 /nfs/dbraw/zinc/14/95/25/572149525.db2.gz OUXCUJJODBWVGE-KCJUWKMLSA-N 2 1 193.294 1.970 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)Cc1ccsc1 37476768 572149617 /nfs/dbraw/zinc/14/96/17/572149617.db2.gz KRZKLBCYYUUUFQ-SECBINFHSA-N 2 1 198.335 1.917 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1ccsc1 37476768 572149622 /nfs/dbraw/zinc/14/96/22/572149622.db2.gz KRZKLBCYYUUUFQ-SECBINFHSA-N 2 1 198.335 1.917 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH2+]C)c1c[nH+]ccc1N 69845733 572149685 /nfs/dbraw/zinc/14/96/85/572149685.db2.gz OUXCUJJODBWVGE-LDYMZIIASA-N 2 1 193.294 1.970 10 0 ADAEMP CC[NH2+][C@@H](c1c[nH+]ccc1N)C1CC1 69845325 572149709 /nfs/dbraw/zinc/14/97/09/572149709.db2.gz UUHYMNDWXCEWBW-LLVKDONJSA-N 2 1 191.278 1.724 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)Cc1ccoc1 69840799 572149724 /nfs/dbraw/zinc/14/97/24/572149724.db2.gz QBLYNVSYFLKGOV-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[NH2+][C@H](CC)c1c[nH+]ccc1N 69845246 572149902 /nfs/dbraw/zinc/14/99/02/572149902.db2.gz UJYPSOZFHIEQPH-SNVBAGLBSA-N 2 1 179.267 1.724 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC[NH2+]C1CC1 37478569 572150044 /nfs/dbraw/zinc/15/00/44/572150044.db2.gz CDZGALAHHUAULW-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CCC[NH2+]C(C)C)C1CC1 37480287 572150073 /nfs/dbraw/zinc/15/00/73/572150073.db2.gz PTNPJRLXSGLJFG-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[N@H+](C)CC(C)C 37479947 572150093 /nfs/dbraw/zinc/15/00/93/572150093.db2.gz DPPMKUBMDWFQOV-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[N@@H+](C)CC(C)C 37479947 572150095 /nfs/dbraw/zinc/15/00/95/572150095.db2.gz DPPMKUBMDWFQOV-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](c1c[nH+]ccc1N)C(C)C 69845224 572150321 /nfs/dbraw/zinc/15/03/21/572150321.db2.gz QQDIRQSIIOUSQV-NSHDSACASA-N 2 1 193.294 1.970 10 0 ADAEMP CC[NH2+][C@@H](c1c[nH+]ccc1N)C(C)C 69845222 572150328 /nfs/dbraw/zinc/15/03/28/572150328.db2.gz QQDIRQSIIOUSQV-LLVKDONJSA-N 2 1 193.294 1.970 10 0 ADAEMP CCCC[N@@H+](C)CC1([NH3+])CCCC1 37479575 572150371 /nfs/dbraw/zinc/15/03/71/572150371.db2.gz NYOZQZHLYXQXAW-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CC[N@@H+](CCC[NH2+]C1CC1)C(C)C 37478550 572150467 /nfs/dbraw/zinc/15/04/67/572150467.db2.gz QIXJQOWCGSOQIE-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C1CCCC1 300388242 572150530 /nfs/dbraw/zinc/15/05/30/572150530.db2.gz QNNKERJYUAENJN-PWSUYJOCSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC[C@@H]1C[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 300387292 572150538 /nfs/dbraw/zinc/15/05/38/572150538.db2.gz PIUZQWIVRASIEM-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]1CCCC[NH2+]C1 401744782 572150662 /nfs/dbraw/zinc/15/06/62/572150662.db2.gz UHLAUXZGXWMNBZ-SNVBAGLBSA-N 2 1 193.294 1.352 10 0 ADAEMP CC(C)[C@H](C)[N@H+](C)CC[NH2+]CC1CC1 37478625 572150833 /nfs/dbraw/zinc/15/08/33/572150833.db2.gz QGTQYWUVZATNKH-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)CC[NH2+]CC1CC1 37478625 572150837 /nfs/dbraw/zinc/15/08/37/572150837.db2.gz QGTQYWUVZATNKH-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CS[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C1 300388031 572150977 /nfs/dbraw/zinc/15/09/77/572150977.db2.gz NMLJPFDLJDAROO-IWSPIJDZSA-N 2 1 188.340 1.207 10 0 ADAEMP CC(C)C[N@@H+](C)CCC[NH2+]C1CC1 37478566 572150984 /nfs/dbraw/zinc/15/09/84/572150984.db2.gz HXUCIEWKWRMDLM-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP Cn1c[nH+]cc1C[C@@H]1CCCC[NH2+]C1 401744780 572151001 /nfs/dbraw/zinc/15/10/01/572151001.db2.gz UHLAUXZGXWMNBZ-JTQLQIEISA-N 2 1 193.294 1.352 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C[C@H]2CC2(C)C)C1 300385780 572151037 /nfs/dbraw/zinc/15/10/37/572151037.db2.gz NWMNGXDLHWKJMU-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300385780 572151041 /nfs/dbraw/zinc/15/10/41/572151041.db2.gz NWMNGXDLHWKJMU-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCC[NH2+]C1CC1 37478618 572151106 /nfs/dbraw/zinc/15/11/06/572151106.db2.gz YMRRQQDCDRCICC-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCC[NH2+]C1CC1 37478619 572151143 /nfs/dbraw/zinc/15/11/43/572151143.db2.gz YMRRQQDCDRCICC-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CCC[N@@H+](C)C1CC1 37480288 572151306 /nfs/dbraw/zinc/15/13/06/572151306.db2.gz UBQQKRLHUBDFQZ-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)[C@@H](C)[N@H+](C)CC[NH2+]CC1CC1 37478624 572151415 /nfs/dbraw/zinc/15/14/15/572151415.db2.gz QGTQYWUVZATNKH-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)CC[NH2+]CC1CC1 37478624 572151419 /nfs/dbraw/zinc/15/14/19/572151419.db2.gz QGTQYWUVZATNKH-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)CCC[NH2+]C1CC1 37478499 572151606 /nfs/dbraw/zinc/15/16/06/572151606.db2.gz CYFZGILEECNYBQ-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@H](C1CC1)[N@H+](C)CC[NH2+]CC1CC1 37478621 572151720 /nfs/dbraw/zinc/15/17/20/572151720.db2.gz LEBQOWBHOQABCN-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CC[NH2+]CC1CC1 37478621 572151726 /nfs/dbraw/zinc/15/17/26/572151726.db2.gz LEBQOWBHOQABCN-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+](CC[NH2+]CC1CC1)CC(C)C 37478573 572151811 /nfs/dbraw/zinc/15/18/11/572151811.db2.gz JPXPHQUUYFKJON-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CC[NH2+]CC1CC1)CC(C)C 37478573 572151814 /nfs/dbraw/zinc/15/18/14/572151814.db2.gz JPXPHQUUYFKJON-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[N@H+](C)CC[NH2+]CC1CC1 37478567 572151908 /nfs/dbraw/zinc/15/19/08/572151908.db2.gz CXLVGHBXDSUNCH-UHFFFAOYSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)C[N@@H+](C)CC[NH2+]CC1CC1 37478567 572151909 /nfs/dbraw/zinc/15/19/09/572151909.db2.gz CXLVGHBXDSUNCH-UHFFFAOYSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[C@@H](C)C[N@H+](C)CC[NH2+]CC1CC1 37478582 572151916 /nfs/dbraw/zinc/15/19/16/572151916.db2.gz UPNLUONUNUYSMQ-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)CC[NH2+]CC1CC1 37478582 572151919 /nfs/dbraw/zinc/15/19/19/572151919.db2.gz UPNLUONUNUYSMQ-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@H]2CC)C1 300387159 572151943 /nfs/dbraw/zinc/15/19/43/572151943.db2.gz PCMKNFOWULXNHB-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1cnc(C[NH2+]CC[C@@H](C)[NH3+])s1 235154854 572152038 /nfs/dbraw/zinc/15/20/38/572152038.db2.gz POJLYNUWPJADPR-SSDOTTSWSA-N 2 1 199.323 1.278 10 0 ADAEMP CCC[N@@H+](C)CCC[NH2+]C(C)C 37480296 572152058 /nfs/dbraw/zinc/15/20/58/572152058.db2.gz ORFSUWAJSASVSX-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCC[NH2+]C1CC1 37478568 572152222 /nfs/dbraw/zinc/15/22/22/572152222.db2.gz CDZGALAHHUAULW-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]CCCc1[nH]cc(C(C)C)[nH+]1 37478006 572152236 /nfs/dbraw/zinc/15/22/36/572152236.db2.gz XGIBUJQKICNRJC-UHFFFAOYSA-N 2 1 181.283 1.685 10 0 ADAEMP CC[C@H](C)[NH2+]CC[N@H+](C)CC(C)C 37479948 572152291 /nfs/dbraw/zinc/15/22/91/572152291.db2.gz DPPMKUBMDWFQOV-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C)[NH2+]CC[N@@H+](C)CC(C)C 37479948 572152295 /nfs/dbraw/zinc/15/22/95/572152295.db2.gz DPPMKUBMDWFQOV-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CS[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C1 300388030 572152309 /nfs/dbraw/zinc/15/23/09/572152309.db2.gz NMLJPFDLJDAROO-HRDYMLBCSA-N 2 1 188.340 1.207 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CC2(C)C)C1 300385778 572152556 /nfs/dbraw/zinc/15/25/56/572152556.db2.gz NWMNGXDLHWKJMU-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300385778 572152560 /nfs/dbraw/zinc/15/25/60/572152560.db2.gz NWMNGXDLHWKJMU-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C)CCC[NH2+]C(C)C 37480286 572152645 /nfs/dbraw/zinc/15/26/45/572152645.db2.gz TWRBMEKNWMDREH-UHFFFAOYSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H]2C[C@H]2CC)C1 300387156 572152670 /nfs/dbraw/zinc/15/26/70/572152670.db2.gz PCMKNFOWULXNHB-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)C[N@H+](C)CC[NH2+]CC1CC1 37478583 572152861 /nfs/dbraw/zinc/15/28/61/572152861.db2.gz UPNLUONUNUYSMQ-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)CC[NH2+]CC1CC1 37478583 572152864 /nfs/dbraw/zinc/15/28/64/572152864.db2.gz UPNLUONUNUYSMQ-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[N@H+]([C@H]2C[C@@H]2CC)C1 300387158 572152891 /nfs/dbraw/zinc/15/28/91/572152891.db2.gz PCMKNFOWULXNHB-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)CC[NH2+]CC1CC1 37478620 572152910 /nfs/dbraw/zinc/15/29/10/572152910.db2.gz LEBQOWBHOQABCN-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC[NH2+]CC1CC1 37478620 572152915 /nfs/dbraw/zinc/15/29/15/572152915.db2.gz LEBQOWBHOQABCN-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](CCC[NH2+]C1CC1)C1CC1 37478546 572152938 /nfs/dbraw/zinc/15/29/38/572152938.db2.gz ZGAQRZSZBDYACC-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@@H+](C)CC1([NH3+])CCCC1 37479606 572152953 /nfs/dbraw/zinc/15/29/53/572152953.db2.gz DPWUDURKBIVRQV-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@H+](C)C1CC1 37480924 572154165 /nfs/dbraw/zinc/15/41/65/572154165.db2.gz WZGWEBMMGVUJLX-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@@H+](C)C1CC1 37480924 572154168 /nfs/dbraw/zinc/15/41/68/572154168.db2.gz WZGWEBMMGVUJLX-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)C[C@@H](C)C[C@@H]([NH3+])C[NH+](C)C 300958360 572153520 /nfs/dbraw/zinc/15/35/20/572153520.db2.gz QQBMINDAQMCXOV-GHMZBOCLSA-N 2 1 186.343 1.948 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@@H+](CC)C1CC1 37480921 572153566 /nfs/dbraw/zinc/15/35/66/572153566.db2.gz ZGKIVDZBHPSKGP-NSHDSACASA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[N@@H+](C)C[C@](C)([NH3+])CCC 37480954 572153731 /nfs/dbraw/zinc/15/37/31/572153731.db2.gz JQGJOPHEERQVMA-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]CC[NH2+]C(C)(C)C 300389248 572153766 /nfs/dbraw/zinc/15/37/66/572153766.db2.gz RTZKYOCXTQYLLU-ZJUUUORDSA-N 2 1 184.327 1.763 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300388967 572153774 /nfs/dbraw/zinc/15/37/74/572153774.db2.gz RMDMPGOMUIXKQZ-IJLUTSLNSA-N 2 1 196.338 1.907 10 0 ADAEMP COC[C@@H](C)[N@@H+](CCC[NH3+])C(C)C 69901810 572153852 /nfs/dbraw/zinc/15/38/52/572153852.db2.gz PEDCBOMJWAJRNC-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CCCC[C@H]([NH3+])C[NH+]1CCCCC1 37480871 572153871 /nfs/dbraw/zinc/15/38/71/572153871.db2.gz BUQIRWLZQZKPTN-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CCC[N@@H+](C)C[C@@](C)([NH3+])CCC 37480953 572153953 /nfs/dbraw/zinc/15/39/53/572153953.db2.gz JQGJOPHEERQVMA-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[N@H+](C[C@@](C)([NH3+])C1CC1)C1CC1 37479202 572153973 /nfs/dbraw/zinc/15/39/73/572153973.db2.gz HZXOIGYNZAJUCU-SNVBAGLBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C[C@@](C)([NH3+])C1CC1)C1CC1 37479202 572153975 /nfs/dbraw/zinc/15/39/75/572153975.db2.gz HZXOIGYNZAJUCU-SNVBAGLBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)C[C@@H](C)C[C@H]([NH3+])C[NH+](C)C 300958361 572154068 /nfs/dbraw/zinc/15/40/68/572154068.db2.gz QQBMINDAQMCXOV-MNOVXSKESA-N 2 1 186.343 1.948 10 0 ADAEMP CCC[N@@H+](C[C@](C)([NH3+])C1CC1)C1CC1 37479214 572154073 /nfs/dbraw/zinc/15/40/73/572154073.db2.gz JRLDMLIXKKWBSW-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@H+](C)C1CC1 37480926 572154100 /nfs/dbraw/zinc/15/41/00/572154100.db2.gz FZBMRFPQADBOEE-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@@H+](C)C1CC1 37480926 572154103 /nfs/dbraw/zinc/15/41/03/572154103.db2.gz FZBMRFPQADBOEE-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CC[C@H](C[NH2+]C)C1 300387988 572154292 /nfs/dbraw/zinc/15/42/92/572154292.db2.gz QHKDPKKFYWENIT-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@H+](CC)C1CC1 37480920 572155219 /nfs/dbraw/zinc/15/52/19/572155219.db2.gz AYIDVVYWAVFFJW-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@H](C)[C@@H]1C 82860067 572154464 /nfs/dbraw/zinc/15/44/64/572154464.db2.gz IZYCGWNFNAXHHG-GARJFASQSA-N 2 1 184.327 1.750 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@H+](C)C1CC1 37480923 572154490 /nfs/dbraw/zinc/15/44/90/572154490.db2.gz WZGWEBMMGVUJLX-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@@H+](C)C1CC1 37480923 572154494 /nfs/dbraw/zinc/15/44/94/572154494.db2.gz WZGWEBMMGVUJLX-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])[C@H](C)COC 69901796 572154622 /nfs/dbraw/zinc/15/46/22/572154622.db2.gz QYOWEXHERRGANT-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[N@@H+](C)CC1CCC([NH3+])CC1 37482439 572154651 /nfs/dbraw/zinc/15/46/51/572154651.db2.gz CQSSZOMLCHHNTM-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C[C@](C)([NH3+])C1CC1)C1CC1 37479200 572154670 /nfs/dbraw/zinc/15/46/70/572154670.db2.gz AGKIQBQJQQQQLG-NSHDSACASA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300388968 572154718 /nfs/dbraw/zinc/15/47/18/572154718.db2.gz RMDMPGOMUIXKQZ-UTUOFQBUSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CC[C@H](C)C[C@@H]1C 82860063 572154754 /nfs/dbraw/zinc/15/47/54/572154754.db2.gz JCMQALLHLQSCQV-GARJFASQSA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 82860046 572154795 /nfs/dbraw/zinc/15/47/95/572154795.db2.gz AUNYRZCFOJENTN-KXUCPTDWSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)(C)[C@H]([NH3+])C[NH2+]C[C@H]1CC1(C)C 300389296 572154822 /nfs/dbraw/zinc/15/48/22/572154822.db2.gz RYRRBJSLVUBLJP-NXEZZACHSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@H]1CCC[C@](C[NH3+])([NH2+]C2CC2)[C@@H]1C 82860105 572154846 /nfs/dbraw/zinc/15/48/46/572154846.db2.gz MVKMGIHWANYETR-HOSYDEDBSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@H]1CC[C@H](C)[C@H]([NH2+]CC[NH3+])C1 82858741 572154878 /nfs/dbraw/zinc/15/48/78/572154878.db2.gz UOQROLJEOPJZBP-LPEHRKFASA-N 2 1 170.300 1.359 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@@H+](C)C(C)C 37480846 572154940 /nfs/dbraw/zinc/15/49/40/572154940.db2.gz RPCQXEIEJZEJDO-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP C[N@@H+](C[C@](C)([NH3+])C1CC1)C1CC1 37479203 572155409 /nfs/dbraw/zinc/15/54/09/572155409.db2.gz HZXOIGYNZAJUCU-JTQLQIEISA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479216 572154975 /nfs/dbraw/zinc/15/49/75/572154975.db2.gz VXPDDDSPHQLQFB-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1[NH2+]CC[C@H]1C 300389555 572155025 /nfs/dbraw/zinc/15/50/25/572155025.db2.gz SDGKFAYTGKWQJD-CHWFTXMASA-N 2 1 182.311 1.373 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 300388969 572155035 /nfs/dbraw/zinc/15/50/35/572155035.db2.gz RMDMPGOMUIXKQZ-WOPDTQHZSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 300388906 572155193 /nfs/dbraw/zinc/15/51/93/572155193.db2.gz REARLXKIZVVIKZ-GMTAPVOTSA-N 2 1 182.311 1.517 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@@H+](CC)C1CC1 37480920 572155222 /nfs/dbraw/zinc/15/52/22/572155222.db2.gz AYIDVVYWAVFFJW-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](C)CCCC[NH2+]C(C)C 37482928 572155309 /nfs/dbraw/zinc/15/53/09/572155309.db2.gz FGOIXPMZYYMXLQ-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@@H+](C)C(C)C 37480844 572155540 /nfs/dbraw/zinc/15/55/40/572155540.db2.gz IFUNIYCYAKZXNL-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP CC(C)C[C@H](C)C[C@H]([NH3+])C[NH+](C)C 300958362 572155351 /nfs/dbraw/zinc/15/53/51/572155351.db2.gz QQBMINDAQMCXOV-QWRGUYRKSA-N 2 1 186.343 1.948 10 0 ADAEMP C[N@H+](C[C@](C)([NH3+])C1CC1)C1CC1 37479203 572155407 /nfs/dbraw/zinc/15/54/07/572155407.db2.gz HZXOIGYNZAJUCU-JTQLQIEISA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@](C)([NH3+])C1CC1 37479165 572155424 /nfs/dbraw/zinc/15/54/24/572155424.db2.gz ZCJJHFGHRGGKCY-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@H+](C)CC 37480916 572155498 /nfs/dbraw/zinc/15/54/98/572155498.db2.gz AKPBEUGEMZVAQS-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@@H+](C)CC 37480916 572155501 /nfs/dbraw/zinc/15/55/01/572155501.db2.gz AKPBEUGEMZVAQS-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C 82860047 572155518 /nfs/dbraw/zinc/15/55/18/572155518.db2.gz AUNYRZCFOJENTN-LPEHRKFASA-N 2 1 170.300 1.359 10 0 ADAEMP CC[N@@H+](C[C@@](C)([NH3+])C1CC1)C1CC1 37479201 572155558 /nfs/dbraw/zinc/15/55/58/572155558.db2.gz AGKIQBQJQQQQLG-LLVKDONJSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])[C@@H](C)COC 69901795 572155674 /nfs/dbraw/zinc/15/56/74/572155674.db2.gz QYOWEXHERRGANT-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCC[N@@H+](C)C[C@@](C)([NH3+])C1CC1 37479159 572155843 /nfs/dbraw/zinc/15/58/43/572155843.db2.gz DKXFRVLSRLAGHH-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@@H+](C)CCC 37480952 572155931 /nfs/dbraw/zinc/15/59/31/572155931.db2.gz PPHGHVNTONFRTE-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC(C)C[C@H](C)C[C@@H]([NH3+])C[NH+](C)C 300958363 572155980 /nfs/dbraw/zinc/15/59/80/572155980.db2.gz QQBMINDAQMCXOV-WDEREUQCSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)[C@@H]1C 82860069 572155994 /nfs/dbraw/zinc/15/59/94/572155994.db2.gz IZYCGWNFNAXHHG-OUAUKWLOSA-N 2 1 184.327 1.750 10 0 ADAEMP CCCC[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479157 572156309 /nfs/dbraw/zinc/15/63/09/572156309.db2.gz DKXFRVLSRLAGHH-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[C@H]([NH2+]CC[NH3+])[C@@H]1C 82858733 572156338 /nfs/dbraw/zinc/15/63/38/572156338.db2.gz PEMHJYKYFXFDKF-AEJSXWLSSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)(C)[C@H]([NH3+])C[NH2+]C[C@@H]1CC1(C)C 300389297 572156374 /nfs/dbraw/zinc/15/63/74/572156374.db2.gz RYRRBJSLVUBLJP-VHSXEESVSA-N 2 1 198.354 1.996 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C 82860061 572156388 /nfs/dbraw/zinc/15/63/88/572156388.db2.gz VLUHGNJOZPIDRF-GARJFASQSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)[C@@H]1C 82860103 572156401 /nfs/dbraw/zinc/15/64/01/572156401.db2.gz MVKMGIHWANYETR-UMNHJUIQSA-N 2 1 196.338 1.892 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@@H+](C)C(C)C 37480845 572156448 /nfs/dbraw/zinc/15/64/48/572156448.db2.gz RPCQXEIEJZEJDO-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CCCC[N@H+](CC[NH3+])[C@@H](C)COC 69906418 572156530 /nfs/dbraw/zinc/15/65/30/572156530.db2.gz BNHPBHFBDRDLNY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCC[N@@H+](CC[NH3+])[C@@H](C)COC 69906418 572156534 /nfs/dbraw/zinc/15/65/34/572156534.db2.gz BNHPBHFBDRDLNY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@H+](CC)C1CC1 37480919 572156545 /nfs/dbraw/zinc/15/65/45/572156545.db2.gz AYIDVVYWAVFFJW-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@@H+](CC)C1CC1 37480919 572156548 /nfs/dbraw/zinc/15/65/48/572156548.db2.gz AYIDVVYWAVFFJW-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 82860059 572156575 /nfs/dbraw/zinc/15/65/75/572156575.db2.gz VLUHGNJOZPIDRF-OUAUKWLOSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1CC[C@@H](C)[C@H]([NH2+]CC[NH3+])C1 82858743 572156633 /nfs/dbraw/zinc/15/66/33/572156633.db2.gz UOQROLJEOPJZBP-IVZWLZJFSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCC[C@H]([NH3+])C[NH+]1CCCC1 37480775 572156942 /nfs/dbraw/zinc/15/69/42/572156942.db2.gz VANBWVXUGASTOG-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 300388907 572157014 /nfs/dbraw/zinc/15/70/14/572157014.db2.gz REARLXKIZVVIKZ-MXWKQRLJSA-N 2 1 182.311 1.517 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@@H+](CC)C1CC1 37480922 572157110 /nfs/dbraw/zinc/15/71/10/572157110.db2.gz ZGKIVDZBHPSKGP-LLVKDONJSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@@H+](C)CC 37480918 572157282 /nfs/dbraw/zinc/15/72/82/572157282.db2.gz ZSGRWGGANMLLHT-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@@H+](C)C(C)C 37480843 572157325 /nfs/dbraw/zinc/15/73/25/572157325.db2.gz IFUNIYCYAKZXNL-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CCCCC[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484758 572157642 /nfs/dbraw/zinc/15/76/42/572157642.db2.gz ULDFNDAWEBQVQL-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37484779 572157743 /nfs/dbraw/zinc/15/77/43/572157743.db2.gz WKXFQLZANXHIEP-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484761 572157801 /nfs/dbraw/zinc/15/78/01/572157801.db2.gz KHERWNADTWOMFG-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484686 572157964 /nfs/dbraw/zinc/15/79/64/572157964.db2.gz ZMOYXOOSSLGVAU-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484776 572157996 /nfs/dbraw/zinc/15/79/96/572157996.db2.gz WKXFQLZANXHIEP-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)[NH2+]C 300391838 572158007 /nfs/dbraw/zinc/15/80/07/572158007.db2.gz VXOYCEIYEXSSDD-BBBLOLIVSA-N 2 1 170.300 1.373 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484777 572158132 /nfs/dbraw/zinc/15/81/32/572158132.db2.gz WKXFQLZANXHIEP-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C(C)C 37484848 572158208 /nfs/dbraw/zinc/15/82/08/572158208.db2.gz KGHLIWYHXYSGGI-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C(C)C 37484851 572158332 /nfs/dbraw/zinc/15/83/32/572158332.db2.gz KGHLIWYHXYSGGI-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484685 572158403 /nfs/dbraw/zinc/15/84/03/572158403.db2.gz AUPZRFDKKOFRET-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP CCCC[NH2+]C[C@H]1CC[N@@H+](C)C1 37484725 572158630 /nfs/dbraw/zinc/15/86/30/572158630.db2.gz DNRZWTRCAWZHNO-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CCCC[N@H+](CC[NH3+])[C@H](C)COC 69906419 572158728 /nfs/dbraw/zinc/15/87/28/572158728.db2.gz BNHPBHFBDRDLNY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCCC[N@@H+](CC[NH3+])[C@H](C)COC 69906419 572158730 /nfs/dbraw/zinc/15/87/30/572158730.db2.gz BNHPBHFBDRDLNY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC(CC)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484658 572158817 /nfs/dbraw/zinc/15/88/17/572158817.db2.gz OFTOHTSTRTXUAQ-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484689 572160437 /nfs/dbraw/zinc/16/04/37/572160437.db2.gz ZMOYXOOSSLGVAU-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C(C)C 37484850 572158950 /nfs/dbraw/zinc/15/89/50/572158950.db2.gz KGHLIWYHXYSGGI-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H](Cc1c[nH+]ccc1N)[NH2+]C 69941496 572160585 /nfs/dbraw/zinc/16/05/85/572160585.db2.gz WTSPTTBDNKQDNJ-SNVBAGLBSA-N 2 1 193.294 1.594 10 0 ADAEMP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484688 572159033 /nfs/dbraw/zinc/15/90/33/572159033.db2.gz ZMOYXOOSSLGVAU-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]CCn1cc[nH+]c1C 300391282 572159091 /nfs/dbraw/zinc/15/90/91/572159091.db2.gz VKZWSLNKJMQTTQ-MNOVXSKESA-N 2 1 193.294 1.580 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1[NH2+]CC[C@@H]1C 300388571 572159095 /nfs/dbraw/zinc/15/90/95/572159095.db2.gz QVPZPFYBHJQELM-WHOHXGKFSA-N 2 1 196.338 1.763 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37485322 572159116 /nfs/dbraw/zinc/15/91/16/572159116.db2.gz VTKPIRPDGZHXQJ-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@@H+](C)Cc1cc(F)ccc1C[NH3+] 82864964 572159298 /nfs/dbraw/zinc/15/92/98/572159298.db2.gz UYAMHERXRGLYHD-UHFFFAOYSA-N 2 1 196.269 1.736 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)[NH2+]C 300391840 572159306 /nfs/dbraw/zinc/15/93/06/572159306.db2.gz VXOYCEIYEXSSDD-IVZWLZJFSA-N 2 1 170.300 1.373 10 0 ADAEMP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484683 572159328 /nfs/dbraw/zinc/15/93/28/572159328.db2.gz AUPZRFDKKOFRET-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37484778 572159359 /nfs/dbraw/zinc/15/93/59/572159359.db2.gz WKXFQLZANXHIEP-GHMZBOCLSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)CC[NH2+]C[C@H]1CC[N@@H+](C)C1 37484665 572159391 /nfs/dbraw/zinc/15/93/91/572159391.db2.gz ZUYZLQHXVCFGOG-LLVKDONJSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484687 572159399 /nfs/dbraw/zinc/15/93/99/572159399.db2.gz ZMOYXOOSSLGVAU-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484684 572159458 /nfs/dbraw/zinc/15/94/58/572159458.db2.gz AUPZRFDKKOFRET-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP CCC(CC)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484703 572159474 /nfs/dbraw/zinc/15/94/74/572159474.db2.gz ZSSKECVDAUTLTK-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])Cc1cc[nH+]c(N)c1 69942430 572159511 /nfs/dbraw/zinc/15/95/11/572159511.db2.gz FVBGKTZWOSFTOT-PSASIEDQSA-N 2 1 193.294 1.580 10 0 ADAEMP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484750 572159530 /nfs/dbraw/zinc/15/95/30/572159530.db2.gz FCMYZAMACUVBML-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)(C)[NH2+]CCc1cc[nH+]c(N)c1 69942481 572159541 /nfs/dbraw/zinc/15/95/41/572159541.db2.gz PADVVGIXYFRLTR-UHFFFAOYSA-N 2 1 193.294 1.594 10 0 ADAEMP CC(C)[NH2+]CCc1c[nH+]ccc1N 69941593 572159545 /nfs/dbraw/zinc/15/95/45/572159545.db2.gz OOEQHDNHVXIJSU-UHFFFAOYSA-N 2 1 179.267 1.204 10 0 ADAEMP CC[NH2+][C@H](CC)Cc1c[nH+]ccc1N 69941486 572159587 /nfs/dbraw/zinc/15/95/87/572159587.db2.gz OGVLVSJDUBSGSE-SNVBAGLBSA-N 2 1 193.294 1.594 10 0 ADAEMP CC[C@H](Cc1c[nH+]ccc1N)[NH2+]C 69941483 572159598 /nfs/dbraw/zinc/15/95/98/572159598.db2.gz LQBCZSPTQXBZAL-SECBINFHSA-N 2 1 179.267 1.204 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CCC(C)C)C1 37484208 572159630 /nfs/dbraw/zinc/15/96/30/572159630.db2.gz SRUFXORJRQWHRO-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+][C@@H](CC)Cc1c[nH+]ccc1N 69941485 572159645 /nfs/dbraw/zinc/15/96/45/572159645.db2.gz OGVLVSJDUBSGSE-JTQLQIEISA-N 2 1 193.294 1.594 10 0 ADAEMP CC(C)C[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942183 572159654 /nfs/dbraw/zinc/15/96/54/572159654.db2.gz CEJHYQWJIBORFP-SNVBAGLBSA-N 2 1 193.294 1.580 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942435 572159707 /nfs/dbraw/zinc/15/97/07/572159707.db2.gz FVBGKTZWOSFTOT-WPRPVWTQSA-N 2 1 193.294 1.580 10 0 ADAEMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C(C)C 37484849 572159709 /nfs/dbraw/zinc/15/97/09/572159709.db2.gz KGHLIWYHXYSGGI-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]CC[C@@H]1C 300388569 572159739 /nfs/dbraw/zinc/15/97/39/572159739.db2.gz QVPZPFYBHJQELM-USZNOCQGSA-N 2 1 196.338 1.763 10 0 ADAEMP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37484753 572159862 /nfs/dbraw/zinc/15/98/62/572159862.db2.gz FCMYZAMACUVBML-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1[NH2+]CC[C@H]1C 300388573 572159942 /nfs/dbraw/zinc/15/99/42/572159942.db2.gz QVPZPFYBHJQELM-WISYIIOYSA-N 2 1 196.338 1.763 10 0 ADAEMP CCC[NH2+][C@H](C)Cc1cc[nH+]c(N)c1 69942284 572159933 /nfs/dbraw/zinc/15/99/33/572159933.db2.gz HELAJISHNMRHSN-SECBINFHSA-N 2 1 193.294 1.594 10 0 ADAEMP CCC[C@H](Cc1cc[nH+]c(N)c1)[NH2+]C 69942288 572159976 /nfs/dbraw/zinc/15/99/76/572159976.db2.gz ALOBALJEBWPMCS-SNVBAGLBSA-N 2 1 193.294 1.594 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)[NH2+]C 300391836 572160056 /nfs/dbraw/zinc/16/00/56/572160056.db2.gz VXOYCEIYEXSSDD-AEJSXWLSSA-N 2 1 170.300 1.373 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37485321 572160066 /nfs/dbraw/zinc/16/00/66/572160066.db2.gz VTKPIRPDGZHXQJ-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)C 69941476 572160139 /nfs/dbraw/zinc/16/01/39/572160139.db2.gz IZDSUUITSFVLTB-NSHDSACASA-N 2 1 193.294 1.450 10 0 ADAEMP CC[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C 69942260 572160236 /nfs/dbraw/zinc/16/02/36/572160236.db2.gz LSJDLQKFODFLFX-VIFPVBQESA-N 2 1 179.267 1.204 10 0 ADAEMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484682 572160237 /nfs/dbraw/zinc/16/02/37/572160237.db2.gz AUPZRFDKKOFRET-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+][C@H](CC)Cc1cc[nH+]c(N)c1 69942265 572160319 /nfs/dbraw/zinc/16/03/19/572160319.db2.gz QARPZBQLDSFUAK-SNVBAGLBSA-N 2 1 193.294 1.594 10 0 ADAEMP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484751 572160329 /nfs/dbraw/zinc/16/03/29/572160329.db2.gz FCMYZAMACUVBML-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942210 572160336 /nfs/dbraw/zinc/16/03/36/572160336.db2.gz UZOSYLFDHWFFSQ-SECBINFHSA-N 2 1 179.267 1.334 10 0 ADAEMP CCC(CC)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37484659 572160387 /nfs/dbraw/zinc/16/03/87/572160387.db2.gz OFTOHTSTRTXUAQ-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)(C)[NH2+]CCc1c[nH+]ccc1N 69941595 572160490 /nfs/dbraw/zinc/16/04/90/572160490.db2.gz AVORCALZUKLPIX-UHFFFAOYSA-N 2 1 193.294 1.594 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942433 572160508 /nfs/dbraw/zinc/16/05/08/572160508.db2.gz FVBGKTZWOSFTOT-SCZZXKLOSA-N 2 1 193.294 1.580 10 0 ADAEMP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1CC1 69942299 572160544 /nfs/dbraw/zinc/16/05/44/572160544.db2.gz ANUBRAVUBHCUIP-JTQLQIEISA-N 2 1 191.278 1.204 10 0 ADAEMP CCC[NH2+][C@H](C)Cc1c[nH+]ccc1N 69941494 572160558 /nfs/dbraw/zinc/16/05/58/572160558.db2.gz RNZUFHXNAHKUMU-SECBINFHSA-N 2 1 193.294 1.594 10 0 ADAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1CC1 37484706 572160601 /nfs/dbraw/zinc/16/06/01/572160601.db2.gz MFZXGBRUQZQVMM-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)C 69942244 572160613 /nfs/dbraw/zinc/16/06/13/572160613.db2.gz DJJHSYVYWOHTKJ-SNVBAGLBSA-N 2 1 193.294 1.450 10 0 ADAEMP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484702 572160623 /nfs/dbraw/zinc/16/06/23/572160623.db2.gz ZSSKECVDAUTLTK-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)C 69941475 572160645 /nfs/dbraw/zinc/16/06/45/572160645.db2.gz IZDSUUITSFVLTB-LLVKDONJSA-N 2 1 193.294 1.450 10 0 ADAEMP CCCCC[NH2+]C[C@H]1CC[N@@H+](C)C1 37484759 572160710 /nfs/dbraw/zinc/16/07/10/572160710.db2.gz ULDFNDAWEBQVQL-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[NH2+][C@@H](C)Cc1c[nH+]ccc1N 69941491 572160725 /nfs/dbraw/zinc/16/07/25/572160725.db2.gz HUAYHBOODYKKOO-QMMMGPOBSA-N 2 1 179.267 1.204 10 0 ADAEMP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C1CC1 69941501 572160822 /nfs/dbraw/zinc/16/08/22/572160822.db2.gz UHQMRNLEFSJLLO-NSHDSACASA-N 2 1 191.278 1.204 10 0 ADAEMP CCC[C@@H](Cc1c[nH+]ccc1N)[NH2+]C 69941495 572160832 /nfs/dbraw/zinc/16/08/32/572160832.db2.gz WTSPTTBDNKQDNJ-JTQLQIEISA-N 2 1 193.294 1.594 10 0 ADAEMP CC(C)CC[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484664 572160883 /nfs/dbraw/zinc/16/08/83/572160883.db2.gz ZUYZLQHXVCFGOG-NSHDSACASA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1(C)CC1 37484792 572160908 /nfs/dbraw/zinc/16/09/08/572160908.db2.gz FPGLFCNFWSUZFP-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484763 572160960 /nfs/dbraw/zinc/16/09/60/572160960.db2.gz KHERWNADTWOMFG-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]CCc1cc[nH+]c(N)c1 69942475 572161009 /nfs/dbraw/zinc/16/10/09/572161009.db2.gz JMYGBEHLBXTXKA-UHFFFAOYSA-N 2 1 179.267 1.206 10 0 ADAEMP CC[NH2+][C@@H](C)Cc1cc[nH+]c(N)c1 69942278 572160971 /nfs/dbraw/zinc/16/09/71/572160971.db2.gz BHHONQJWALAJHS-QMMMGPOBSA-N 2 1 179.267 1.204 10 0 ADAEMP CCC[C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C 69942287 572160993 /nfs/dbraw/zinc/16/09/93/572160993.db2.gz ALOBALJEBWPMCS-JTQLQIEISA-N 2 1 193.294 1.594 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]CC[C@H]1C 300388575 572160996 /nfs/dbraw/zinc/16/09/96/572160996.db2.gz QVPZPFYBHJQELM-WYUUTHIRSA-N 2 1 196.338 1.763 10 0 ADAEMP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1CC1 69942300 572161026 /nfs/dbraw/zinc/16/10/26/572161026.db2.gz ANUBRAVUBHCUIP-SNVBAGLBSA-N 2 1 191.278 1.204 10 0 ADAEMP CC[C@H](Cc1cc[nH+]c(N)c1)[NH2+]C 69942261 572161053 /nfs/dbraw/zinc/16/10/53/572161053.db2.gz LSJDLQKFODFLFX-SECBINFHSA-N 2 1 179.267 1.204 10 0 ADAEMP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+](C)C1 37484752 572161139 /nfs/dbraw/zinc/16/11/39/572161139.db2.gz FCMYZAMACUVBML-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])Cc1cc[nH+]c(N)c1 69942432 572161325 /nfs/dbraw/zinc/16/13/25/572161325.db2.gz FVBGKTZWOSFTOT-WCBMZHEXSA-N 2 1 193.294 1.580 10 0 ADAEMP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484552 572161682 /nfs/dbraw/zinc/16/16/82/572161682.db2.gz CBGCREFVDMSFNP-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CC2)C1 37484305 572161497 /nfs/dbraw/zinc/16/14/97/572161497.db2.gz IZVGEAZGPHBTHC-NSHDSACASA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484251 572161528 /nfs/dbraw/zinc/16/15/28/572161528.db2.gz HCHLWOIZVUZLTL-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CC(C)[NH2+]CCc1cc[nH+]c(N)c1 69942477 572161579 /nfs/dbraw/zinc/16/15/79/572161579.db2.gz XKHSGGUZPPRUHZ-UHFFFAOYSA-N 2 1 179.267 1.204 10 0 ADAEMP CC[NH2+][C@@H](CC)Cc1cc[nH+]c(N)c1 69942264 572161662 /nfs/dbraw/zinc/16/16/62/572161662.db2.gz QARPZBQLDSFUAK-JTQLQIEISA-N 2 1 193.294 1.594 10 0 ADAEMP CC(C)C[C@H]([NH3+])Cc1cc[nH+]c(N)c1 69942181 572161667 /nfs/dbraw/zinc/16/16/67/572161667.db2.gz CEJHYQWJIBORFP-JTQLQIEISA-N 2 1 193.294 1.580 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H]([NH3+])CCC 69963667 572162040 /nfs/dbraw/zinc/16/20/40/572162040.db2.gz ZTTSUMKNKSVNAK-SNVBAGLBSA-N 2 1 195.310 1.963 10 0 ADAEMP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484545 572162171 /nfs/dbraw/zinc/16/21/71/572162171.db2.gz ZWTOVTZICNQIND-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H](C)C[NH3+] 69963297 572162242 /nfs/dbraw/zinc/16/22/42/572162242.db2.gz FDKLXNOFIKMLQR-VIFPVBQESA-N 2 1 181.283 1.430 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)CC[NH3+] 69963313 572162452 /nfs/dbraw/zinc/16/24/52/572162452.db2.gz IMLFGSGXTKTOBP-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)CC(N)=[NH2+] 69964224 572162460 /nfs/dbraw/zinc/16/24/60/572162460.db2.gz DFGSSIZIHJRLOT-QMMMGPOBSA-N 2 1 194.282 1.723 10 0 ADAEMP CCCC[NH2+]C[C@@H]1CC[N@@H+](CC)C1 37484248 572162469 /nfs/dbraw/zinc/16/24/69/572162469.db2.gz JRZULHMPMNLUDE-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)[C@H](C)[NH3+] 69963588 572162483 /nfs/dbraw/zinc/16/24/83/572162483.db2.gz HEGNBHLEEURLFH-IUCAKERBSA-N 2 1 181.283 1.744 10 0 ADAEMP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484553 572162500 /nfs/dbraw/zinc/16/25/00/572162500.db2.gz CBGCREFVDMSFNP-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)[C@@H](C)[NH3+] 69963587 572162640 /nfs/dbraw/zinc/16/26/40/572162640.db2.gz HEGNBHLEEURLFH-RKDXNWHRSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1CCCC(N)=[NH2+] 69945137 572162727 /nfs/dbraw/zinc/16/27/27/572162727.db2.gz VCUIWYHJPYCAGK-JTQLQIEISA-N 2 1 197.326 1.967 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H](C)C(N)=[NH2+] 69964200 572162981 /nfs/dbraw/zinc/16/29/81/572162981.db2.gz OUPMQDMGTSJGQR-QMMMGPOBSA-N 2 1 194.282 1.408 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](CC)C(N)=[NH2+] 69964230 572163239 /nfs/dbraw/zinc/16/32/39/572163239.db2.gz FYMLKYHXSQKJCY-QMMMGPOBSA-N 2 1 194.282 1.723 10 0 ADAEMP CCCc1[nH+]ccn1CCC[C@H](C)[NH3+] 69963607 572163099 /nfs/dbraw/zinc/16/30/99/572163099.db2.gz NAOPDFPAKYMUFA-JTQLQIEISA-N 2 1 195.310 1.963 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H](CC)[NH2+]C 69963580 572163119 /nfs/dbraw/zinc/16/31/19/572163119.db2.gz UCAKCLTUHINPKL-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1CCCC[NH3+] 69944391 572163129 /nfs/dbraw/zinc/16/31/29/572163129.db2.gz SDYVUZQQWVVIIF-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CCCc1[nH+]ccn1CCCCC[NH3+] 69963309 572163511 /nfs/dbraw/zinc/16/35/11/572163511.db2.gz CSVPRMGCKSPUHG-UHFFFAOYSA-N 2 1 195.310 1.965 10 0 ADAEMP CCCc1[nH+]ccn1CC[C@H](C)[NH3+] 69963818 572163170 /nfs/dbraw/zinc/16/31/70/572163170.db2.gz JIOQHQNVGGCTKJ-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C)C1 37484546 572163183 /nfs/dbraw/zinc/16/31/83/572163183.db2.gz ZWTOVTZICNQIND-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCCc1[nH+]ccn1CC[C@@H](C)[NH2+]C 69963528 572163360 /nfs/dbraw/zinc/16/33/60/572163360.db2.gz KKCIBSLDRPNLFI-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CCCc1[nH+]ccn1CC[NH2+]C(C)C 69963680 572163291 /nfs/dbraw/zinc/16/32/91/572163291.db2.gz AIYCJBJSAFHUAJ-UHFFFAOYSA-N 2 1 195.310 1.834 10 0 ADAEMP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484548 572163305 /nfs/dbraw/zinc/16/33/05/572163305.db2.gz ZWTOVTZICNQIND-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C)C1 37484554 572163331 /nfs/dbraw/zinc/16/33/31/572163331.db2.gz CBGCREFVDMSFNP-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](CC)C(N)=[NH2+] 69964231 572163403 /nfs/dbraw/zinc/16/34/03/572163403.db2.gz FYMLKYHXSQKJCY-MRVPVSSYSA-N 2 1 194.282 1.723 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1CCCC[NH3+] 69944389 572163429 /nfs/dbraw/zinc/16/34/29/572163429.db2.gz SDYVUZQQWVVIIF-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)CC(N)=[NH2+] 69964227 572163437 /nfs/dbraw/zinc/16/34/37/572163437.db2.gz DFGSSIZIHJRLOT-MRVPVSSYSA-N 2 1 194.282 1.723 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H]([NH3+])CCC 69963670 572163478 /nfs/dbraw/zinc/16/34/78/572163478.db2.gz ZTTSUMKNKSVNAK-JTQLQIEISA-N 2 1 195.310 1.963 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H](C)C[NH2+]C 69964784 572163524 /nfs/dbraw/zinc/16/35/24/572163524.db2.gz JAIYWKJPEGCJEC-SNVBAGLBSA-N 2 1 195.310 1.691 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)C[NH2+]C 69964722 572163529 /nfs/dbraw/zinc/16/35/29/572163529.db2.gz QCIXARNJVVARJR-SECBINFHSA-N 2 1 181.283 1.616 10 0 ADAEMP CCCc1[nH+]ccn1CC[C@H](C)[NH2+]C 69963531 572163538 /nfs/dbraw/zinc/16/35/38/572163538.db2.gz KKCIBSLDRPNLFI-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CCCc1[nH+]ccn1CC[NH2+]CC 69963638 572163577 /nfs/dbraw/zinc/16/35/77/572163577.db2.gz IDSYDIPWPJXLOJ-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP CCCc1[nH+]ccn1CCCC[NH2+]C 69964746 572163598 /nfs/dbraw/zinc/16/35/98/572163598.db2.gz YPJGHQBMUCJVBL-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H](C)C[NH2+]C 69964782 572163605 /nfs/dbraw/zinc/16/36/05/572163605.db2.gz JAIYWKJPEGCJEC-JTQLQIEISA-N 2 1 195.310 1.691 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)CC[NH3+] 69963315 572163731 /nfs/dbraw/zinc/16/37/31/572163731.db2.gz IMLFGSGXTKTOBP-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H](C)C[NH3+] 69963300 572163685 /nfs/dbraw/zinc/16/36/85/572163685.db2.gz FDKLXNOFIKMLQR-SECBINFHSA-N 2 1 181.283 1.430 10 0 ADAEMP CCCc1[nH+]ccn1CCCC(N)=[NH2+] 69964220 572163765 /nfs/dbraw/zinc/16/37/65/572163765.db2.gz ZJTUZFTVRRDMCR-UHFFFAOYSA-N 2 1 194.282 1.552 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1CCCC(N)=[NH2+] 69945136 572163801 /nfs/dbraw/zinc/16/38/01/572163801.db2.gz VCUIWYHJPYCAGK-SNVBAGLBSA-N 2 1 197.326 1.967 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H]([NH3+])CC 69963574 572163946 /nfs/dbraw/zinc/16/39/46/572163946.db2.gz BHLNSVQPYRJITP-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CC2CC2)C1 37484304 572164029 /nfs/dbraw/zinc/16/40/29/572164029.db2.gz IZVGEAZGPHBTHC-LLVKDONJSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@@H]1C[C@H]1NC[C@H]1CCCC[NH2+]1 300393251 572164765 /nfs/dbraw/zinc/16/47/65/572164765.db2.gz XLIZBBRIIIOIIU-GMTAPVOTSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300393251 572164768 /nfs/dbraw/zinc/16/47/68/572164768.db2.gz XLIZBBRIIIOIIU-GMTAPVOTSA-N 2 1 182.311 1.517 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)C(N)=[NH2+] 69964207 572164325 /nfs/dbraw/zinc/16/43/25/572164325.db2.gz GCYGHKWZTGXMOR-SSDOTTSWSA-N 2 1 180.255 1.333 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)C[NH3+] 69963321 572164353 /nfs/dbraw/zinc/16/43/53/572164353.db2.gz SRQWPIBEGNDUDG-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CCCC[NH2+]C[C@H]1CC[N@@H+](CC)C1 37484249 572164441 /nfs/dbraw/zinc/16/44/41/572164441.db2.gz JRZULHMPMNLUDE-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)C[NH2+]C 69964719 572164485 /nfs/dbraw/zinc/16/44/85/572164485.db2.gz QCIXARNJVVARJR-VIFPVBQESA-N 2 1 181.283 1.616 10 0 ADAEMP C[NH2+]CCC[N@H+]1CCCCC[C@H]1C 69944779 572164541 /nfs/dbraw/zinc/16/45/41/572164541.db2.gz KMJVQWSBVOUMFB-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)C(N)=[NH2+] 69964204 572164593 /nfs/dbraw/zinc/16/45/93/572164593.db2.gz GCYGHKWZTGXMOR-ZETCQYMHSA-N 2 1 180.255 1.333 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C[NH3+])C(C)C 69964799 572164655 /nfs/dbraw/zinc/16/46/55/572164655.db2.gz OCZCKKQJPBVGCC-SNVBAGLBSA-N 2 1 195.310 1.991 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)C[NH3+] 69963319 572164741 /nfs/dbraw/zinc/16/47/41/572164741.db2.gz SRQWPIBEGNDUDG-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H](C)C(N)=[NH2+] 69964197 572165122 /nfs/dbraw/zinc/16/51/22/572165122.db2.gz OUPMQDMGTSJGQR-MRVPVSSYSA-N 2 1 194.282 1.408 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H](CC)[NH2+]C 69963582 572164992 /nfs/dbraw/zinc/16/49/92/572164992.db2.gz UCAKCLTUHINPKL-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300394050 572165684 /nfs/dbraw/zinc/16/56/84/572165684.db2.gz YQKGXYKDJMDBNV-GHMZBOCLSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 300393592 572165858 /nfs/dbraw/zinc/16/58/58/572165858.db2.gz YBMKZZUIXHEOOM-BBBLOLIVSA-N 2 1 168.284 1.127 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300394052 572165996 /nfs/dbraw/zinc/16/59/96/572165996.db2.gz YQKGXYKDJMDBNV-WDEREUQCSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C[C@@H]2C)C1 70045499 572166486 /nfs/dbraw/zinc/16/64/86/572166486.db2.gz XHFGHCZMJJPIGD-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1[NH2+]CCC[C@@H]1C 300394509 572166537 /nfs/dbraw/zinc/16/65/37/572166537.db2.gz ZDVAJBQXADBCME-WHOHXGKFSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H](CC(F)(F)F)[NH2+]CC1([NH3+])CC1 235157818 572167454 /nfs/dbraw/zinc/16/74/54/572167454.db2.gz IHRIIMXZQLJGGF-LURJTMIESA-N 2 1 196.216 1.408 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]CCC[C@@H]1C 300394508 572167503 /nfs/dbraw/zinc/16/75/03/572167503.db2.gz ZDVAJBQXADBCME-USZNOCQGSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]1[NH2+]CCC[C@H]1C 300394510 572167833 /nfs/dbraw/zinc/16/78/33/572167833.db2.gz ZDVAJBQXADBCME-WISYIIOYSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[N@@H+]1CCC2(CC2)C1 400031922 572169981 /nfs/dbraw/zinc/16/99/81/572169981.db2.gz HPKAODDXGAEAON-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[N@H+]1CCC2(CC2)C1 400031922 572169986 /nfs/dbraw/zinc/16/99/86/572169986.db2.gz HPKAODDXGAEAON-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CC[C@](C)(C[NH2+]C)C1 300400102 572170990 /nfs/dbraw/zinc/17/09/90/572170990.db2.gz IXERLFANKXVDFG-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@](C)(C[NH2+]C)C1 300400208 572172159 /nfs/dbraw/zinc/17/21/59/572172159.db2.gz PRICHNKEOLXZMN-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 300401604 572171164 /nfs/dbraw/zinc/17/11/64/572171164.db2.gz CQMWCSFDQPKNTR-QCNOEVLYSA-N 2 1 196.338 1.605 10 0 ADAEMP C[NH2+]C[C@H](C)Oc1cc[nH+]cc1C 70047813 572171191 /nfs/dbraw/zinc/17/11/91/572171191.db2.gz QSQOEURKTIMWLJ-VIFPVBQESA-N 2 1 180.251 1.377 10 0 ADAEMP CC[N@@H+](C)CCNc1cc[nH+]cc1C 70047376 572172253 /nfs/dbraw/zinc/17/22/53/572172253.db2.gz KZMRUDMFWLXJHP-UHFFFAOYSA-N 2 1 193.294 1.754 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 70045795 572171301 /nfs/dbraw/zinc/17/13/01/572171301.db2.gz IIIYIZQVSWZUJX-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 300401603 572171389 /nfs/dbraw/zinc/17/13/89/572171389.db2.gz CQMWCSFDQPKNTR-NOOOWODRSA-N 2 1 196.338 1.605 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@@H+]1CCC[C@H]1C 70045743 572173214 /nfs/dbraw/zinc/17/32/14/572173214.db2.gz SYUREGQFKVHFSF-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP Cc1c[nH+]ccc1OCCC[NH3+] 70047826 572171545 /nfs/dbraw/zinc/17/15/45/572171545.db2.gz WICKWNSDYNAYIV-UHFFFAOYSA-N 2 1 166.224 1.118 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]C[C@@H]1C 70045749 572171551 /nfs/dbraw/zinc/17/15/51/572171551.db2.gz PKYMCJWSKGUZHM-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H]1CC[NH2+]C[C@H]1C 70045792 572171623 /nfs/dbraw/zinc/17/16/23/572171623.db2.gz IIIYIZQVSWZUJX-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]CCOc1cc[nH+]cc1C 70047822 572171636 /nfs/dbraw/zinc/17/16/36/572171636.db2.gz PXSPYPQZSWJNGZ-UHFFFAOYSA-N 2 1 194.278 1.768 10 0 ADAEMP C[NH2+]C[C@@H](C)Oc1cc[nH+]cc1C 70047815 572171726 /nfs/dbraw/zinc/17/17/26/572171726.db2.gz QSQOEURKTIMWLJ-SECBINFHSA-N 2 1 180.251 1.377 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CC[NH2+]C[C@@H]2C)C1 70045758 572171999 /nfs/dbraw/zinc/17/19/99/572171999.db2.gz CINOQYYQPCWTKY-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C(C)C 70068217 572172111 /nfs/dbraw/zinc/17/21/11/572172111.db2.gz LERRMSGMTJLLTA-SNVBAGLBSA-N 2 1 195.310 1.862 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](c2[nH+]ccn2C)[C@@H]1C 83032628 572172181 /nfs/dbraw/zinc/17/21/81/572172181.db2.gz JDYNIYBTNKQYKL-GUBZILKMSA-N 2 1 193.294 1.522 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 300401868 572172275 /nfs/dbraw/zinc/17/22/75/572172275.db2.gz HNWXNSAJXKXHNP-WRWGMCAJSA-N 2 1 196.338 1.605 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CC[C@@H]([NH3+])[C@@H]1C 83003365 572172325 /nfs/dbraw/zinc/17/23/25/572172325.db2.gz UZBYKTQUAVNAHC-KXUCPTDWSA-N 2 1 193.294 1.744 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CC[C@H]([NH3+])[C@@H]1C 83003362 572172376 /nfs/dbraw/zinc/17/23/76/572172376.db2.gz UZBYKTQUAVNAHC-UTLUCORTSA-N 2 1 193.294 1.744 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045793 572172515 /nfs/dbraw/zinc/17/25/15/572172515.db2.gz IIIYIZQVSWZUJX-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@](C)(C[NH2+]C)C1 300400207 572172526 /nfs/dbraw/zinc/17/25/26/572172526.db2.gz PRICHNKEOLXZMN-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[C@@H]1c1[nH+]ccn1C 83003292 572172561 /nfs/dbraw/zinc/17/25/61/572172561.db2.gz YFCJFZSYPCDGSX-VGMNWLOBSA-N 2 1 179.267 1.261 10 0 ADAEMP C[NH2+]C[C@H](C)Cn1cc[nH+]c1C(C)C 70068216 572172786 /nfs/dbraw/zinc/17/27/86/572172786.db2.gz LERRMSGMTJLLTA-JTQLQIEISA-N 2 1 195.310 1.862 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[C@@H]1c1ccc[nH+]c1N 83032285 572172799 /nfs/dbraw/zinc/17/27/99/572172799.db2.gz RBAKGSDOZRIOJI-WEDXCCLWSA-N 2 1 191.278 1.505 10 0 ADAEMP CC[NH2+]CCOc1cc[nH+]cc1C 70047820 572172984 /nfs/dbraw/zinc/17/29/84/572172984.db2.gz ZEEISQQUKCCMTA-UHFFFAOYSA-N 2 1 180.251 1.378 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@](C)(C[NH2+]C)C1 300400101 572173054 /nfs/dbraw/zinc/17/30/54/572173054.db2.gz IXERLFANKXVDFG-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@@H+]1CCC[C@@H]1C 70045744 572173394 /nfs/dbraw/zinc/17/33/94/572173394.db2.gz SYUREGQFKVHFSF-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 300401866 572173419 /nfs/dbraw/zinc/17/34/19/572173419.db2.gz HNWXNSAJXKXHNP-USZNOCQGSA-N 2 1 196.338 1.605 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045796 572173455 /nfs/dbraw/zinc/17/34/55/572173455.db2.gz IIIYIZQVSWZUJX-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045370 572173529 /nfs/dbraw/zinc/17/35/29/572173529.db2.gz YQKLRDNYKKZZMM-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCN(CCC[NH3+])c1cccc(C)[nH+]1 37670366 572173562 /nfs/dbraw/zinc/17/35/62/572173562.db2.gz IKUSUHMGLKEICM-UHFFFAOYSA-N 2 1 193.294 1.565 10 0 ADAEMP Cc1cccc(N(C)CCC(N)=[NH2+])[nH+]1 37670463 572173604 /nfs/dbraw/zinc/17/36/04/572173604.db2.gz PZUZCRHTSOQOCI-UHFFFAOYSA-N 2 1 192.266 1.152 10 0 ADAEMP CN[C@H](C)C[NH+](CC1CC1)CC1CC1 70064169 572174186 /nfs/dbraw/zinc/17/41/86/572174186.db2.gz RGRZFIBKAYKHBJ-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CN[C@@H](C)C[NH+](CC1CC1)CC1CC1 70064168 572174315 /nfs/dbraw/zinc/17/43/15/572174315.db2.gz RGRZFIBKAYKHBJ-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C(N)=[NH2+])[NH+](CC1CC1)CC1CC1 70064315 572174350 /nfs/dbraw/zinc/17/43/50/572174350.db2.gz XMUJCPFXXNYDMQ-MRVPVSSYSA-N 2 1 195.310 1.433 10 0 ADAEMP NC(=[NH2+])C[NH+](CC1CC1)CC1CC1 70064305 572174384 /nfs/dbraw/zinc/17/43/84/572174384.db2.gz WGXXHJPETAIZQN-UHFFFAOYSA-N 2 1 181.283 1.044 10 0 ADAEMP CNC[C@H](C)[NH+](CC1CC1)CC1CC1 70064547 572174550 /nfs/dbraw/zinc/17/45/50/572174550.db2.gz UQQQXRPGVZFNMU-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 220185531 572174607 /nfs/dbraw/zinc/17/46/07/572174607.db2.gz GIBLKVHKRHQWDB-QJPTWQEYSA-N 2 1 196.338 1.868 10 0 ADAEMP NCC[NH2+]Cc1ccc2c(c1)CCC2 70063423 572175030 /nfs/dbraw/zinc/17/50/30/572175030.db2.gz MNFYOSRHEQZVLB-UHFFFAOYSA-N 2 1 190.290 1.224 10 0 ADAEMP [NH3+]CC[NH2+]Cc1ccc2c(c1)CCC2 70063423 572175034 /nfs/dbraw/zinc/17/50/34/572175034.db2.gz MNFYOSRHEQZVLB-UHFFFAOYSA-N 2 1 190.290 1.224 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[NH+](CC1CC1)CC1CC1 70064314 572175100 /nfs/dbraw/zinc/17/51/00/572175100.db2.gz XMUJCPFXXNYDMQ-QMMMGPOBSA-N 2 1 195.310 1.433 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@H]1C 300403412 572175560 /nfs/dbraw/zinc/17/55/60/572175560.db2.gz ZDULWUCOTGDQQW-WOPDTQHZSA-N 2 1 198.354 1.996 10 0 ADAEMP CNC[C@@H](C)[NH+](CC1CC1)CC1CC1 70064548 572175632 /nfs/dbraw/zinc/17/56/32/572175632.db2.gz UQQQXRPGVZFNMU-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[N@@H+]1CCC2(CC2)C1 400031927 572175766 /nfs/dbraw/zinc/17/57/66/572175766.db2.gz HPKAODDXGAEAON-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[N@H+]1CCC2(CC2)C1 400031927 572175769 /nfs/dbraw/zinc/17/57/69/572175769.db2.gz HPKAODDXGAEAON-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C[C@H]1CCC[C@H]1C 300403411 572175975 /nfs/dbraw/zinc/17/59/75/572175975.db2.gz ZDULWUCOTGDQQW-UTUOFQBUSA-N 2 1 198.354 1.996 10 0 ADAEMP CC(C)C[C@H](C)C[N@@H+](C)CCC(N)=[NH2+] 300961275 572176811 /nfs/dbraw/zinc/17/68/11/572176811.db2.gz QYCDWOOBGGDLSM-JTQLQIEISA-N 2 1 199.342 1.926 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923167 572176835 /nfs/dbraw/zinc/17/68/35/572176835.db2.gz IFOJCMZFVXIHOT-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923167 572176837 /nfs/dbraw/zinc/17/68/37/572176837.db2.gz IFOJCMZFVXIHOT-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1cc(C)c(C[NH2+]CCN)cc1C 37712957 572177283 /nfs/dbraw/zinc/17/72/83/572177283.db2.gz OQVCZQIROFJKBA-UHFFFAOYSA-N 2 1 192.306 1.660 10 0 ADAEMP Cc1cc(C)c(C[NH2+]CC[NH3+])cc1C 37712957 572177285 /nfs/dbraw/zinc/17/72/85/572177285.db2.gz OQVCZQIROFJKBA-UHFFFAOYSA-N 2 1 192.306 1.660 10 0 ADAEMP Cc1ccc(C[NH2+]CCN)cc1C 37712975 572178873 /nfs/dbraw/zinc/17/88/73/572178873.db2.gz FUWCFZCAVDSKDV-UHFFFAOYSA-N 2 1 178.279 1.352 10 0 ADAEMP Cc1ccc(C[NH2+]CC[NH3+])cc1C 37712975 572178874 /nfs/dbraw/zinc/17/88/74/572178874.db2.gz FUWCFZCAVDSKDV-UHFFFAOYSA-N 2 1 178.279 1.352 10 0 ADAEMP CC(C)C[C@@H](C)C[N@@H+](C)CCC(N)=[NH2+] 300961278 572177771 /nfs/dbraw/zinc/17/77/71/572177771.db2.gz QYCDWOOBGGDLSM-SNVBAGLBSA-N 2 1 199.342 1.926 10 0 ADAEMP CCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923181 572178119 /nfs/dbraw/zinc/17/81/19/572178119.db2.gz FAZCZGZMIYDIDA-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923181 572178123 /nfs/dbraw/zinc/17/81/23/572178123.db2.gz FAZCZGZMIYDIDA-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CCCCC[C@@H](C)[NH2+]CC[NH3+] 37712663 572178201 /nfs/dbraw/zinc/17/82/01/572178201.db2.gz GGCCBSIPPOWVBJ-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CC(C)[C@@H]([NH2+]CCN)c1cccs1 37712917 572178250 /nfs/dbraw/zinc/17/82/50/572178250.db2.gz DOYOIIVINLTFIN-SNVBAGLBSA-N 2 1 198.335 1.994 10 0 ADAEMP CC(C)[C@@H]([NH2+]CC[NH3+])c1cccs1 37712917 572178252 /nfs/dbraw/zinc/17/82/52/572178252.db2.gz DOYOIIVINLTFIN-SNVBAGLBSA-N 2 1 198.335 1.994 10 0 ADAEMP Cc1ccc(C[NH2+]CCN)c(C)c1 37712249 572178456 /nfs/dbraw/zinc/17/84/56/572178456.db2.gz ZDEXBSVIZXSQHQ-UHFFFAOYSA-N 2 1 178.279 1.352 10 0 ADAEMP Cc1ccc(C[NH2+]CC[NH3+])c(C)c1 37712249 572178458 /nfs/dbraw/zinc/17/84/58/572178458.db2.gz ZDEXBSVIZXSQHQ-UHFFFAOYSA-N 2 1 178.279 1.352 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923168 572178577 /nfs/dbraw/zinc/17/85/77/572178577.db2.gz IFOJCMZFVXIHOT-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923168 572178579 /nfs/dbraw/zinc/17/85/79/572178579.db2.gz IFOJCMZFVXIHOT-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1cc(C[NH2+]CCN)cc(C)c1O 37712713 572178670 /nfs/dbraw/zinc/17/86/70/572178670.db2.gz QOXXSIYPWPCGGR-UHFFFAOYSA-N 2 1 194.278 1.057 10 0 ADAEMP C[C@H]([NH2+]CCN)c1ccc(O)cc1 37712352 572178812 /nfs/dbraw/zinc/17/88/12/572178812.db2.gz NUAMSLNGCJHFEU-QMMMGPOBSA-N 2 1 180.251 1.002 10 0 ADAEMP CCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923221 572178829 /nfs/dbraw/zinc/17/88/29/572178829.db2.gz PFTXZBYOANHWBZ-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923221 572178831 /nfs/dbraw/zinc/17/88/31/572178831.db2.gz PFTXZBYOANHWBZ-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@H]([NH2+]CCN)c1cccs1 37712916 572178905 /nfs/dbraw/zinc/17/89/05/572178905.db2.gz DOYOIIVINLTFIN-JTQLQIEISA-N 2 1 198.335 1.994 10 0 ADAEMP CC(C)[C@H]([NH2+]CC[NH3+])c1cccs1 37712916 572178910 /nfs/dbraw/zinc/17/89/10/572178910.db2.gz DOYOIIVINLTFIN-JTQLQIEISA-N 2 1 198.335 1.994 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[N@@H+]1CCC2(CC2)C1 400031935 572179442 /nfs/dbraw/zinc/17/94/42/572179442.db2.gz HPKAODDXGAEAON-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[N@H+]1CCC2(CC2)C1 400031935 572179447 /nfs/dbraw/zinc/17/94/47/572179447.db2.gz HPKAODDXGAEAON-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CCC[NH2+]Cc1ccc(Cl)o1 37713606 572179512 /nfs/dbraw/zinc/17/95/12/572179512.db2.gz AWJYVTMUYPYTCN-UHFFFAOYSA-N 2 1 188.658 1.371 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[N@@H+]1CCC2(CC2)C1 400031930 572179674 /nfs/dbraw/zinc/17/96/74/572179674.db2.gz HPKAODDXGAEAON-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[N@H+]1CCC2(CC2)C1 400031930 572179677 /nfs/dbraw/zinc/17/96/77/572179677.db2.gz HPKAODDXGAEAON-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCCC[C@H](C)[NH2+]CC[NH3+] 37712664 572179794 /nfs/dbraw/zinc/17/97/94/572179794.db2.gz GGCCBSIPPOWVBJ-VIFPVBQESA-N 2 1 158.289 1.504 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC[C@H]1[NH3+] 19258989 572181306 /nfs/dbraw/zinc/18/13/06/572181306.db2.gz ZXWGAQHHRAVEPW-BDAKNGLRSA-N 2 1 165.240 1.244 10 0 ADAEMP Cc1ccc([C@H](CN)[NH+](C)C)c(C)c1 19259686 572180888 /nfs/dbraw/zinc/18/08/88/572180888.db2.gz BDLCRVFJJXOVJK-LBPRGKRZSA-N 2 1 192.306 1.865 10 0 ADAEMP C[C@@H]([NH3+])C1(CCc2[nH+]ccn2C)CC1 235167269 572181226 /nfs/dbraw/zinc/18/12/26/572181226.db2.gz ZYPZPDMEHLIZEA-SECBINFHSA-N 2 1 193.294 1.480 10 0 ADAEMP CC(C)N(C)[C@@H]1CCCC[C@@H]1[NH3+] 19272548 572181610 /nfs/dbraw/zinc/18/16/10/572181610.db2.gz RMTPHTFZJYLTFX-VHSXEESVSA-N 2 1 170.300 1.597 10 0 ADAEMP Cc1ccc([C@@H](CN)[NH+](C)C)c(C)c1 19259688 572181747 /nfs/dbraw/zinc/18/17/47/572181747.db2.gz BDLCRVFJJXOVJK-GFCCVEGCSA-N 2 1 192.306 1.865 10 0 ADAEMP CC[C@H]([NH2+]CC[NH3+])c1ccc(O)cc1 37712425 572181936 /nfs/dbraw/zinc/18/19/36/572181936.db2.gz CJFFBDGIEZZCEZ-NSHDSACASA-N 2 1 194.278 1.392 10 0 ADAEMP CCC[C@@H]1C[N@@H+](CCC)CCC[NH2+]1 82941580 572181939 /nfs/dbraw/zinc/18/19/39/572181939.db2.gz SOOVPJKJISGLCY-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC(C)N(C)[C@H]1CCCC[C@@H]1[NH3+] 19272550 572182043 /nfs/dbraw/zinc/18/20/43/572182043.db2.gz RMTPHTFZJYLTFX-UWVGGRQHSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@@H](CN)[N@@H+](C)Cc1ccccc1 19263037 572183740 /nfs/dbraw/zinc/18/37/40/572183740.db2.gz ZQDSNEDXBUXQGA-LBPRGKRZSA-N 2 1 192.306 1.856 10 0 ADAEMP Cc1ccc(NCCCC[NH3+])[nH+]c1 37715090 572182109 /nfs/dbraw/zinc/18/21/09/572182109.db2.gz SUNQAHYMSRNWMC-UHFFFAOYSA-N 2 1 179.267 1.541 10 0 ADAEMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(O)cc1 37712426 572182127 /nfs/dbraw/zinc/18/21/27/572182127.db2.gz CJFFBDGIEZZCEZ-LLVKDONJSA-N 2 1 194.278 1.392 10 0 ADAEMP CC[C@H](CN)[N@@H+](C)Cc1ccccc1 19263039 572182173 /nfs/dbraw/zinc/18/21/73/572182173.db2.gz ZQDSNEDXBUXQGA-GFCCVEGCSA-N 2 1 192.306 1.856 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@H]1[NH3+] 19258987 572182447 /nfs/dbraw/zinc/18/24/47/572182447.db2.gz ZXWGAQHHRAVEPW-RKDXNWHRSA-N 2 1 165.240 1.244 10 0 ADAEMP C[C@H](C[NH2+]CC[NH3+])c1ccccc1 37712621 572182529 /nfs/dbraw/zinc/18/25/29/572182529.db2.gz OPXSTIVDAOHYFC-SNVBAGLBSA-N 2 1 178.279 1.338 10 0 ADAEMP CCC[C@H]1C[N@@H+](CCC)CCC[NH2+]1 82941581 572182623 /nfs/dbraw/zinc/18/26/23/572182623.db2.gz SOOVPJKJISGLCY-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H](C[NH2+]CC[NH3+])c1ccccc1 37712620 572182851 /nfs/dbraw/zinc/18/28/51/572182851.db2.gz OPXSTIVDAOHYFC-JTQLQIEISA-N 2 1 178.279 1.338 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC[C@@H]1[NH3+] 19258985 572183799 /nfs/dbraw/zinc/18/37/99/572183799.db2.gz ZXWGAQHHRAVEPW-IUCAKERBSA-N 2 1 165.240 1.244 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H]1[NH3+] 19258982 572183246 /nfs/dbraw/zinc/18/32/46/572183246.db2.gz ZXWGAQHHRAVEPW-DTWKUNHWSA-N 2 1 165.240 1.244 10 0 ADAEMP CSCCCCC[NH2+][C@@H](C)C[NH3+] 235166918 572183606 /nfs/dbraw/zinc/18/36/06/572183606.db2.gz GHZCFQOOVPGLSP-VIFPVBQESA-N 2 1 190.356 1.457 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H](C[NH2+]CC2(C)CC2)C1 235652912 572184290 /nfs/dbraw/zinc/18/42/90/572184290.db2.gz JAJHOANUVYOVQT-WDEREUQCSA-N 2 1 196.338 1.764 10 0 ADAEMP COCCC[N@@H+](CCC[NH3+])C(C)C 37753572 572185354 /nfs/dbraw/zinc/18/53/54/572185354.db2.gz ZTYUEKHIJGLSQF-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H](C[NH3+])C1 19508046 572185816 /nfs/dbraw/zinc/18/58/16/572185816.db2.gz HPHHHIBPONESLA-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@@H](C[NH3+])C1 19508044 572185879 /nfs/dbraw/zinc/18/58/79/572185879.db2.gz HPHHHIBPONESLA-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])CCCOC 37753571 572186190 /nfs/dbraw/zinc/18/61/90/572186190.db2.gz MMBJKAMUDRFNTA-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C 83041268 572186733 /nfs/dbraw/zinc/18/67/33/572186733.db2.gz BKKOCHQCVOPNFE-IRCOFANPSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[N@@H+](C)CCCC(N)=[NH2+] 19518905 572186826 /nfs/dbraw/zinc/18/68/26/572186826.db2.gz LYNJKZVGSSOGFH-UHFFFAOYSA-N 2 1 157.261 1.043 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C 83041264 572187581 /nfs/dbraw/zinc/18/75/81/572187581.db2.gz BKKOCHQCVOPNFE-QCNOEVLYSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CCC(N)=[NH2+])C1 19503546 572187648 /nfs/dbraw/zinc/18/76/48/572187648.db2.gz KQGYQJZTZNZFTL-DTORHVGOSA-N 2 1 183.299 1.290 10 0 ADAEMP C[N@H+](Cc1ccccc1)C(C)(C)C[NH3+] 19511243 572187784 /nfs/dbraw/zinc/18/77/84/572187784.db2.gz KYYJAVJXLSDALC-UHFFFAOYSA-N 2 1 192.306 1.856 10 0 ADAEMP C[N@@H+](Cc1ccccc1)C(C)(C)C[NH3+] 19511243 572187787 /nfs/dbraw/zinc/18/77/87/572187787.db2.gz KYYJAVJXLSDALC-UHFFFAOYSA-N 2 1 192.306 1.856 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C 83041266 572187803 /nfs/dbraw/zinc/18/78/03/572187803.db2.gz BKKOCHQCVOPNFE-DDHJBXDOSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1CC1 83055509 572188433 /nfs/dbraw/zinc/18/84/33/572188433.db2.gz PDOBOXFSVLEJLO-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1CC1 83055501 572188456 /nfs/dbraw/zinc/18/84/56/572188456.db2.gz PDOBOXFSVLEJLO-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]1CCCC[NH2+]1 43494388 572188603 /nfs/dbraw/zinc/18/86/03/572188603.db2.gz FLMLXDKWPGCIII-JTQLQIEISA-N 2 1 193.294 1.588 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 687711631 572188670 /nfs/dbraw/zinc/18/86/70/572188670.db2.gz NUKCHYGHIMFXIE-WRWGMCAJSA-N 2 1 194.322 1.469 10 0 ADAEMP Cc1cc(NCCCC[NH3+])nc(C)[nH+]1 37756801 572189505 /nfs/dbraw/zinc/18/95/05/572189505.db2.gz PHLXVQFNUPHBQJ-UHFFFAOYSA-N 2 1 194.282 1.244 10 0 ADAEMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1CC1 83055507 572189644 /nfs/dbraw/zinc/18/96/44/572189644.db2.gz PDOBOXFSVLEJLO-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@@H+]1CCC[C@@H]2[NH2+]CC(C)(C)[C@H]21 249860134 572189897 /nfs/dbraw/zinc/18/98/97/572189897.db2.gz ABRHFSYAQSRWIZ-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2[NH2+]CC(C)(C)[C@H]21 249860134 572189900 /nfs/dbraw/zinc/18/99/00/572189900.db2.gz ABRHFSYAQSRWIZ-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1CC1 83055503 572190015 /nfs/dbraw/zinc/19/00/15/572190015.db2.gz PDOBOXFSVLEJLO-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]1CCCC[NH2+]1 43494391 572190165 /nfs/dbraw/zinc/19/01/65/572190165.db2.gz FLMLXDKWPGCIII-SNVBAGLBSA-N 2 1 193.294 1.588 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C)N[C@@H](C)C1 249849712 572190220 /nfs/dbraw/zinc/19/02/20/572190220.db2.gz IRZSQRGRVODEFK-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCCN1CC[C@H](C)[NH2+][C@@H](C)C1 249849712 572190223 /nfs/dbraw/zinc/19/02/23/572190223.db2.gz IRZSQRGRVODEFK-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]([NH3+])c1cccc2c1C[N@@H+](C)CC2 214613214 572190433 /nfs/dbraw/zinc/19/04/33/572190433.db2.gz NRIZOXYURKPBIA-VIFPVBQESA-N 2 1 190.290 1.694 10 0 ADAEMP C[C@H]([NH3+])c1ccc2c(c1)CC[N@H+](C)C2 214613351 572190499 /nfs/dbraw/zinc/19/04/99/572190499.db2.gz ITDJCINHKUYZJC-VIFPVBQESA-N 2 1 190.290 1.694 10 0 ADAEMP C[NH2+]CCCc1nc(C)c(C(C)C)[nH]1 37755250 572190532 /nfs/dbraw/zinc/19/05/32/572190532.db2.gz DKXBGJJYISAXGB-UHFFFAOYSA-N 2 1 195.310 1.994 10 0 ADAEMP C[NH2+]CCCc1[nH]c(C)c(C(C)C)[nH+]1 37755250 572190534 /nfs/dbraw/zinc/19/05/34/572190534.db2.gz DKXBGJJYISAXGB-UHFFFAOYSA-N 2 1 195.310 1.994 10 0 ADAEMP C[NH2+]CCCc1[nH]c(C(C)C)c(C)[nH+]1 37755250 572190536 /nfs/dbraw/zinc/19/05/36/572190536.db2.gz DKXBGJJYISAXGB-UHFFFAOYSA-N 2 1 195.310 1.994 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C(C)C)C1CC1 83057363 572190615 /nfs/dbraw/zinc/19/06/15/572190615.db2.gz ZFMDDWQLXTYTLY-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]([NH3+])c1cccc2c1C[N@@H+](C)CC2 214613276 572190830 /nfs/dbraw/zinc/19/08/30/572190830.db2.gz NRIZOXYURKPBIA-SECBINFHSA-N 2 1 190.290 1.694 10 0 ADAEMP CC[C@@H](C1CC1)[N@H+]1CC[C@H](C[NH3+])C1 83057942 572190847 /nfs/dbraw/zinc/19/08/47/572190847.db2.gz VINVWPUZNHXESH-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[C@H]1[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 687711630 572190850 /nfs/dbraw/zinc/19/08/50/572190850.db2.gz NUKCHYGHIMFXIE-NNYUYHANSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C1CC[NH2+]CC1 43501179 572190861 /nfs/dbraw/zinc/19/08/61/572190861.db2.gz GBBPELUFSVFLAN-SECBINFHSA-N 2 1 182.311 1.469 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C)N[C@@H](C)C1 249849709 572190864 /nfs/dbraw/zinc/19/08/64/572190864.db2.gz IRZSQRGRVODEFK-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCCCN1CC[C@@H](C)[NH2+][C@@H](C)C1 249849709 572190867 /nfs/dbraw/zinc/19/08/67/572190867.db2.gz IRZSQRGRVODEFK-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]2[NH2+]CC(C)(C)[C@H]21 249860129 572190917 /nfs/dbraw/zinc/19/09/17/572190917.db2.gz ABRHFSYAQSRWIZ-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2[NH2+]CC(C)(C)[C@H]21 249860129 572190919 /nfs/dbraw/zinc/19/09/19/572190919.db2.gz ABRHFSYAQSRWIZ-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]([NH3+])c1ccc2c(c1)CC[N@H+](C)C2 214613405 572191297 /nfs/dbraw/zinc/19/12/97/572191297.db2.gz ITDJCINHKUYZJC-SECBINFHSA-N 2 1 190.290 1.694 10 0 ADAEMP CCC[NH2+][C@](CC)(C[NH3+])C1CC1 83057361 572191352 /nfs/dbraw/zinc/19/13/52/572191352.db2.gz WDDUPXZLPPWKKY-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 687711632 572191373 /nfs/dbraw/zinc/19/13/73/572191373.db2.gz NUKCHYGHIMFXIE-YFKTTZPYSA-N 2 1 194.322 1.469 10 0 ADAEMP CCCC[N@@H+]1C[C@@H](CC)C[C@@H](N)C1 249849821 572191541 /nfs/dbraw/zinc/19/15/41/572191541.db2.gz IXHICDOFJISIKB-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCN1C[C@@H](CC)C[C@@H]([NH3+])C1 249849821 572191544 /nfs/dbraw/zinc/19/15/44/572191544.db2.gz IXHICDOFJISIKB-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)[NH3+] 235178509 572191757 /nfs/dbraw/zinc/19/17/57/572191757.db2.gz UJGFQQYVXUHSJG-RITPCOANSA-N 2 1 184.205 1.264 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 83057935 572191807 /nfs/dbraw/zinc/19/18/07/572191807.db2.gz IOVZPLIXMWNZMD-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@](C[NH3+])([NH2+]C(C)C)C1CC1 83057364 572191966 /nfs/dbraw/zinc/19/19/66/572191966.db2.gz ZFMDDWQLXTYTLY-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C1CC1)C1CC1 83057367 572192023 /nfs/dbraw/zinc/19/20/23/572192023.db2.gz QCDZOFCRSALGCQ-SNVBAGLBSA-N 2 1 168.284 1.256 10 0 ADAEMP CC[NH2+][C@@](CC)(C[NH3+])C1CC1 83057357 572192151 /nfs/dbraw/zinc/19/21/51/572192151.db2.gz DVQCJTBEZUAUFU-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H](C1CC1)[N@H+]1CC[C@H](C[NH2+]C)C1 83057971 572192194 /nfs/dbraw/zinc/19/21/94/572192194.db2.gz FNHJICZHVWTYKV-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1CC[C@H](C[NH2+]C)C1 83057972 572192276 /nfs/dbraw/zinc/19/22/76/572192276.db2.gz FNHJICZHVWTYKV-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@](CC)(C[NH3+])C1CC1 83057355 572192316 /nfs/dbraw/zinc/19/23/16/572192316.db2.gz DVQCJTBEZUAUFU-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CCC[N@@H+]1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 249871981 572192576 /nfs/dbraw/zinc/19/25/76/572192576.db2.gz CVRONBDKCXDBMX-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 249871981 572192578 /nfs/dbraw/zinc/19/25/78/572192578.db2.gz CVRONBDKCXDBMX-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CSCC[C@H]1[NH3+] 249892730 572192586 /nfs/dbraw/zinc/19/25/86/572192586.db2.gz DTMIBNMZCFOZJL-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1CC[C@H](C[NH3+])C1 83057944 572192644 /nfs/dbraw/zinc/19/26/44/572192644.db2.gz VINVWPUZNHXESH-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@](C[NH3+])([NH2+]C1CC1)C1CC1 83057369 572192684 /nfs/dbraw/zinc/19/26/84/572192684.db2.gz QCDZOFCRSALGCQ-JTQLQIEISA-N 2 1 168.284 1.256 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](C[NH3+])C1CC1 397244397 572193160 /nfs/dbraw/zinc/19/31/60/572193160.db2.gz NEDQHZOITKBQAX-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CCc2cccc(CC[NH3+])c2C1 214613554 572193949 /nfs/dbraw/zinc/19/39/49/572193949.db2.gz ZQMZFNVMEIYIBD-UHFFFAOYSA-N 2 1 190.290 1.176 10 0 ADAEMP CC[N@H+]1Cc2ccc(CC[NH3+])cc2C1 214613478 572193235 /nfs/dbraw/zinc/19/32/35/572193235.db2.gz SCSWYXAPLUUBGG-UHFFFAOYSA-N 2 1 190.290 1.523 10 0 ADAEMP CC[C@@H](C1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 83057934 572193395 /nfs/dbraw/zinc/19/33/95/572193395.db2.gz IOVZPLIXMWNZMD-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@@H](C[NH3+])C1 249901588 572193475 /nfs/dbraw/zinc/19/34/75/572193475.db2.gz GLAMNSAVJCZNDK-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1CC(C)(C)N 19685455 572193691 /nfs/dbraw/zinc/19/36/91/572193691.db2.gz SQWIZGBURSLZHC-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@@H](C)C[NH3+] 43514007 572194025 /nfs/dbraw/zinc/19/40/25/572194025.db2.gz ZHFQWWOMZIVWGV-QMMMGPOBSA-N 2 1 167.256 1.526 10 0 ADAEMP CC[C@H]1C[N@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093125 572194176 /nfs/dbraw/zinc/19/41/76/572194176.db2.gz OIDFWMVJWUVDBM-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C)NC[C@H]1C 249885901 572195024 /nfs/dbraw/zinc/19/50/24/572195024.db2.gz QAYKOQNQFBOSOM-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1CC(C)(C)N 19685454 572194526 /nfs/dbraw/zinc/19/45/26/572194526.db2.gz SQWIZGBURSLZHC-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1C[C@H]1[N@H+]1CCC[NH2+][C@H](C2CC2)C1 83093165 572194743 /nfs/dbraw/zinc/19/47/43/572194743.db2.gz KPULZJBMHMUICI-ZMLRMANQSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CSCC[C@H]1[NH3+] 249892729 572195094 /nfs/dbraw/zinc/19/50/94/572195094.db2.gz DTMIBNMZCFOZJL-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CC[C@@H](C[NH3+])C1 249901591 572195169 /nfs/dbraw/zinc/19/51/69/572195169.db2.gz GLAMNSAVJCZNDK-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@H](C)C[NH3+] 43514008 572195557 /nfs/dbraw/zinc/19/55/57/572195557.db2.gz ZHFQWWOMZIVWGV-MRVPVSSYSA-N 2 1 167.256 1.526 10 0 ADAEMP C[C@H]1C[C@@H]1[N@H+]1CCC[NH2+][C@H](C2CC2)C1 83093161 572195754 /nfs/dbraw/zinc/19/57/54/572195754.db2.gz KPULZJBMHMUICI-DLOVCJGASA-N 2 1 194.322 1.469 10 0 ADAEMP C[NH+](C)CCC[NH2+]CCC(F)(F)F 70205435 572196016 /nfs/dbraw/zinc/19/60/16/572196016.db2.gz JPHBPJNJCKAKMB-UHFFFAOYSA-N 2 1 198.232 1.480 10 0 ADAEMP CCC[N@H+]1CCC[C@H](C[C@H](C)[NH3+])C1 249881783 572196352 /nfs/dbraw/zinc/19/63/52/572196352.db2.gz FUXZJPHMIGXCCT-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[C@H](C)[NH3+])C1 249946072 572196677 /nfs/dbraw/zinc/19/66/77/572196677.db2.gz HNHRJKSEWCQVKW-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43544095 572197053 /nfs/dbraw/zinc/19/70/53/572197053.db2.gz JNGNZCFAXZSCFC-AEJSXWLSSA-N 2 1 197.326 1.679 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1C[C@@H](C)C[C@@H](C)C1 43544095 572197054 /nfs/dbraw/zinc/19/70/54/572197054.db2.gz JNGNZCFAXZSCFC-AEJSXWLSSA-N 2 1 197.326 1.679 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)CCCC(N)=[NH2+] 38718262 572197061 /nfs/dbraw/zinc/19/70/61/572197061.db2.gz GPNHFHWDHGPMKT-SECBINFHSA-N 2 1 185.315 1.679 10 0 ADAEMP CCC[N@H+]1CCC[C@@H](C[C@H](C)[NH3+])C1 249881782 572197069 /nfs/dbraw/zinc/19/70/69/572197069.db2.gz FUXZJPHMIGXCCT-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43544096 572197133 /nfs/dbraw/zinc/19/71/33/572197133.db2.gz JNGNZCFAXZSCFC-KXUCPTDWSA-N 2 1 197.326 1.679 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1C[C@@H](C)C[C@@H](C)C1 43544096 572197136 /nfs/dbraw/zinc/19/71/36/572197136.db2.gz JNGNZCFAXZSCFC-KXUCPTDWSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@]1(C2CC2)[C@@H]([NH3+])CC[N@H+]1C1CC1 711935466 572197577 /nfs/dbraw/zinc/19/75/77/572197577.db2.gz RGPDNBBGFYDGAK-QWRGUYRKSA-N 2 1 180.295 1.351 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)CCC(N)=[NH2+] 38718259 572197648 /nfs/dbraw/zinc/19/76/48/572197648.db2.gz ANYBMPBVVAXVRM-QMMMGPOBSA-N 2 1 171.288 1.289 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 38718270 572197849 /nfs/dbraw/zinc/19/78/49/572197849.db2.gz QGUGFADKWOSDCM-RKDXNWHRSA-N 2 1 185.315 1.535 10 0 ADAEMP C[C@]1(C2CC2)[C@H]([NH3+])CC[N@H+]1C1CC1 711935464 572197909 /nfs/dbraw/zinc/19/79/09/572197909.db2.gz RGPDNBBGFYDGAK-MNOVXSKESA-N 2 1 180.295 1.351 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[C@H](C)[NH3+])C1 249946076 572198063 /nfs/dbraw/zinc/19/80/63/572198063.db2.gz HNHRJKSEWCQVKW-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@]1(C2CC2)[C@H]([NH3+])CC[N@H+]1C1CC1 711935460 572199005 /nfs/dbraw/zinc/19/90/05/572199005.db2.gz RGPDNBBGFYDGAK-GHMZBOCLSA-N 2 1 180.295 1.351 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 38718273 572198346 /nfs/dbraw/zinc/19/83/46/572198346.db2.gz QGUGFADKWOSDCM-BDAKNGLRSA-N 2 1 185.315 1.535 10 0 ADAEMP CCC[N@@H+]1C[C@H](C)C[C@@H]([NH2+]CC)C1 249947295 572198355 /nfs/dbraw/zinc/19/83/55/572198355.db2.gz HUBFZPKBIGVODM-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1C[C@H](C)C[C@@H]([NH2+]CC)C1 249947295 572198358 /nfs/dbraw/zinc/19/83/58/572198358.db2.gz HUBFZPKBIGVODM-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)CCC(N)=[NH2+] 38718256 572198445 /nfs/dbraw/zinc/19/84/45/572198445.db2.gz ANYBMPBVVAXVRM-MRVPVSSYSA-N 2 1 171.288 1.289 10 0 ADAEMP C[C@@]1(C2CC2)[C@@H]([NH3+])CC[N@H+]1C1CC1 711935470 572198496 /nfs/dbraw/zinc/19/84/96/572198496.db2.gz RGPDNBBGFYDGAK-WDEREUQCSA-N 2 1 180.295 1.351 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)CCCC(N)=[NH2+] 38718267 572198972 /nfs/dbraw/zinc/19/89/72/572198972.db2.gz GPNHFHWDHGPMKT-VIFPVBQESA-N 2 1 185.315 1.679 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](C2CC2)[C@@]12CCSC2 711937728 572199797 /nfs/dbraw/zinc/19/97/97/572199797.db2.gz WNMDWIGQPLYMRF-VHSXEESVSA-N 2 1 198.335 1.058 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](C2CC2)[C@@]12CCSC2 711937728 572199798 /nfs/dbraw/zinc/19/97/98/572199798.db2.gz WNMDWIGQPLYMRF-VHSXEESVSA-N 2 1 198.335 1.058 10 0 ADAEMP Cc1ccc[nH+]c1N1CC[C@H](C[NH3+])C1 19815182 572200140 /nfs/dbraw/zinc/20/01/40/572200140.db2.gz QULDMWHMHMNBFG-SNVBAGLBSA-N 2 1 191.278 1.175 10 0 ADAEMP CSC1(C[N@H+](C)C[C@@H](C)[NH3+])CC1 393350550 572200177 /nfs/dbraw/zinc/20/01/77/572200177.db2.gz RXDOHXVHGXONGU-MRVPVSSYSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC1(C[N@@H+](C)C[C@@H](C)[NH3+])CC1 393350550 572200181 /nfs/dbraw/zinc/20/01/81/572200181.db2.gz RXDOHXVHGXONGU-MRVPVSSYSA-N 2 1 188.340 1.161 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C2CC2)[C@]12CCSC2 711937731 572200198 /nfs/dbraw/zinc/20/01/98/572200198.db2.gz WNMDWIGQPLYMRF-ZJUUUORDSA-N 2 1 198.335 1.058 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C2CC2)[C@]12CCSC2 711937731 572200201 /nfs/dbraw/zinc/20/02/01/572200201.db2.gz WNMDWIGQPLYMRF-ZJUUUORDSA-N 2 1 198.335 1.058 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 249966739 572200675 /nfs/dbraw/zinc/20/06/75/572200675.db2.gz KIMRGAVPSJCKGC-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 249966739 572200677 /nfs/dbraw/zinc/20/06/77/572200677.db2.gz KIMRGAVPSJCKGC-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP Cc1c[nH]c([C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 39132709 572200756 /nfs/dbraw/zinc/20/07/56/572200756.db2.gz OJCHURBVVOPIIN-BDAKNGLRSA-N 2 1 179.267 1.703 10 0 ADAEMP CCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 249966742 572201041 /nfs/dbraw/zinc/20/10/41/572201041.db2.gz KIMRGAVPSJCKGC-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 249966742 572201044 /nfs/dbraw/zinc/20/10/44/572201044.db2.gz KIMRGAVPSJCKGC-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP Cc1c[nH]c([C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 39132713 572201127 /nfs/dbraw/zinc/20/11/27/572201127.db2.gz OJCHURBVVOPIIN-DTWKUNHWSA-N 2 1 179.267 1.703 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@H](C)C(N)=[NH2+] 39137131 572201286 /nfs/dbraw/zinc/20/12/86/572201286.db2.gz QZOCBCYJKKEDDH-SECBINFHSA-N 2 1 185.315 1.536 10 0 ADAEMP Cc1c[nH]c([C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 39132712 572201580 /nfs/dbraw/zinc/20/15/80/572201580.db2.gz OJCHURBVVOPIIN-RKDXNWHRSA-N 2 1 179.267 1.703 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 39137054 572201593 /nfs/dbraw/zinc/20/15/93/572201593.db2.gz AKVMBOIFHHBBMT-MRVPVSSYSA-N 2 1 171.288 1.146 10 0 ADAEMP Cc1ccc[nH+]c1N1CC[C@@H](C[NH3+])C1 19815180 572201661 /nfs/dbraw/zinc/20/16/61/572201661.db2.gz QULDMWHMHMNBFG-JTQLQIEISA-N 2 1 191.278 1.175 10 0 ADAEMP CSC1(C[N@H+](C)C[C@H](C)[NH3+])CC1 393350553 572201769 /nfs/dbraw/zinc/20/17/69/572201769.db2.gz RXDOHXVHGXONGU-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC1(C[N@@H+](C)C[C@H](C)[NH3+])CC1 393350553 572201772 /nfs/dbraw/zinc/20/17/72/572201772.db2.gz RXDOHXVHGXONGU-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CCC[N@H+]1CC[C@H]2[NH2+]CC(C)(C)[C@H]2C1 249964194 572202230 /nfs/dbraw/zinc/20/22/30/572202230.db2.gz JZALAMAIBCURIF-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@@H]2[NH2+]CC(C)(C)[C@H]2C1 249964190 572202366 /nfs/dbraw/zinc/20/23/66/572202366.db2.gz JZALAMAIBCURIF-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)=CC[N@H+](C)C1CC[NH2+]CC1 36300567 572204753 /nfs/dbraw/zinc/20/47/53/572204753.db2.gz HWLNNZKCESOFJO-UHFFFAOYSA-N 2 1 182.311 1.636 10 0 ADAEMP Cc1c[nH]c([C@H]2CCC[C@H]([NH3+])C2)[nH+]1 39132710 572202516 /nfs/dbraw/zinc/20/25/16/572202516.db2.gz OJCHURBVVOPIIN-IUCAKERBSA-N 2 1 179.267 1.703 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C(C(C)C)C(C)C 393352097 572203955 /nfs/dbraw/zinc/20/39/55/572203955.db2.gz YPFMNYNQBZLNIG-VIFPVBQESA-N 2 1 172.316 1.461 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C(C(C)C)C(C)C 393352096 572204217 /nfs/dbraw/zinc/20/42/17/572204217.db2.gz YPFMNYNQBZLNIG-SECBINFHSA-N 2 1 172.316 1.461 10 0 ADAEMP CCC[NH2+]C[C@@H]([NH3+])Cc1ccccc1 40397948 572206513 /nfs/dbraw/zinc/20/65/13/572206513.db2.gz YSTKSBYOLJTRNM-LBPRGKRZSA-N 2 1 192.306 1.556 10 0 ADAEMP CCC[C@H]1[C@@H]([NH2+]C)CC[N@H+]1C(C)C 711953319 572206465 /nfs/dbraw/zinc/20/64/65/572206465.db2.gz SMUDYSAGVUZZBZ-QWRGUYRKSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@H]1C[C@H](n2cc[nH+]c2N)CC[N@H+]1C 235667588 572206636 /nfs/dbraw/zinc/20/66/36/572206636.db2.gz VQPHODWFQRBJJK-DTWKUNHWSA-N 2 1 194.282 1.121 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@H]1C 83392708 572208137 /nfs/dbraw/zinc/20/81/37/572208137.db2.gz TZKSTOMVEVQQHX-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 83392710 572208507 /nfs/dbraw/zinc/20/85/07/572208507.db2.gz TZKSTOMVEVQQHX-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[C@@H]1[C@H]([NH2+]C)CC[N@H+]1C(C)C 711953314 572208764 /nfs/dbraw/zinc/20/87/64/572208764.db2.gz SMUDYSAGVUZZBZ-GHMZBOCLSA-N 2 1 184.327 1.857 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@H](C)CC[NH3+] 41042594 572209908 /nfs/dbraw/zinc/20/99/08/572209908.db2.gz VOISCUXDVBPCHH-SECBINFHSA-N 2 1 172.316 1.844 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC2(CC2)C1 400018656 572210014 /nfs/dbraw/zinc/21/00/14/572210014.db2.gz BGLYEINCTJLFHE-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)CC[NH3+] 41042536 572210072 /nfs/dbraw/zinc/21/00/72/572210072.db2.gz QPDMIZVJHLTVPO-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)CC[NH3+] 41042592 572210090 /nfs/dbraw/zinc/21/00/90/572210090.db2.gz YKWJGGQNBMCAFR-UWVGGRQHSA-N 2 1 172.316 1.700 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CC[C@H](C)C1 40718414 572210308 /nfs/dbraw/zinc/21/03/08/572210308.db2.gz DTRWKDKEGBSDTO-DTWKUNHWSA-N 2 1 183.299 1.433 10 0 ADAEMP CCC[N@H+](C1CC1)[C@@H](C)CC[NH3+] 41042545 572210323 /nfs/dbraw/zinc/21/03/23/572210323.db2.gz CRDMYYQQANRQRU-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC(CC)(CC)[NH2+]CC[NH2+]C 83402342 572210326 /nfs/dbraw/zinc/21/03/26/572210326.db2.gz LVMQFNAZTMHOCB-UHFFFAOYSA-N 2 1 172.316 1.764 10 0 ADAEMP Cc1ccc(C[N@@H+](C)[C@H](C)CC[NH3+])o1 41042572 572210339 /nfs/dbraw/zinc/21/03/39/572210339.db2.gz YPUMWXXDHAJGCA-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1ccc(C[N@H+](C)[C@H](C)CC[NH3+])o1 41042572 572210342 /nfs/dbraw/zinc/21/03/42/572210342.db2.gz YPUMWXXDHAJGCA-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H](C)CC[NH3+] 41042538 572210413 /nfs/dbraw/zinc/21/04/13/572210413.db2.gz DLVMQFHYTZVKBW-SECBINFHSA-N 2 1 158.289 1.454 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725321 572210437 /nfs/dbraw/zinc/21/04/37/572210437.db2.gz ZKEMYBZVUWFQQD-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@H+](C1CC1)[C@H](C)CC[NH3+] 41042546 572210502 /nfs/dbraw/zinc/21/05/02/572210502.db2.gz CRDMYYQQANRQRU-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725323 572210816 /nfs/dbraw/zinc/21/08/16/572210816.db2.gz ZKEMYBZVUWFQQD-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)[C@@H](C)CC[NH3+] 41042555 572211043 /nfs/dbraw/zinc/21/10/43/572211043.db2.gz AXJUKTOGHRUQMS-ZJUUUORDSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)[C@@H](C)C1CC1 41042589 572211275 /nfs/dbraw/zinc/21/12/75/572211275.db2.gz LTTMRECKXYBRHH-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@@H+](CC1CC1)[C@@H](C)CC[NH3+] 41042569 572211182 /nfs/dbraw/zinc/21/11/82/572211182.db2.gz KZQZURMGCJGBNU-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)[C@H](C)CC[NH3+] 41042590 572211390 /nfs/dbraw/zinc/21/13/90/572211390.db2.gz LTTMRECKXYBRHH-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccccc2)C1 113100285 572211492 /nfs/dbraw/zinc/21/14/92/572211492.db2.gz JLERGBIKTJAXIA-NEPJUHHUSA-N 2 1 190.290 1.638 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H](C)CC[NH3+] 41042550 572211517 /nfs/dbraw/zinc/21/15/17/572211517.db2.gz AQHSPIYIJMBYPP-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP CCCC[N@@H+](CC)[C@H](C)CC[NH3+] 41042514 572211577 /nfs/dbraw/zinc/21/15/77/572211577.db2.gz QEHZTAAEHSOFGF-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CC[C@H](C)C1 40718413 572211586 /nfs/dbraw/zinc/21/15/86/572211586.db2.gz DTRWKDKEGBSDTO-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[N@H+](C1CCCC1)[C@@H](C)CC[NH3+] 41042575 572211811 /nfs/dbraw/zinc/21/18/11/572211811.db2.gz LMMFPLDHCUHZRD-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)Cc1ccncc1 41042586 572211833 /nfs/dbraw/zinc/21/18/33/572211833.db2.gz FOJLFVOHOYFHAS-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)CC[NH3+] 41042541 572211857 /nfs/dbraw/zinc/21/18/57/572211857.db2.gz NXFDBTOSQJXKDM-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H](C)CC[NH3+] 41042549 572211887 /nfs/dbraw/zinc/21/18/87/572211887.db2.gz AQHSPIYIJMBYPP-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP CCCC[N@@H+](CC)[C@@H](C)CC[NH3+] 41042513 572211922 /nfs/dbraw/zinc/21/19/22/572211922.db2.gz QEHZTAAEHSOFGF-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@@H](C)CC[NH3+] 41042593 572211969 /nfs/dbraw/zinc/21/19/69/572211969.db2.gz VOISCUXDVBPCHH-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP Cc1ccc(C[N@@H+](C)[C@@H](C)CC[NH3+])o1 41042571 572212010 /nfs/dbraw/zinc/21/20/10/572212010.db2.gz YPUMWXXDHAJGCA-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1ccc(C[N@H+](C)[C@@H](C)CC[NH3+])o1 41042571 572212014 /nfs/dbraw/zinc/21/20/14/572212014.db2.gz YPUMWXXDHAJGCA-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725277 572212069 /nfs/dbraw/zinc/21/20/69/572212069.db2.gz PUQWLDRKAUANGF-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@H+]1CC[C@H](C)C1 40725349 572212130 /nfs/dbraw/zinc/21/21/30/572212130.db2.gz IHSQQILAASPEQD-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC)[C@H](C)CC[NH3+] 41042542 572212366 /nfs/dbraw/zinc/21/23/66/572212366.db2.gz NXFDBTOSQJXKDM-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CCC[N@@H+](CC1CC1)[C@H](C)CC[NH3+] 41042570 572212374 /nfs/dbraw/zinc/21/23/74/572212374.db2.gz KZQZURMGCJGBNU-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@H+]1CC[C@H](C)C1 40725351 572212448 /nfs/dbraw/zinc/21/24/48/572212448.db2.gz IHSQQILAASPEQD-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)[C@@H](C)CC[NH3+] 41042556 572212465 /nfs/dbraw/zinc/21/24/65/572212465.db2.gz AXJUKTOGHRUQMS-UWVGGRQHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725281 572212470 /nfs/dbraw/zinc/21/24/70/572212470.db2.gz PUQWLDRKAUANGF-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725347 572212479 /nfs/dbraw/zinc/21/24/79/572212479.db2.gz MDPOFZBVUHQLKW-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+](C)Cc1ccccn1 41042588 572212518 /nfs/dbraw/zinc/21/25/18/572212518.db2.gz QMLCSCCABLRVFX-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)Cc1ccccn1 41042588 572212519 /nfs/dbraw/zinc/21/25/19/572212519.db2.gz QMLCSCCABLRVFX-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP CCCCC[N@@H+](C)[C@H](C)CC[NH3+] 41042558 572212523 /nfs/dbraw/zinc/21/25/23/572212523.db2.gz TUCPHCGSWFSBOO-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@@H](C)CC[NH3+] 41042543 572212548 /nfs/dbraw/zinc/21/25/48/572212548.db2.gz QZBZLIHYMZVVIL-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C)CC[NH3+] 41042591 572212676 /nfs/dbraw/zinc/21/26/76/572212676.db2.gz YKWJGGQNBMCAFR-VHSXEESVSA-N 2 1 172.316 1.700 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H](C)CC[NH3+] 41042537 572212835 /nfs/dbraw/zinc/21/28/35/572212835.db2.gz DLVMQFHYTZVKBW-VIFPVBQESA-N 2 1 158.289 1.454 10 0 ADAEMP CCCCC[N@@H+](C)[C@@H](C)CC[NH3+] 41042557 572212886 /nfs/dbraw/zinc/21/28/86/572212886.db2.gz TUCPHCGSWFSBOO-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)CC[NH3+] 41042535 572212987 /nfs/dbraw/zinc/21/29/87/572212987.db2.gz QPDMIZVJHLTVPO-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CC[C@H](C)C1 40717029 572213028 /nfs/dbraw/zinc/21/30/28/572213028.db2.gz ZMBXKCQXPHVIAR-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@H](C)CC[NH3+] 41042554 572213110 /nfs/dbraw/zinc/21/31/10/572213110.db2.gz KINMEMBYZMEHNR-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+](C)Cc1ccccn1 41042587 572213229 /nfs/dbraw/zinc/21/32/29/572213229.db2.gz QMLCSCCABLRVFX-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)Cc1ccccn1 41042587 572213231 /nfs/dbraw/zinc/21/32/31/572213231.db2.gz QMLCSCCABLRVFX-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CC[C@H](C)C1 40717028 572213270 /nfs/dbraw/zinc/21/32/70/572213270.db2.gz ZMBXKCQXPHVIAR-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)[C@@H](C)CC[NH3+] 41042596 572213332 /nfs/dbraw/zinc/21/33/32/572213332.db2.gz DUJRYFQSCZZDCW-UWVGGRQHSA-N 2 1 172.316 1.844 10 0 ADAEMP COCCC[C@@H]([NH3+])c1c[nH+]ccc1N 83439520 572214651 /nfs/dbraw/zinc/21/46/51/572214651.db2.gz HHZGCONMAQRECR-SECBINFHSA-N 2 1 195.266 1.090 10 0 ADAEMP COCCC[C@H]([NH3+])c1c[nH+]ccc1N 83439517 572215652 /nfs/dbraw/zinc/21/56/52/572215652.db2.gz HHZGCONMAQRECR-VIFPVBQESA-N 2 1 195.266 1.090 10 0 ADAEMP CN(C)CC[C@@H]([NH3+])c1cccs1 20274130 572216005 /nfs/dbraw/zinc/21/60/05/572216005.db2.gz PPOFJNHBBGUKLF-MRVPVSSYSA-N 2 1 184.308 1.700 10 0 ADAEMP CCC[N@H+]1CCC[C@@H](CC[NH3+])CC1 83423979 572216754 /nfs/dbraw/zinc/21/67/54/572216754.db2.gz BXHHQAKOOWEECY-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CCCC[NH2+][C@H]1CCC[N@@H+](C)CC1 83417772 572216942 /nfs/dbraw/zinc/21/69/42/572216942.db2.gz NUMFJOOBUXBFSN-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[NH2+][C@@H]1CCC[N@@H+](CC)CC1 83421265 572216991 /nfs/dbraw/zinc/21/69/91/572216991.db2.gz QVAZKWAUADPREL-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC(C)[N@H+](C)CC[C@H](C)[NH3+] 20429205 572217073 /nfs/dbraw/zinc/21/70/73/572217073.db2.gz ZPGBPEBNZJBAPM-QMMMGPOBSA-N 2 1 144.262 1.064 10 0 ADAEMP [NH3+][C@H](CC1CC1)C[N@@H+]1CCC2(CC2)C1 400038457 572217308 /nfs/dbraw/zinc/21/73/08/572217308.db2.gz LDCOUISGHXIQGD-LLVKDONJSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+][C@H](CC1CC1)C[N@H+]1CCC2(CC2)C1 400038457 572217313 /nfs/dbraw/zinc/21/73/13/572217313.db2.gz LDCOUISGHXIQGD-LLVKDONJSA-N 2 1 194.322 1.600 10 0 ADAEMP CCC[N@H+]1CCC[C@H](CC[NH3+])CC1 83423978 572217402 /nfs/dbraw/zinc/21/74/02/572217402.db2.gz BXHHQAKOOWEECY-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CC[N@H+]1CCC[C@H]([NH2+]CC2CC2)CC1 83421469 572217605 /nfs/dbraw/zinc/21/76/05/572217605.db2.gz VCBNGSXHQDGJLC-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([NH2+]CC2CC2)CC1 83421472 572217869 /nfs/dbraw/zinc/21/78/69/572217869.db2.gz VCBNGSXHQDGJLC-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]C)[C@@]1(C)CC1CC1 711974385 572217898 /nfs/dbraw/zinc/21/78/98/572217898.db2.gz XAXVJWSBEZRWGX-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417771 572217980 /nfs/dbraw/zinc/21/79/80/572217980.db2.gz NUMFJOOBUXBFSN-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@H]1CC[N@H+](C2(C[NH3+])CC2)C1 234106006 572218635 /nfs/dbraw/zinc/21/86/35/572218635.db2.gz RQEZTJPPBDXSGW-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 20429187 572218982 /nfs/dbraw/zinc/21/89/82/572218982.db2.gz BNJBPLNHRPWIBO-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]([NH2+]CC)CC1 83421317 572219354 /nfs/dbraw/zinc/21/93/54/572219354.db2.gz JJKKFBZIKHXNNP-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[NH2+][C@H]1CCC[N@@H+](CC)CC1 83421266 572219710 /nfs/dbraw/zinc/21/97/10/572219710.db2.gz QVAZKWAUADPREL-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CC[C@@H](C)[NH3+])C1 20429186 572219728 /nfs/dbraw/zinc/21/97/28/572219728.db2.gz BNJBPLNHRPWIBO-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1CC[C@@H](C)[NH3+] 20429196 572219834 /nfs/dbraw/zinc/21/98/34/572219834.db2.gz FKJUBXOAFFYPRZ-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCCC[C@@H]1C 20429197 572220060 /nfs/dbraw/zinc/22/00/60/572220060.db2.gz FKJUBXOAFFYPRZ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 36787486 572220437 /nfs/dbraw/zinc/22/04/37/572220437.db2.gz UIJWBCHKDSEMAB-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@H+](C)CC[C@@H](C)[NH3+] 20429204 572220480 /nfs/dbraw/zinc/22/04/80/572220480.db2.gz ZPGBPEBNZJBAPM-MRVPVSSYSA-N 2 1 144.262 1.064 10 0 ADAEMP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC[NH3+])C1 235673573 572220501 /nfs/dbraw/zinc/22/05/01/572220501.db2.gz RPWKHZYUXRZIGM-MWLCHTKSSA-N 2 1 182.311 1.527 10 0 ADAEMP CCC[N@@H+](CC[C@@H](C)[NH2+]C)C1CC1 43885502 572220948 /nfs/dbraw/zinc/22/09/48/572220948.db2.gz FXGUKIJOVJLDBW-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])CC1 83435564 572221180 /nfs/dbraw/zinc/22/11/80/572221180.db2.gz ZSNUTMYCPZRQIT-GHMZBOCLSA-N 2 1 184.327 1.894 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1cccnc1 36770854 572221197 /nfs/dbraw/zinc/22/11/97/572221197.db2.gz TTZJUCZACAMSON-UHFFFAOYSA-N 2 1 193.294 1.252 10 0 ADAEMP CC[C@@H]1CCC[C@H]([NH2+]CC[NH3+])CC1 83435562 572221329 /nfs/dbraw/zinc/22/13/29/572221329.db2.gz ZSNUTMYCPZRQIT-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP CCC(=[NH2+])N1CCC[N@H+](C)C[C@@H]1CC 234107377 572221438 /nfs/dbraw/zinc/22/14/38/572221438.db2.gz YOLIGDGPZYFBLC-JTQLQIEISA-N 2 1 197.326 1.790 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1[N@H+](C)C1CC1 43822491 572221737 /nfs/dbraw/zinc/22/17/37/572221737.db2.gz UYTPGGKHJZTMRV-MVWJERBFSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1[N@@H+](C)C1CC1 43822491 572221738 /nfs/dbraw/zinc/22/17/38/572221738.db2.gz UYTPGGKHJZTMRV-MVWJERBFSA-N 2 1 196.338 1.857 10 0 ADAEMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC 43816967 572221786 /nfs/dbraw/zinc/22/17/86/572221786.db2.gz APPUXGCRWJNYLP-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC 43816967 572221787 /nfs/dbraw/zinc/22/17/87/572221787.db2.gz APPUXGCRWJNYLP-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1[N@H+](C)C1CC1 43822488 572221960 /nfs/dbraw/zinc/22/19/60/572221960.db2.gz UYTPGGKHJZTMRV-YUSALJHKSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1[N@@H+](C)C1CC1 43822488 572221965 /nfs/dbraw/zinc/22/19/65/572221965.db2.gz UYTPGGKHJZTMRV-YUSALJHKSA-N 2 1 196.338 1.857 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1ccncc1 36771907 572221988 /nfs/dbraw/zinc/22/19/88/572221988.db2.gz NWYFWSYBYDFESJ-UHFFFAOYSA-N 2 1 193.294 1.252 10 0 ADAEMP CC[C@H]1CCC[C@@H]([NH2+]CC[NH3+])CC1 83435565 572222047 /nfs/dbraw/zinc/22/20/47/572222047.db2.gz ZSNUTMYCPZRQIT-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@H]1CCC[C@H]([NH2+]CC[NH3+])CC1 83435563 572222074 /nfs/dbraw/zinc/22/20/74/572222074.db2.gz ZSNUTMYCPZRQIT-QWRGUYRKSA-N 2 1 184.327 1.894 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1C1CCCCC1 20440749 572222112 /nfs/dbraw/zinc/22/21/12/572222112.db2.gz GAYXVJVBNFQOEH-UHFFFAOYSA-N 2 1 193.294 1.890 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 36787485 572222340 /nfs/dbraw/zinc/22/23/40/572222340.db2.gz UIJWBCHKDSEMAB-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1C1CCCC1 20440753 572222803 /nfs/dbraw/zinc/22/28/03/572222803.db2.gz DKMUSADGXVOTNG-UHFFFAOYSA-N 2 1 179.267 1.499 10 0 ADAEMP C[C@H]1CC[NH2+][C@H](C[NH2+]CC2(C)CC2)C1 235672909 572222867 /nfs/dbraw/zinc/22/28/67/572222867.db2.gz JAJHOANUVYOVQT-QWRGUYRKSA-N 2 1 196.338 1.764 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1ccccn1 36777114 572222873 /nfs/dbraw/zinc/22/28/73/572222873.db2.gz GTPSADOVARMAIQ-UHFFFAOYSA-N 2 1 193.294 1.252 10 0 ADAEMP CCCC[C@@H](C)C[NH2+]CC[NH3+] 300985262 572224356 /nfs/dbraw/zinc/22/43/56/572224356.db2.gz UYFOJQYHTNWJRN-SECBINFHSA-N 2 1 158.289 1.361 10 0 ADAEMP C[C@H]1C[C@@H](Nc2[nH]cc[nH+]2)CC[N@H+]1C 235676369 572224399 /nfs/dbraw/zinc/22/43/99/572224399.db2.gz YDVQGQQZIPLBKG-IUCAKERBSA-N 2 1 194.282 1.304 10 0 ADAEMP FCCCC[N@@H+]1CCC[NH2+]CC1 67799849 572224433 /nfs/dbraw/zinc/22/44/33/572224433.db2.gz RWVZGBMRTODIAM-UHFFFAOYSA-N 2 1 174.263 1.031 10 0 ADAEMP FCCCC[N@H+]1CCC[NH2+]CC1 67799849 572224435 /nfs/dbraw/zinc/22/44/35/572224435.db2.gz RWVZGBMRTODIAM-UHFFFAOYSA-N 2 1 174.263 1.031 10 0 ADAEMP CC(C)C[C@H](C)[C@@H](C[NH3+])[NH2+]C1CC1 300989435 572224535 /nfs/dbraw/zinc/22/45/35/572224535.db2.gz VJERXFYKBHSXNK-GXSJLCMTSA-N 2 1 184.327 1.748 10 0 ADAEMP CCCC[C@H](C)C[NH2+]CC[NH3+] 300985263 572224884 /nfs/dbraw/zinc/22/48/84/572224884.db2.gz UYFOJQYHTNWJRN-VIFPVBQESA-N 2 1 158.289 1.361 10 0 ADAEMP CC(C)C[C@@H](C)[C@@H](C[NH3+])[NH2+]C1CC1 300989441 572224725 /nfs/dbraw/zinc/22/47/25/572224725.db2.gz VJERXFYKBHSXNK-MWLCHTKSSA-N 2 1 184.327 1.748 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@]12CC[C@@H](C)C2 711984721 572224777 /nfs/dbraw/zinc/22/47/77/572224777.db2.gz NDUYTICPNYIDDI-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 36827246 572224832 /nfs/dbraw/zinc/22/48/32/572224832.db2.gz KTVKPWFSFNLGGA-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[C@@H](C)[C@H](C[NH3+])[NH2+]C1CC1 300989438 572225274 /nfs/dbraw/zinc/22/52/74/572225274.db2.gz VJERXFYKBHSXNK-KOLCDFICSA-N 2 1 184.327 1.748 10 0 ADAEMP CCSC[C@@H]([NH3+])c1c[nH+]ccc1N 83485030 572225460 /nfs/dbraw/zinc/22/54/60/572225460.db2.gz LDBSGMBATVEXQJ-SECBINFHSA-N 2 1 197.307 1.417 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)CC1CC1 43905586 572225552 /nfs/dbraw/zinc/22/55/52/572225552.db2.gz QNFIGAURJAEEMS-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)C1 43908485 572227227 /nfs/dbraw/zinc/22/72/27/572227227.db2.gz PVUXSFJYJXMHTQ-BBBLOLIVSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@H](C)[NH2+]CC[C@H]1C[C@@H]1C1CC1 711986859 572225951 /nfs/dbraw/zinc/22/59/51/572225951.db2.gz HOFLHYUVYOBQTA-ZMLRMANQSA-N 2 1 196.338 1.620 10 0 ADAEMP CCSC[C@H]([NH3+])c1c[nH+]ccc1N 83485029 572226055 /nfs/dbraw/zinc/22/60/55/572226055.db2.gz LDBSGMBATVEXQJ-VIFPVBQESA-N 2 1 197.307 1.417 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](C)C1 43908591 572226129 /nfs/dbraw/zinc/22/61/29/572226129.db2.gz XVHCGTBYLYHSPM-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCC[C@H]1C 43902882 572226288 /nfs/dbraw/zinc/22/62/88/572226288.db2.gz VVOXAVMIVMVOEM-BBBLOLIVSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1[N@H+]1CC[C@H](C)C1 43908598 572226502 /nfs/dbraw/zinc/22/65/02/572226502.db2.gz XVHCGTBYLYHSPM-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+](C)CC1CC1 43906523 572226446 /nfs/dbraw/zinc/22/64/46/572226446.db2.gz UMIQXMCQPCOMQV-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+](C)CC1CC1 43906523 572226447 /nfs/dbraw/zinc/22/64/47/572226447.db2.gz UMIQXMCQPCOMQV-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CC1CC1 43905582 572226472 /nfs/dbraw/zinc/22/64/72/572226472.db2.gz QNFIGAURJAEEMS-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@@H](C)[NH2+]CC[C@@H]1C[C@@H]1C1CC1 711986849 572226563 /nfs/dbraw/zinc/22/65/63/572226563.db2.gz HOFLHYUVYOBQTA-YUSALJHKSA-N 2 1 196.338 1.620 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@]12CC[C@@H](C)C2 711984714 572226600 /nfs/dbraw/zinc/22/66/00/572226600.db2.gz NDUYTICPNYIDDI-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]C[C@H](C)[NH2+]CC[C@@H]1C[C@H]1C1CC1 711986847 572226815 /nfs/dbraw/zinc/22/68/15/572226815.db2.gz HOFLHYUVYOBQTA-WCQGTBRESA-N 2 1 196.338 1.620 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CC[C@@H](C)[NH2+]C 43904360 572226970 /nfs/dbraw/zinc/22/69/70/572226970.db2.gz BBYIFSSCHGDQPU-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)C(C)C 36871985 572227164 /nfs/dbraw/zinc/22/71/64/572227164.db2.gz LDEDXQSFWVIFQG-QMMMGPOBSA-N 2 1 144.262 1.064 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[N@H+]1CC[C@H](C)C1 43908489 572227267 /nfs/dbraw/zinc/22/72/67/572227267.db2.gz PVUXSFJYJXMHTQ-AEJSXWLSSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+](C)C(C)C 36871986 572227304 /nfs/dbraw/zinc/22/73/04/572227304.db2.gz LDEDXQSFWVIFQG-MRVPVSSYSA-N 2 1 144.262 1.064 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] 36875166 572227508 /nfs/dbraw/zinc/22/75/08/572227508.db2.gz MPCOTFJTQHTHQD-INTQDDNPSA-N 2 1 193.294 1.880 10 0 ADAEMP CCC[N@@H+](C)C[C@H]([NH3+])CC 36872055 572228492 /nfs/dbraw/zinc/22/84/92/572228492.db2.gz SVHKJGQTEBQJRB-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP C1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[NH2+]1 711989638 572229028 /nfs/dbraw/zinc/22/90/28/572229028.db2.gz TUIAKYDCSYVBSU-WOPDTQHZSA-N 2 1 194.322 1.374 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]([NH3+])CC 36872056 572229519 /nfs/dbraw/zinc/22/95/19/572229519.db2.gz SVHKJGQTEBQJRB-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CCCc1[nH+]ccn1CC[NH2+]C1CC1 70423888 572229973 /nfs/dbraw/zinc/22/99/73/572229973.db2.gz XUKCUUMLJQYFTA-UHFFFAOYSA-N 2 1 193.294 1.588 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@@H](C)CC(C)C 300994350 572230050 /nfs/dbraw/zinc/23/00/50/572230050.db2.gz WDAPTNRTJITIEW-WDEREUQCSA-N 2 1 186.343 1.996 10 0 ADAEMP CC[N@@H+](CCCC[NH+](C)C)C1CC1 687713627 572230065 /nfs/dbraw/zinc/23/00/65/572230065.db2.gz CLDIFIHBXJZGIK-UHFFFAOYSA-N 2 1 184.327 1.813 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@@H](C)CC(C)C 300994346 572231014 /nfs/dbraw/zinc/23/10/14/572231014.db2.gz WDAPTNRTJITIEW-QWRGUYRKSA-N 2 1 186.343 1.996 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@H](C)CC(C)C 300994338 572231251 /nfs/dbraw/zinc/23/12/51/572231251.db2.gz WDAPTNRTJITIEW-GHMZBOCLSA-N 2 1 186.343 1.996 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@H](C)CC(C)C 300994342 572231656 /nfs/dbraw/zinc/23/16/56/572231656.db2.gz WDAPTNRTJITIEW-MNOVXSKESA-N 2 1 186.343 1.996 10 0 ADAEMP Cc1[nH+]ccn1CCCC[NH+](C)C 687713622 572233185 /nfs/dbraw/zinc/23/31/85/572233185.db2.gz XZRHIARKVXRDQM-UHFFFAOYSA-N 2 1 181.283 1.533 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 300993506 572232676 /nfs/dbraw/zinc/23/26/76/572232676.db2.gz LZEMQABLYGAUFL-JGVFFNPUSA-N 2 1 192.253 1.359 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 36987016 572232778 /nfs/dbraw/zinc/23/27/78/572232778.db2.gz FCONIQFTGLPIQF-KXUCPTDWSA-N 2 1 197.326 1.536 10 0 ADAEMP CC[N@H+](C[C@@H]1CC[NH+](C)C1)C1CC1 687713719 572232779 /nfs/dbraw/zinc/23/27/79/572232779.db2.gz YXDNIFJHFHDCSA-SNVBAGLBSA-N 2 1 182.311 1.422 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[NH+](C)C1)C1CC1 687713719 572232782 /nfs/dbraw/zinc/23/27/82/572232782.db2.gz YXDNIFJHFHDCSA-SNVBAGLBSA-N 2 1 182.311 1.422 10 0 ADAEMP CC[NH+](C[C@@H]1CC[N@H+](C)C1)C1CC1 687713719 572232786 /nfs/dbraw/zinc/23/27/86/572232786.db2.gz YXDNIFJHFHDCSA-SNVBAGLBSA-N 2 1 182.311 1.422 10 0 ADAEMP CC[NH+](C[C@@H]1CC[N@@H+](C)C1)C1CC1 687713719 572232789 /nfs/dbraw/zinc/23/27/89/572232789.db2.gz YXDNIFJHFHDCSA-SNVBAGLBSA-N 2 1 182.311 1.422 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 300993511 572232879 /nfs/dbraw/zinc/23/28/79/572232879.db2.gz LZEMQABLYGAUFL-YUMQZZPRSA-N 2 1 192.253 1.359 10 0 ADAEMP CC[N@H+](C[C@H]1CC[NH+](C)C1)C1CC1 687713718 572233324 /nfs/dbraw/zinc/23/33/24/572233324.db2.gz YXDNIFJHFHDCSA-JTQLQIEISA-N 2 1 182.311 1.422 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[NH+](C)C1)C1CC1 687713718 572233326 /nfs/dbraw/zinc/23/33/26/572233326.db2.gz YXDNIFJHFHDCSA-JTQLQIEISA-N 2 1 182.311 1.422 10 0 ADAEMP CC[NH+](C[C@H]1CC[N@H+](C)C1)C1CC1 687713718 572233329 /nfs/dbraw/zinc/23/33/29/572233329.db2.gz YXDNIFJHFHDCSA-JTQLQIEISA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 36997059 572233448 /nfs/dbraw/zinc/23/34/48/572233448.db2.gz FIRIUWVICGCWRT-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CCC(F)(F)C1 300993504 572233646 /nfs/dbraw/zinc/23/36/46/572233646.db2.gz LZEMQABLYGAUFL-HTQZYQBOSA-N 2 1 192.253 1.359 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]C[C@H]1CCC(F)(F)C1 300993508 572233658 /nfs/dbraw/zinc/23/36/58/572233658.db2.gz LZEMQABLYGAUFL-SFYZADRCSA-N 2 1 192.253 1.359 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+](C)C1CC1 37081073 572235528 /nfs/dbraw/zinc/23/55/28/572235528.db2.gz GPIBJLIHYPUEQX-CBAPKCEASA-N 2 1 156.273 1.206 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H](C)[NH2+]CC 70535653 572234376 /nfs/dbraw/zinc/23/43/76/572234376.db2.gz DQOUUZZDKTZDQT-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H](C)[NH2+]CC 70535652 572234656 /nfs/dbraw/zinc/23/46/56/572234656.db2.gz DQOUUZZDKTZDQT-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@H+](C)C1CC1 37081286 572234665 /nfs/dbraw/zinc/23/46/65/572234665.db2.gz VKHNYBWWEYAOSC-VIFPVBQESA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@@H+](C)C1CC1 37081286 572234668 /nfs/dbraw/zinc/23/46/68/572234668.db2.gz VKHNYBWWEYAOSC-VIFPVBQESA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@H+](C)C1CC1 37081285 572234946 /nfs/dbraw/zinc/23/49/46/572234946.db2.gz VKHNYBWWEYAOSC-SECBINFHSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@@H+](C)C1CC1 37081285 572234948 /nfs/dbraw/zinc/23/49/48/572234948.db2.gz VKHNYBWWEYAOSC-SECBINFHSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@H+](CC1([NH3+])CCCCC1)C1CC1 37081265 572235054 /nfs/dbraw/zinc/23/50/54/572235054.db2.gz YKTLDEBOZSOCBL-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@@H+](CC1([NH3+])CCCCC1)C1CC1 37081265 572235056 /nfs/dbraw/zinc/23/50/56/572235056.db2.gz YKTLDEBOZSOCBL-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)C1CC1 37081074 572235220 /nfs/dbraw/zinc/23/52/20/572235220.db2.gz GPIBJLIHYPUEQX-IONNQARKSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CC1 37081072 572235238 /nfs/dbraw/zinc/23/52/38/572235238.db2.gz GPIBJLIHYPUEQX-VXNVDRBHSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]1CCC[C@H]([N@@H+](C)CCC(N)=[NH2+])C1 42493347 572235910 /nfs/dbraw/zinc/23/59/10/572235910.db2.gz JNORXIHLQUBUJY-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H]1CCC[NH2+]1 70535664 572235361 /nfs/dbraw/zinc/23/53/61/572235361.db2.gz ATFAQIRSQFQYTA-SNVBAGLBSA-N 2 1 193.294 1.588 10 0 ADAEMP CC[C@@H](CC1CC1)[N@H+]1CCCNCC1 70534084 572235626 /nfs/dbraw/zinc/23/56/26/572235626.db2.gz HZIDMXYIKRZGKX-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H](CC1CC1)[N@H+]1CCCNCC1 70534085 572235872 /nfs/dbraw/zinc/23/58/72/572235872.db2.gz HZIDMXYIKRZGKX-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)C1CC1 37081071 572236035 /nfs/dbraw/zinc/23/60/35/572236035.db2.gz GPIBJLIHYPUEQX-APPZFPTMSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[N@@H+](C)Cc1ccccc1CC[NH3+] 70533101 572236063 /nfs/dbraw/zinc/23/60/63/572236063.db2.gz GYCIKHBDEZJZKJ-UHFFFAOYSA-N 2 1 192.306 1.640 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](CC2CC2)C1 70584676 572236580 /nfs/dbraw/zinc/23/65/80/572236580.db2.gz WXVNAVFIZSBTHW-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584298 572236553 /nfs/dbraw/zinc/23/65/53/572236553.db2.gz NCCIPLSJUJNUQV-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H]1CCC[NH2+]1 70535663 572236172 /nfs/dbraw/zinc/23/61/72/572236172.db2.gz ATFAQIRSQFQYTA-JTQLQIEISA-N 2 1 193.294 1.588 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@@H+](C)CCC(N)=[NH2+])C1 42493346 572236204 /nfs/dbraw/zinc/23/62/04/572236204.db2.gz JNORXIHLQUBUJY-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584298 572236554 /nfs/dbraw/zinc/23/65/54/572236554.db2.gz NCCIPLSJUJNUQV-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@@H+](C)Cc1ccc(CC[NH3+])cc1 70533102 572236283 /nfs/dbraw/zinc/23/62/83/572236283.db2.gz ZFJZDIUJWDFQRR-UHFFFAOYSA-N 2 1 192.306 1.640 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C 37911222 572236556 /nfs/dbraw/zinc/23/65/56/572236556.db2.gz VWUBBZLEXORGIN-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](CC2CC2)C1 70584676 572236581 /nfs/dbraw/zinc/23/65/81/572236581.db2.gz WXVNAVFIZSBTHW-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)C[N@@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584378 572236433 /nfs/dbraw/zinc/23/64/33/572236433.db2.gz DFOYSVQHURCZQD-LLVKDONJSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H]([NH2+]C(C)C)C1 70584378 572236436 /nfs/dbraw/zinc/23/64/36/572236436.db2.gz DFOYSVQHURCZQD-LLVKDONJSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](CC2CCC2)C1 70585032 572236444 /nfs/dbraw/zinc/23/64/44/572236444.db2.gz NFRITBXFKMLSKB-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](CC2CCC2)C1 70585032 572236446 /nfs/dbraw/zinc/23/64/46/572236446.db2.gz NFRITBXFKMLSKB-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 70585035 572236704 /nfs/dbraw/zinc/23/67/04/572236704.db2.gz SZBVXXTVMGGJOR-LBPRGKRZSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 70585035 572236705 /nfs/dbraw/zinc/23/67/05/572236705.db2.gz SZBVXXTVMGGJOR-LBPRGKRZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)[C@H](C)C(C)C 43895440 572236769 /nfs/dbraw/zinc/23/67/69/572236769.db2.gz FJTRWUWLEIVONE-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 70585104 572236851 /nfs/dbraw/zinc/23/68/51/572236851.db2.gz RGDRIOPFHLRZJX-CMPLNLGQSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 70585104 572236856 /nfs/dbraw/zinc/23/68/56/572236856.db2.gz RGDRIOPFHLRZJX-CMPLNLGQSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](CC2CCC2)C1 70585033 572237004 /nfs/dbraw/zinc/23/70/04/572237004.db2.gz NFRITBXFKMLSKB-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C1CC(C[N@@H+]2CC[C@@H]([NH2+]C3CC3)C2)C1 70585039 572236903 /nfs/dbraw/zinc/23/69/03/572236903.db2.gz BMHWTIRTHHPLCR-GFCCVEGCSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](CC2CCC2)C1 70585033 572237005 /nfs/dbraw/zinc/23/70/05/572237005.db2.gz NFRITBXFKMLSKB-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C1CC(C[N@H+]2CC[C@@H]([NH2+]C3CC3)C2)C1 70585039 572236906 /nfs/dbraw/zinc/23/69/06/572236906.db2.gz BMHWTIRTHHPLCR-GFCCVEGCSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@H+](CC2CCC2)C1 70585034 572237009 /nfs/dbraw/zinc/23/70/09/572237009.db2.gz SZBVXXTVMGGJOR-GFCCVEGCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@@H+](CC2CCC2)C1 70585034 572237011 /nfs/dbraw/zinc/23/70/11/572237011.db2.gz SZBVXXTVMGGJOR-GFCCVEGCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H](C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585107 572237182 /nfs/dbraw/zinc/23/71/82/572237182.db2.gz AGMYBEWXOXMXPW-SKDRFNHKSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585107 572237184 /nfs/dbraw/zinc/23/71/84/572237184.db2.gz AGMYBEWXOXMXPW-SKDRFNHKSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+]([C@@H](C)CC)C1 70584297 572237200 /nfs/dbraw/zinc/23/72/00/572237200.db2.gz XIQMBOCSRMYYBD-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+]([C@@H](C)CC)C1 70584297 572237202 /nfs/dbraw/zinc/23/72/02/572237202.db2.gz XIQMBOCSRMYYBD-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CCCC(N)=[NH2+] 37914062 572237265 /nfs/dbraw/zinc/23/72/65/572237265.db2.gz NJTIUWLAPJEXHZ-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CC[C@@H](C)[NH3+] 37913594 572237309 /nfs/dbraw/zinc/23/73/09/572237309.db2.gz YRFNUQXKEYWZEF-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CC[C@@H](C)[NH3+] 37913595 572237357 /nfs/dbraw/zinc/23/73/57/572237357.db2.gz YRFNUQXKEYWZEF-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[N@@H+]1CCC[C@H]([NH2+]CC)C1 70584761 572237606 /nfs/dbraw/zinc/23/76/06/572237606.db2.gz MWVTYYVGKHZINM-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]([NH2+]CC)C1 70584761 572237612 /nfs/dbraw/zinc/23/76/12/572237612.db2.gz MWVTYYVGKHZINM-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC1 37911211 572237864 /nfs/dbraw/zinc/23/78/64/572237864.db2.gz STEMSVTZFKOAMZ-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC1 37911211 572237866 /nfs/dbraw/zinc/23/78/66/572237866.db2.gz STEMSVTZFKOAMZ-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 37911240 572237930 /nfs/dbraw/zinc/23/79/30/572237930.db2.gz JXSSSLHLSVAIFA-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@@H]1C 37911080 572238130 /nfs/dbraw/zinc/23/81/30/572238130.db2.gz XGMSZROQSDYBGD-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585326 572238133 /nfs/dbraw/zinc/23/81/33/572238133.db2.gz DOGJDJGLIOUEIW-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585326 572238136 /nfs/dbraw/zinc/23/81/36/572238136.db2.gz DOGJDJGLIOUEIW-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC 37914198 572238315 /nfs/dbraw/zinc/23/83/15/572238315.db2.gz GUCXAZVLPQYWDK-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C1CC(C[N@@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 70585038 572238324 /nfs/dbraw/zinc/23/83/24/572238324.db2.gz BMHWTIRTHHPLCR-LBPRGKRZSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[N@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 70585038 572238327 /nfs/dbraw/zinc/23/83/27/572238327.db2.gz BMHWTIRTHHPLCR-LBPRGKRZSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@@H]1C 37910082 572238332 /nfs/dbraw/zinc/23/83/32/572238332.db2.gz CVWBJNYMICOEBB-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)C[N@@H+]1CC[C@H]([NH2+]C(C)C)C1 70584377 572238490 /nfs/dbraw/zinc/23/84/90/572238490.db2.gz DFOYSVQHURCZQD-NSHDSACASA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH2+]C(C)C)C1 70584377 572238491 /nfs/dbraw/zinc/23/84/91/572238491.db2.gz DFOYSVQHURCZQD-NSHDSACASA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H](C)C[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 70585325 572238607 /nfs/dbraw/zinc/23/86/07/572238607.db2.gz DOGJDJGLIOUEIW-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CC[C@H]([NH2+]C2CC2)C1 70585325 572238610 /nfs/dbraw/zinc/23/86/10/572238610.db2.gz DOGJDJGLIOUEIW-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CCCC[NH3+] 37913202 572238812 /nfs/dbraw/zinc/23/88/12/572238812.db2.gz XBQRJAIWEJIHPQ-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](CC2CC2)C1 70584675 572238850 /nfs/dbraw/zinc/23/88/50/572238850.db2.gz WXVNAVFIZSBTHW-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](CC2CC2)C1 70584675 572238851 /nfs/dbraw/zinc/23/88/51/572238851.db2.gz WXVNAVFIZSBTHW-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C)[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 712015363 572238932 /nfs/dbraw/zinc/23/89/32/572238932.db2.gz YHEFHFAEFKLCHF-ROHXPCBUSA-N 2 1 194.322 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 712015363 572238933 /nfs/dbraw/zinc/23/89/33/572238933.db2.gz YHEFHFAEFKLCHF-ROHXPCBUSA-N 2 1 194.322 1.325 10 0 ADAEMP CC(C)[NH2+]CCC[N@H+]1CCC[C@@H]1C 37911221 572239014 /nfs/dbraw/zinc/23/90/14/572239014.db2.gz VYUHZUFBIXWRIK-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 37910130 572239055 /nfs/dbraw/zinc/23/90/55/572239055.db2.gz NVTJDMPTFVORPE-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1[C@@H](CC)CC(N)=[NH2+] 37914073 572239088 /nfs/dbraw/zinc/23/90/88/572239088.db2.gz YDFCVWXVKZYOPF-UWVGGRQHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@@H](C)C[NH3+] 37913210 572239114 /nfs/dbraw/zinc/23/91/14/572239114.db2.gz NWQLGOKDXSEJON-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CC[C@H](C)C1 43908753 572239286 /nfs/dbraw/zinc/23/92/86/572239286.db2.gz OOXGPSVCOKSMQU-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CC[C@H](C)C1 43908753 572239288 /nfs/dbraw/zinc/23/92/88/572239288.db2.gz OOXGPSVCOKSMQU-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1CC[C@H](C)C1 43908757 572239321 /nfs/dbraw/zinc/23/93/21/572239321.db2.gz OOXGPSVCOKSMQU-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 712015355 572239683 /nfs/dbraw/zinc/23/96/83/572239683.db2.gz YHEFHFAEFKLCHF-IYKVGLELSA-N 2 1 194.322 1.325 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@H]1CC 37914072 572239351 /nfs/dbraw/zinc/23/93/51/572239351.db2.gz YDFCVWXVKZYOPF-ZJUUUORDSA-N 2 1 197.326 1.965 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 712015355 572239684 /nfs/dbraw/zinc/23/96/84/572239684.db2.gz YHEFHFAEFKLCHF-IYKVGLELSA-N 2 1 194.322 1.325 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CC[C@H](C)C1 43908757 572239323 /nfs/dbraw/zinc/23/93/23/572239323.db2.gz OOXGPSVCOKSMQU-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[NH2+]CCC[N@H+]1CCC[C@H]1C 37911220 572239540 /nfs/dbraw/zinc/23/95/40/572239540.db2.gz VYUHZUFBIXWRIK-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H](C)C[NH3+] 37913209 572239608 /nfs/dbraw/zinc/23/96/08/572239608.db2.gz NWQLGOKDXSEJON-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H](C)CC[NH3+] 37913267 572239677 /nfs/dbraw/zinc/23/96/77/572239677.db2.gz LLQAANFBYISBCY-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@H+]1CC[C@H](C)C1 43909024 572239831 /nfs/dbraw/zinc/23/98/31/572239831.db2.gz RLJQIZBVHASMSI-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@H+]1CC[C@H](C)C1 43908097 572240035 /nfs/dbraw/zinc/24/00/35/572240035.db2.gz PNVKGFAYEOIYEG-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CC[C@H](C)C1 43909096 572240293 /nfs/dbraw/zinc/24/02/93/572240293.db2.gz ATHFHPKZQGGQHI-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CN[C@@H]1CC[N@H+](CC(C)C)[C@@H]1C1CC1 712024708 572240314 /nfs/dbraw/zinc/24/03/14/572240314.db2.gz WRLKJQNGNOIMFJ-VXGBXAGGSA-N 2 1 196.338 1.715 10 0 ADAEMP CN[C@@H]1CC[N@@H+](CC(C)C)[C@@H]1C1CC1 712024708 572240316 /nfs/dbraw/zinc/24/03/16/572240316.db2.gz WRLKJQNGNOIMFJ-VXGBXAGGSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CC[C@H](C)C1)C(C)(C)C 43908033 572241096 /nfs/dbraw/zinc/24/10/96/572241096.db2.gz ACQKWNQGXUYMRL-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1 43811848 572241136 /nfs/dbraw/zinc/24/11/36/572241136.db2.gz AKNPRYUAWNBIRL-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1 43811848 572241137 /nfs/dbraw/zinc/24/11/37/572241137.db2.gz AKNPRYUAWNBIRL-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1 43811847 572242060 /nfs/dbraw/zinc/24/20/60/572242060.db2.gz AKNPRYUAWNBIRL-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1 43811847 572242061 /nfs/dbraw/zinc/24/20/61/572242061.db2.gz AKNPRYUAWNBIRL-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@H+]1CC[C@H](C)C1 43908090 572241166 /nfs/dbraw/zinc/24/11/66/572241166.db2.gz PNVKGFAYEOIYEG-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@H](C)C1 43811778 572241217 /nfs/dbraw/zinc/24/12/17/572241217.db2.gz CXKFEACAFYHLJL-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@H]1C 43902810 572241341 /nfs/dbraw/zinc/24/13/41/572241341.db2.gz DDLTVFIWTSBLRB-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1CC[C@]12[C@H]([NH3+])CC[N@H+]2CC1CC1 712025285 572241349 /nfs/dbraw/zinc/24/13/49/572241349.db2.gz WNVSMPPWWVYMGT-YUSALJHKSA-N 2 1 194.322 1.598 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCCC[C@H]1C 43809957 572241467 /nfs/dbraw/zinc/24/14/67/572241467.db2.gz CYVZCUGERIATOS-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1CC[C@@]12[C@@H]([NH3+])CC[N@H+]2CC1CC1 712025284 572241510 /nfs/dbraw/zinc/24/15/10/572241510.db2.gz WNVSMPPWWVYMGT-USWWRNFRSA-N 2 1 194.322 1.598 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@H+]1CC[C@H](C)C1 43909020 572241538 /nfs/dbraw/zinc/24/15/38/572241538.db2.gz RLJQIZBVHASMSI-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CC[C@H](C)C1 43909104 572241561 /nfs/dbraw/zinc/24/15/61/572241561.db2.gz ATHFHPKZQGGQHI-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+]1CC[C@H](C)C1 43909257 572241857 /nfs/dbraw/zinc/24/18/57/572241857.db2.gz URCKYZSJVCGBKE-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+]1CC[C@H](C)C1 43909257 572241859 /nfs/dbraw/zinc/24/18/59/572241859.db2.gz URCKYZSJVCGBKE-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+]1CC[C@H](C)C1 43909260 572241890 /nfs/dbraw/zinc/24/18/90/572241890.db2.gz URCKYZSJVCGBKE-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+]1CC[C@H](C)C1 43909260 572241893 /nfs/dbraw/zinc/24/18/93/572241893.db2.gz URCKYZSJVCGBKE-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+](CC1CCC([NH3+])CC1)CC1CC1 37925752 572243341 /nfs/dbraw/zinc/24/33/41/572243341.db2.gz IRAMWCWVJZMDKB-UHFFFAOYSA-N 2 1 196.338 1.846 10 0 ADAEMP CN[C@H]1CC[N@H+](CC(C)C)[C@H]1C1CC1 712024707 572241997 /nfs/dbraw/zinc/24/19/97/572241997.db2.gz WRLKJQNGNOIMFJ-RYUDHWBXSA-N 2 1 196.338 1.715 10 0 ADAEMP CN[C@H]1CC[N@@H+](CC(C)C)[C@H]1C1CC1 712024707 572241999 /nfs/dbraw/zinc/24/19/99/572241999.db2.gz WRLKJQNGNOIMFJ-RYUDHWBXSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@@]12CC[C@H]2C 712031981 572242243 /nfs/dbraw/zinc/24/22/43/572242243.db2.gz PTQKKDLKCPDDJR-WOPDTQHZSA-N 2 1 196.338 1.844 10 0 ADAEMP CCCC[C@@H]([NH3+])C[N@@H+](C)CC1CC1 37925749 572242247 /nfs/dbraw/zinc/24/22/47/572242247.db2.gz JCESAFJCKYMPBT-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] 37925106 572242282 /nfs/dbraw/zinc/24/22/82/572242282.db2.gz KTZIKZCJDOHVQL-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@H+]1CCC[C@H]1C 250284698 572242300 /nfs/dbraw/zinc/24/23/00/572242300.db2.gz LGZFPBFMHKFLSS-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C)[C@@]1(C)[C@@H]([NH2+]C)CC[N@H+]1C 712033870 572242412 /nfs/dbraw/zinc/24/24/12/572242412.db2.gz NTWMKHPKSVCREK-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@H]1CC 712033890 572242504 /nfs/dbraw/zinc/24/25/04/572242504.db2.gz SDQMAQAJQBDSKM-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](C)[C@@]1(C)[C@H]([NH2+]C)CC[N@H+]1C 712033864 572242668 /nfs/dbraw/zinc/24/26/68/572242668.db2.gz NTWMKHPKSVCREK-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@@H+](CC1CC1)CC1([NH3+])CCCC1 37925758 572242848 /nfs/dbraw/zinc/24/28/48/572242848.db2.gz UTWPWFWYBYKHAG-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[NH2+]CCC[N@@H+](C)CC1CC1 37925747 572242856 /nfs/dbraw/zinc/24/28/56/572242856.db2.gz BJSSSTPQVWWMFF-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@H]1CC 712033893 572242948 /nfs/dbraw/zinc/24/29/48/572242948.db2.gz SDQMAQAJQBDSKM-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP C[N@@H+](CCCC(N)=[NH2+])CC1CC1 37925645 572242997 /nfs/dbraw/zinc/24/29/97/572242997.db2.gz CNTBVUSFGOCFIC-UHFFFAOYSA-N 2 1 169.272 1.044 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1CC 712034567 572243049 /nfs/dbraw/zinc/24/30/49/572243049.db2.gz SDQMAQAJQBDSKM-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 44527964 572243208 /nfs/dbraw/zinc/24/32/08/572243208.db2.gz LHJKDJSLYAIYHJ-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)CC1CC1 37925136 572243327 /nfs/dbraw/zinc/24/33/27/572243327.db2.gz GNHOXHDATBZDOX-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C)[C@]1(C)[C@H]([NH2+]C)CC[N@H+]1C 712033879 572243421 /nfs/dbraw/zinc/24/34/21/572243421.db2.gz NTWMKHPKSVCREK-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)CC1CC1 37925135 572243500 /nfs/dbraw/zinc/24/35/00/572243500.db2.gz GNHOXHDATBZDOX-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](CC1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37925123 572243603 /nfs/dbraw/zinc/24/36/03/572243603.db2.gz ITQIFEPINYEJER-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](CC1CC1)CC1([NH3+])CCCCC1 37925728 572243618 /nfs/dbraw/zinc/24/36/18/572243618.db2.gz FPPRXFSOSUASDO-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 44527965 572243634 /nfs/dbraw/zinc/24/36/34/572243634.db2.gz LHJKDJSLYAIYHJ-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1CC 712034550 572243678 /nfs/dbraw/zinc/24/36/78/572243678.db2.gz SDQMAQAJQBDSKM-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@@]12CC[C@@H]2C 712031980 572243876 /nfs/dbraw/zinc/24/38/76/572243876.db2.gz PTQKKDLKCPDDJR-SRVKXCTJSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@@H+](CC1CC1)[C@H]1CCCC[C@@H]1C[NH3+] 37925107 572243888 /nfs/dbraw/zinc/24/38/88/572243888.db2.gz KTZIKZCJDOHVQL-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 37925122 572243906 /nfs/dbraw/zinc/24/39/06/572243906.db2.gz ITQIFEPINYEJER-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@H+]1CCC[C@H]1C 250284702 572243945 /nfs/dbraw/zinc/24/39/45/572243945.db2.gz LGZFPBFMHKFLSS-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@@H+](C)CC1CC1 37925748 572243979 /nfs/dbraw/zinc/24/39/79/572243979.db2.gz JCESAFJCKYMPBT-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[C@]1(C)[C@@H]([NH2+]C)CC[N@H+]1C 712033875 572244116 /nfs/dbraw/zinc/24/41/16/572244116.db2.gz NTWMKHPKSVCREK-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP CCCC[N@@H+](C)CC[C@@H](C)C[NH3+] 49805078 572250378 /nfs/dbraw/zinc/25/03/78/572250378.db2.gz HSCHLHOKIIEVCO-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CCCC[NH2+]C[C@H](C)[NH+]1CCCC1 47889522 572246443 /nfs/dbraw/zinc/24/64/43/572246443.db2.gz MZMOLOVGNREJNQ-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@H+]1CCC[C@H]1C 45600814 572244541 /nfs/dbraw/zinc/24/45/41/572244541.db2.gz VOJZYMRFANQNGF-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCOC(=[NH2+])CC[NH+](CC)CC 37928001 572244576 /nfs/dbraw/zinc/24/45/76/572244576.db2.gz WKVXGKJRYYFCMW-UHFFFAOYSA-N 2 1 172.272 1.732 10 0 ADAEMP C[C@H]1CC[N@H+](CCCC[C@@H](C)[NH3+])C1 45601037 572244578 /nfs/dbraw/zinc/24/45/78/572244578.db2.gz VFNGRYPEPCWCKF-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]1CC[C@]2(C1)[C@@H]([NH3+])CC[N@H+]2C 712034389 572244921 /nfs/dbraw/zinc/24/49/21/572244921.db2.gz UZIGIWUVKNVVTE-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@H+]1CCC[C@H]1C 45600793 572244949 /nfs/dbraw/zinc/24/49/49/572244949.db2.gz RINBVAJGPCUVNM-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]([NH3+])CCCC[N@H+]1CCC[C@H]1C 45600789 572244952 /nfs/dbraw/zinc/24/49/52/572244952.db2.gz FUNHLSAWMUMEOF-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CC[N@H+](CCC[C@@H](C)[NH3+])C1 45601043 572245130 /nfs/dbraw/zinc/24/51/30/572245130.db2.gz IPMIKBKHIRXLGB-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49707361 572249138 /nfs/dbraw/zinc/24/91/38/572249138.db2.gz ZMBUMMBAJXXVJW-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CC[C@@]2(C1)[C@@H]([NH3+])CC[N@H+]2C 712034382 572245433 /nfs/dbraw/zinc/24/54/33/572245433.db2.gz UZIGIWUVKNVVTE-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@H+]1CCCC[C@H]1C 45598634 572245514 /nfs/dbraw/zinc/24/55/14/572245514.db2.gz PNNATDBWYJGUSE-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CCC[N@H+](CCC[C@@H](C)[NH3+])C1 45598711 572245661 /nfs/dbraw/zinc/24/56/61/572245661.db2.gz MPLZIEYYEWNKIO-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP COC[C@H](C)[N@@H+](C)CCC[C@H](C)[NH3+] 45602454 572245738 /nfs/dbraw/zinc/24/57/38/572245738.db2.gz AQHIZERRHKMPPI-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@H+]1CC[C@H](C)C1 45601062 572245850 /nfs/dbraw/zinc/24/58/50/572245850.db2.gz NRGHSDBSTDBTDT-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H]1CC[C@]2(C1)[C@H]([NH3+])CC[N@H+]2C 712034376 572246180 /nfs/dbraw/zinc/24/61/80/572246180.db2.gz UZIGIWUVKNVVTE-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@@H+](C)CC[C@H](C)CC[NH3+] 393371415 572246185 /nfs/dbraw/zinc/24/61/85/572246185.db2.gz NIELRDRQPUBNNN-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+]1CC[C@H](C)C1 50179437 572251393 /nfs/dbraw/zinc/25/13/93/572251393.db2.gz OFGGLCKKAZOSFT-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCC[NH2+]C[C@@H](C)[NH+]1CCCC1 47889519 572247311 /nfs/dbraw/zinc/24/73/11/572247311.db2.gz MZMOLOVGNREJNQ-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](C)CC[NH3+] 49805085 572249105 /nfs/dbraw/zinc/24/91/05/572249105.db2.gz UUIWYHSCMMWKDB-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49709128 572249061 /nfs/dbraw/zinc/24/90/61/572249061.db2.gz QUWHIUQMALKIPS-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49709109 572249223 /nfs/dbraw/zinc/24/92/23/572249223.db2.gz NJVSPFQXNSLTQE-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC(C)C)C[C@H]1C 49707371 572249368 /nfs/dbraw/zinc/24/93/68/572249368.db2.gz LNUDAJQUXAYHLM-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CC2)[C@H](C)C1 49694116 572249386 /nfs/dbraw/zinc/24/93/86/572249386.db2.gz HZBNEWZJPZJWDW-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC)C[C@@H]1C 49709131 572249416 /nfs/dbraw/zinc/24/94/16/572249416.db2.gz YUOAGHMPGPSCHW-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@@H+](C)CC[C@H](C)C[NH3+] 49805079 572249446 /nfs/dbraw/zinc/24/94/46/572249446.db2.gz HSCHLHOKIIEVCO-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)[C@H](C)C1 49694115 572249802 /nfs/dbraw/zinc/24/98/02/572249802.db2.gz HZBNEWZJPZJWDW-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49707352 572249968 /nfs/dbraw/zinc/24/99/68/572249968.db2.gz NUISPPZIGDTQAU-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC)[C@H](C)C1 49709114 572250099 /nfs/dbraw/zinc/25/00/99/572250099.db2.gz JVXIYOBRSFYOSI-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49709126 572250154 /nfs/dbraw/zinc/25/01/54/572250154.db2.gz QUWHIUQMALKIPS-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49707351 572250247 /nfs/dbraw/zinc/25/02/47/572250247.db2.gz NUISPPZIGDTQAU-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]CC)C[C@@H]1C 49709130 572250254 /nfs/dbraw/zinc/25/02/54/572250254.db2.gz YUOAGHMPGPSCHW-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C)C[C@@H]1C 49707362 572250414 /nfs/dbraw/zinc/25/04/14/572250414.db2.gz ZMBUMMBAJXXVJW-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]CC)[C@H](C)C1 49709112 572250448 /nfs/dbraw/zinc/25/04/48/572250448.db2.gz JVXIYOBRSFYOSI-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC)[C@H](C)C1 49708966 572250466 /nfs/dbraw/zinc/25/04/66/572250466.db2.gz BJAWYUUOTGPVGF-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 49709111 572250617 /nfs/dbraw/zinc/25/06/17/572250617.db2.gz NJVSPFQXNSLTQE-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[C@H](CC)[N@H+]1CC[C@H](C[NH3+])C1 50405470 572250820 /nfs/dbraw/zinc/25/08/20/572250820.db2.gz UJYGKWHBWKNDQH-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@H](CC)[N@@H+]1CC[C@H]([NH3+])C1 50404954 572251064 /nfs/dbraw/zinc/25/10/64/572251064.db2.gz UEUUDQVNRSKSCN-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H](CC)[N@H+]1CC[C@H]([NH3+])C1 50404954 572251065 /nfs/dbraw/zinc/25/10/65/572251065.db2.gz UEUUDQVNRSKSCN-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+]1CC[C@H](C)C1 50179437 572251392 /nfs/dbraw/zinc/25/13/92/572251392.db2.gz OFGGLCKKAZOSFT-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)CC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 50227939 572251713 /nfs/dbraw/zinc/25/17/13/572251713.db2.gz ZPEHGEZSTIZNHE-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 50227939 572251714 /nfs/dbraw/zinc/25/17/14/572251714.db2.gz ZPEHGEZSTIZNHE-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@@H](CC)[N@H+]1CC[C@H](C[NH3+])C1 50405468 572251999 /nfs/dbraw/zinc/25/19/99/572251999.db2.gz UJYGKWHBWKNDQH-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 50227938 572252008 /nfs/dbraw/zinc/25/20/08/572252008.db2.gz ZPEHGEZSTIZNHE-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 50227938 572252009 /nfs/dbraw/zinc/25/20/09/572252009.db2.gz ZPEHGEZSTIZNHE-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@]12CCC[C@@H](C)C2 712065149 572252075 /nfs/dbraw/zinc/25/20/75/572252075.db2.gz FPAPHFXJCLUZAC-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+]1CC[C@H](C)C1 50179438 572252107 /nfs/dbraw/zinc/25/21/07/572252107.db2.gz OFGGLCKKAZOSFT-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+]1CC[C@H](C)C1 50179438 572252108 /nfs/dbraw/zinc/25/21/08/572252108.db2.gz OFGGLCKKAZOSFT-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C[N@H+]1CC[C@H](C)C1)[NH2+]C 50179435 572252216 /nfs/dbraw/zinc/25/22/16/572252216.db2.gz KSAHYUBMQAMZOY-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1CC1(C[NH3+])CC1 49811668 572252331 /nfs/dbraw/zinc/25/23/31/572252331.db2.gz JVMHIDQQNGECGJ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[C@@H](C[N@@H+]1CC[C@H](C)C1)[NH2+]C 50185106 572252365 /nfs/dbraw/zinc/25/23/65/572252365.db2.gz VOBYBIKNPFLUQX-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H](C[N@H+]1CC[C@H](C)C1)[NH2+]C 50185106 572252369 /nfs/dbraw/zinc/25/23/69/572252369.db2.gz VOBYBIKNPFLUQX-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H](CC)[N@@H+]1CC[C@H]([NH3+])C1 50404952 572252396 /nfs/dbraw/zinc/25/23/96/572252396.db2.gz UEUUDQVNRSKSCN-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](CC)[N@H+]1CC[C@H]([NH3+])C1 50404952 572252397 /nfs/dbraw/zinc/25/23/97/572252397.db2.gz UEUUDQVNRSKSCN-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1CC1(C[NH3+])CC1 49811669 572252423 /nfs/dbraw/zinc/25/24/23/572252423.db2.gz JVMHIDQQNGECGJ-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H](C[N@H+]1CC[C@H](C)C1)[NH2+]C 50179436 572252546 /nfs/dbraw/zinc/25/25/46/572252546.db2.gz KSAHYUBMQAMZOY-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCC1([NH3+])CCC1 86853869 572327326 /nfs/dbraw/zinc/32/73/26/572327326.db2.gz GWLZPNQDRLXERU-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCC1([NH3+])CCC1 86853843 572328289 /nfs/dbraw/zinc/32/82/89/572328289.db2.gz CQUUQPVMDDPYKL-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)[N@@H+](C)CCC1([NH3+])CCC1 86853812 572328363 /nfs/dbraw/zinc/32/83/63/572328363.db2.gz IXAYRKRJQKRTDJ-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCCC1(C)C 86865796 572328452 /nfs/dbraw/zinc/32/84/52/572328452.db2.gz PZAQTBUFYVYUQM-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CCCC[N@@H+](C)CCC1([NH3+])CCC1 86853809 572328406 /nfs/dbraw/zinc/32/84/06/572328406.db2.gz JXSKCMKSXUXMQI-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CC[N@@H+](CCC1([NH3+])CCC1)C(C)C 86853834 572328513 /nfs/dbraw/zinc/32/85/13/572328513.db2.gz HXDKIBOERMZRDR-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC1([NH3+])CCC1 86854093 572326394 /nfs/dbraw/zinc/32/63/94/572326394.db2.gz UTFJKLZSRHSHGU-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH+](CC)CCNC1=[NH+]CCC1 88225329 572328531 /nfs/dbraw/zinc/32/85/31/572328531.db2.gz RTMORQRTILWMLQ-UHFFFAOYSA-N 2 1 183.299 1.110 10 0 ADAEMP CC[N@@H+](CCC1([NH3+])CCC1)CC1CC1 86854096 572326719 /nfs/dbraw/zinc/32/67/19/572326719.db2.gz UFBGPNIJYDWPQF-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CCC1)CC1CCC1 86854051 572326764 /nfs/dbraw/zinc/32/67/64/572326764.db2.gz HYWIMNOCJHAPNR-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCC1([NH3+])CCC1 86854095 572326813 /nfs/dbraw/zinc/32/68/13/572326813.db2.gz UTFJKLZSRHSHGU-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@@H+](C)CCC1([NH3+])CCC1 86853841 572327024 /nfs/dbraw/zinc/32/70/24/572327024.db2.gz KMQMKOZATVRYDF-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP [NH3+]C1(CC[NH2+]Cc2ccco2)CCC1 86853900 572327157 /nfs/dbraw/zinc/32/71/57/572327157.db2.gz PHYDWDGXKJFNQW-UHFFFAOYSA-N 2 1 194.278 1.641 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CCC1)CC1CC1 86853892 572327966 /nfs/dbraw/zinc/32/79/66/572327966.db2.gz BKEWGFQDMJRPJV-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCC1([NH3+])CCC1 86853868 572328126 /nfs/dbraw/zinc/32/81/26/572328126.db2.gz GWLZPNQDRLXERU-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](CCC1([NH3+])CCC1)C1CC1 86853833 572328207 /nfs/dbraw/zinc/32/82/07/572328207.db2.gz UFXSOIYXYUYZFL-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC1([NH3+])CCC1 86854094 572328558 /nfs/dbraw/zinc/32/85/58/572328558.db2.gz UTFJKLZSRHSHGU-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)C[N@@H+](C)CCC1([NH3+])CCC1 86853842 572328600 /nfs/dbraw/zinc/32/86/00/572328600.db2.gz ADYRPDCJFLICFH-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC1([NH3+])CCC1 86853844 572328649 /nfs/dbraw/zinc/32/86/49/572328649.db2.gz CQUUQPVMDDPYKL-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[N@@H+](CC)CCC1([NH3+])CCC1 86853838 572328921 /nfs/dbraw/zinc/32/89/21/572328921.db2.gz RBOXRQJBJKOHNT-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CC1(C)CCC[C@]1(C[NH3+])[NH2+]CC1CC1 86865958 572329025 /nfs/dbraw/zinc/32/90/25/572329025.db2.gz KNMIDOJSLFWXDK-GFCCVEGCSA-N 2 1 196.338 1.894 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC1([NH3+])CCC1 86854092 572329032 /nfs/dbraw/zinc/32/90/32/572329032.db2.gz UTFJKLZSRHSHGU-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@@H]1[NH2+]C 44037124 572329759 /nfs/dbraw/zinc/32/97/59/572329759.db2.gz NZUITKFVGKMREE-UWVGGRQHSA-N 2 1 193.294 1.759 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@H]1[NH2+]C 44037127 572330167 /nfs/dbraw/zinc/33/01/67/572330167.db2.gz NZUITKFVGKMREE-NXEZZACHSA-N 2 1 193.294 1.759 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@@H]1[NH2+]C 44037120 572330001 /nfs/dbraw/zinc/33/00/01/572330001.db2.gz NZUITKFVGKMREE-VHSXEESVSA-N 2 1 193.294 1.759 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 238204623 572330501 /nfs/dbraw/zinc/33/05/01/572330501.db2.gz IDHYOXFMMKKXFY-XYPYZODXSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCC(C)(C)[C@@H]1[NH2+]C 86871219 572333125 /nfs/dbraw/zinc/33/31/25/572333125.db2.gz IYYIAEYUXILMRT-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1C[C@H]1C 52273423 572336692 /nfs/dbraw/zinc/33/66/92/572336692.db2.gz FULVXKQYNAJDID-WTPMCQDGSA-N 2 1 196.338 1.713 10 0 ADAEMP C[NH2+]CC[C@H]1CC[N@H+](C2CCCC2)C1 77296121 572336861 /nfs/dbraw/zinc/33/68/61/572336861.db2.gz DSWVWOBCVUUCQO-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CC[C@@H]1CC[N@H+](C2CCCC2)C1 77296120 572336960 /nfs/dbraw/zinc/33/69/60/572336960.db2.gz DSWVWOBCVUUCQO-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]C[C@H]([NH3+])C/C=C\c1ccccc1 307981457 572338364 /nfs/dbraw/zinc/33/83/64/572338364.db2.gz CJEPOHRLGMZCFJ-MEQVVJDKSA-N 2 1 176.263 1.376 10 0 ADAEMP [NH3+]C[C@@H]([NH3+])C/C=C\c1ccccc1 307981456 572338528 /nfs/dbraw/zinc/33/85/28/572338528.db2.gz CJEPOHRLGMZCFJ-IBHLPDHGSA-N 2 1 176.263 1.376 10 0 ADAEMP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCC[N@@H+](C)C1 52272930 572338788 /nfs/dbraw/zinc/33/87/88/572338788.db2.gz OVVOWLDLLYMKIM-KXNHARMFSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCC[N@@H+](C)C1 52272934 572338900 /nfs/dbraw/zinc/33/89/00/572338900.db2.gz OVVOWLDLLYMKIM-WRWGMCAJSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+]([C@H]2C[C@H]2C)C1 52299004 572340678 /nfs/dbraw/zinc/34/06/78/572340678.db2.gz BWGYBXJUXICSRZ-KXNHARMFSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@@H]2C[C@@H]2C)CC[NH2+]1 52298937 572340785 /nfs/dbraw/zinc/34/07/85/572340785.db2.gz KALJQZCWYBORRV-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+]([C@H]2C[C@@H]2C)C1 52299006 572340903 /nfs/dbraw/zinc/34/09/03/572340903.db2.gz BWGYBXJUXICSRZ-USZNOCQGSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)CCC[NH2+]1 52298951 572341139 /nfs/dbraw/zinc/34/11/39/572341139.db2.gz MHLHILRWVDAWEN-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)C(C)C 52419650 572344138 /nfs/dbraw/zinc/34/41/38/572344138.db2.gz UVIDYTQXWBLTOZ-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP Cc1[nH+]ccn1CCC(C)(C)C[NH3+] 83637390 572341464 /nfs/dbraw/zinc/34/14/64/572341464.db2.gz TYURGNGUJLTCED-UHFFFAOYSA-N 2 1 181.283 1.567 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](CC)C[NH3+] 83606433 572345033 /nfs/dbraw/zinc/34/50/33/572345033.db2.gz HHTRYYHLNWUVGX-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CC1(C)[C@@H]2CC=C(C[NH2+]CC[NH3+])[C@H]1C2 238212538 572341768 /nfs/dbraw/zinc/34/17/68/572341768.db2.gz CCPGBIFUIHQUCZ-GHMZBOCLSA-N 2 1 194.322 1.527 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)CC1CC1 83607229 572344073 /nfs/dbraw/zinc/34/40/73/572344073.db2.gz RFHPBJLIKYZYGD-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)[C@H](C)C1 52289060 572342110 /nfs/dbraw/zinc/34/21/10/572342110.db2.gz IJTQYOBPLJOKDI-IRCOFANPSA-N 2 1 196.338 1.857 10 0 ADAEMP CC/C=C(/C)C[N@H+]1C[C@H]2C([NH3+])[C@H]2C1 238215597 572342241 /nfs/dbraw/zinc/34/22/41/572342241.db2.gz VIZMSCPALVYLIC-GKUNTRNCSA-N 2 1 180.295 1.232 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H](C)CC[NH2+]C 52446739 572348624 /nfs/dbraw/zinc/34/86/24/572348624.db2.gz ADNKDOXUNLSHKL-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H]1C 52277357 572342484 /nfs/dbraw/zinc/34/24/84/572342484.db2.gz GJNZKIZIQUSRLD-WCBMZHEXSA-N 2 1 179.267 1.190 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+]([C@@H]2C[C@H]2C)C1 52299009 572342514 /nfs/dbraw/zinc/34/25/14/572342514.db2.gz BWGYBXJUXICSRZ-WRWGMCAJSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+]([C@@H]2C[C@@H]2C)C1 52299011 572342586 /nfs/dbraw/zinc/34/25/86/572342586.db2.gz BWGYBXJUXICSRZ-WHOHXGKFSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83606806 572343070 /nfs/dbraw/zinc/34/30/70/572343070.db2.gz OSFSLIZCSSKQJA-SNVBAGLBSA-N 2 1 172.316 1.559 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)CC(C)C 83606816 572343091 /nfs/dbraw/zinc/34/30/91/572343091.db2.gz HODRKRYNCNMTAT-SNVBAGLBSA-N 2 1 172.316 1.559 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CC[C@H](C)C1 83607528 572343133 /nfs/dbraw/zinc/34/31/33/572343133.db2.gz RDQMGMWRMBVBJJ-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[N@@H+](C[C@@H](CC)C[NH3+])C1CC1 83606792 572343147 /nfs/dbraw/zinc/34/31/47/572343147.db2.gz NYEWSOPMPAPNJA-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC)C[C@H](C[NH3+])C(C)C 83606774 572343230 /nfs/dbraw/zinc/34/32/30/572343230.db2.gz RLHNPZXYRXSFMZ-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83606830 572343283 /nfs/dbraw/zinc/34/32/83/572343283.db2.gz NZIDBKMZIVEWLZ-WDEREUQCSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)C(C)C 83606475 572343477 /nfs/dbraw/zinc/34/34/77/572343477.db2.gz KKASQUAKBROIPT-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP CC[N@@H+](C[C@H](C[NH3+])C(C)C)C(C)C 83606738 572343553 /nfs/dbraw/zinc/34/35/53/572343553.db2.gz IRZSXYLPDCRIRV-NSHDSACASA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1C[C@@H](C)C[C@@H](C)C1 83606525 572343565 /nfs/dbraw/zinc/34/35/65/572343565.db2.gz KWCWERKXZMASGN-GRYCIOLGSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCCC[C@@H]1C 83606302 572343652 /nfs/dbraw/zinc/34/36/52/572343652.db2.gz LFKSSLSCBZYESE-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](CC)C[NH3+] 83606431 572343715 /nfs/dbraw/zinc/34/37/15/572343715.db2.gz HHTRYYHLNWUVGX-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83606435 572343738 /nfs/dbraw/zinc/34/37/38/572343738.db2.gz PPVGQLZKDFPRIT-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)CC1CC1 83607233 572343778 /nfs/dbraw/zinc/34/37/78/572343778.db2.gz HIZCYIOYNLWFOI-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 83607205 572343795 /nfs/dbraw/zinc/34/37/95/572343795.db2.gz XPIYXCMMDVTMFB-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)C1CC1 83606718 572343988 /nfs/dbraw/zinc/34/39/88/572343988.db2.gz GYCCBMDKEHKSHH-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)CCC 83606799 572343997 /nfs/dbraw/zinc/34/39/97/572343997.db2.gz AGHYVRPDHSQTON-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CCCC[C@@H]1C 83606304 572344191 /nfs/dbraw/zinc/34/41/91/572344191.db2.gz LFKSSLSCBZYESE-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H](C[NH3+])C(C)C 83606819 572344289 /nfs/dbraw/zinc/34/42/89/572344289.db2.gz BPYHUFJNLZNBFZ-NSHDSACASA-N 2 1 186.343 1.805 10 0 ADAEMP CC[C@@H](C[NH3+])C[NH2+]Cc1nccs1 83608104 572344250 /nfs/dbraw/zinc/34/42/50/572344250.db2.gz SVHBUEPOEBKAIK-QMMMGPOBSA-N 2 1 199.323 1.218 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CC1CC1 83607238 572344303 /nfs/dbraw/zinc/34/43/03/572344303.db2.gz APHMNUNEDOGMKA-LLVKDONJSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83606829 572344347 /nfs/dbraw/zinc/34/43/47/572344347.db2.gz NZIDBKMZIVEWLZ-GHMZBOCLSA-N 2 1 186.343 1.948 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)C(C)C 83606473 572344381 /nfs/dbraw/zinc/34/43/81/572344381.db2.gz YWKRUAQAKXJQEI-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@H+]1CC[C@H](C)C1 83607522 572344416 /nfs/dbraw/zinc/34/44/16/572344416.db2.gz UWCAUQLACZSEMU-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)C1CC1 83606720 572344470 /nfs/dbraw/zinc/34/44/70/572344470.db2.gz GYCCBMDKEHKSHH-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)CC1CC1 83607228 572344490 /nfs/dbraw/zinc/34/44/90/572344490.db2.gz RFHPBJLIKYZYGD-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[N@@H+](CC)C[C@H](CC)C[NH3+] 83606770 572344508 /nfs/dbraw/zinc/34/45/08/572344508.db2.gz CUPDCXNTWRXNNR-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H](CC)C[NH3+] 83606768 572344559 /nfs/dbraw/zinc/34/45/59/572344559.db2.gz CUPDCXNTWRXNNR-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 83607215 572344636 /nfs/dbraw/zinc/34/46/36/572344636.db2.gz NQULQKJKXGQNGI-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@H+]1CC[C@H](C)C1 83607521 572344701 /nfs/dbraw/zinc/34/47/01/572344701.db2.gz UWCAUQLACZSEMU-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1CC1 83607037 572346359 /nfs/dbraw/zinc/34/63/59/572346359.db2.gz GESVYTLNDJOVBF-CMPLNLGQSA-N 2 1 198.354 1.948 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)CC(C)C 83606810 572344736 /nfs/dbraw/zinc/34/47/36/572344736.db2.gz ARAQWTZHRAZOTD-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)CC 83606696 572344757 /nfs/dbraw/zinc/34/47/57/572344757.db2.gz DXULQTGAOXMFOM-SECBINFHSA-N 2 1 158.289 1.313 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)C(C)C 83607046 572344774 /nfs/dbraw/zinc/34/47/74/572344774.db2.gz CONBPDYXYCSTLK-WDEREUQCSA-N 2 1 186.343 1.948 10 0 ADAEMP CSCCC[N@@H+](C)C/C=C\C[NH3+] 307980033 572344780 /nfs/dbraw/zinc/34/47/80/572344780.db2.gz NGOBSFOJMZRBBC-ARJAWSKDSA-N 2 1 188.340 1.186 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C(C)C 83607044 572344789 /nfs/dbraw/zinc/34/47/89/572344789.db2.gz CONBPDYXYCSTLK-QWRGUYRKSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+](C)Cc1ccoc1 83607638 572344812 /nfs/dbraw/zinc/34/48/12/572344812.db2.gz FYYFBPZDWPJBAZ-SNVBAGLBSA-N 2 1 196.294 1.696 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)Cc1ccoc1 83607638 572344815 /nfs/dbraw/zinc/34/48/15/572344815.db2.gz FYYFBPZDWPJBAZ-SNVBAGLBSA-N 2 1 196.294 1.696 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](CC)CC(C)C 83606836 572344839 /nfs/dbraw/zinc/34/48/39/572344839.db2.gz YAMXBOQJEUPLSC-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CC1CC1 83607236 572345398 /nfs/dbraw/zinc/34/53/98/572345398.db2.gz APHMNUNEDOGMKA-NSHDSACASA-N 2 1 184.327 1.559 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](C[NH3+])C(C)C 83606437 572344944 /nfs/dbraw/zinc/34/49/44/572344944.db2.gz PPVGQLZKDFPRIT-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+](C)C[C@H](C)CC 83606869 572344960 /nfs/dbraw/zinc/34/49/60/572344960.db2.gz ZXGRUKUUXXAXHZ-MNOVXSKESA-N 2 1 186.343 1.949 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](C)C1 83606358 572345008 /nfs/dbraw/zinc/34/50/08/572345008.db2.gz HPOCDCHLPGGEDP-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1CC1 83607034 572345021 /nfs/dbraw/zinc/34/50/21/572345021.db2.gz OMHQLNJIMPZOEJ-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1CC1 83607036 572345057 /nfs/dbraw/zinc/34/50/57/572345057.db2.gz GESVYTLNDJOVBF-JQWIXIFHSA-N 2 1 198.354 1.948 10 0 ADAEMP CC[C@H](C[NH3+])C[NH2+]Cc1nccs1 83608106 572345085 /nfs/dbraw/zinc/34/50/85/572345085.db2.gz SVHBUEPOEBKAIK-MRVPVSSYSA-N 2 1 199.323 1.218 10 0 ADAEMP CCC[N@@H+](C)C[C@H](CC)C[NH3+] 83606804 572345106 /nfs/dbraw/zinc/34/51/06/572345106.db2.gz YREVSQPZMGQFKT-SECBINFHSA-N 2 1 158.289 1.313 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)C(C)C 83606470 572345120 /nfs/dbraw/zinc/34/51/20/572345120.db2.gz YWKRUAQAKXJQEI-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CCC[C@H](C)C1 83606357 572345161 /nfs/dbraw/zinc/34/51/61/572345161.db2.gz WLMXJEGZLPFTTN-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[N@@H+](C[C@H](C[NH3+])C(C)C)C1CC1 83606717 572345174 /nfs/dbraw/zinc/34/51/74/572345174.db2.gz CEUVQZFHYUOQGD-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)CCC 83606801 572345198 /nfs/dbraw/zinc/34/51/98/572345198.db2.gz AGHYVRPDHSQTON-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CC[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83606702 572345206 /nfs/dbraw/zinc/34/52/06/572345206.db2.gz KLJFQCLXJPQRHM-SECBINFHSA-N 2 1 158.289 1.169 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1CC 83607223 572345236 /nfs/dbraw/zinc/34/52/36/572345236.db2.gz MXAPQRUFHMRMQX-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)C1CC1 52445323 572345269 /nfs/dbraw/zinc/34/52/69/572345269.db2.gz VLCRBNXCZJZDDN-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)C(C)C 83606477 572345284 /nfs/dbraw/zinc/34/52/84/572345284.db2.gz KKASQUAKBROIPT-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)C1CC1 83606723 572345310 /nfs/dbraw/zinc/34/53/10/572345310.db2.gz WRALZKORTCEVEP-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)CC1CC1 83607232 572345337 /nfs/dbraw/zinc/34/53/37/572345337.db2.gz HIZCYIOYNLWFOI-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)C1CCCC1 83606755 572345465 /nfs/dbraw/zinc/34/54/65/572345465.db2.gz KTIHVFKLKMMSHW-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)CC 83606694 572345481 /nfs/dbraw/zinc/34/54/81/572345481.db2.gz DXULQTGAOXMFOM-VIFPVBQESA-N 2 1 158.289 1.313 10 0 ADAEMP CCC[N@@H+](C[C@H](CC)C[NH3+])C1CC1 83606794 572345553 /nfs/dbraw/zinc/34/55/53/572345553.db2.gz NYEWSOPMPAPNJA-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@@H+](C)C1CC1 52445216 572345572 /nfs/dbraw/zinc/34/55/72/572345572.db2.gz ZGOPKHGKPNBGBF-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C1CC1 83606714 572345603 /nfs/dbraw/zinc/34/56/03/572345603.db2.gz CEUVQZFHYUOQGD-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 83607212 572345639 /nfs/dbraw/zinc/34/56/39/572345639.db2.gz LULWHZQLZLBLOC-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](CC)C1CC1 83606712 572345753 /nfs/dbraw/zinc/34/57/53/572345753.db2.gz CRYJCEBWBFYUJQ-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C(C)C 83606481 572345778 /nfs/dbraw/zinc/34/57/78/572345778.db2.gz JITJDICZGHSCJT-SNVBAGLBSA-N 2 1 172.316 1.558 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H](C[NH3+])C(C)C 83606817 572345792 /nfs/dbraw/zinc/34/57/92/572345792.db2.gz BPYHUFJNLZNBFZ-LLVKDONJSA-N 2 1 186.343 1.805 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](CC)C(C)C 83606732 572345810 /nfs/dbraw/zinc/34/58/10/572345810.db2.gz NQVYKWWLSUUANQ-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@@H](C)C1 83607529 572345832 /nfs/dbraw/zinc/34/58/32/572345832.db2.gz GKGDCKORTNUCOU-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](CC)C1CC1 83606709 572345876 /nfs/dbraw/zinc/34/58/76/572345876.db2.gz CRYJCEBWBFYUJQ-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C)C[C@H](C[NH3+])C(C)C 83606808 572345897 /nfs/dbraw/zinc/34/58/97/572345897.db2.gz OSFSLIZCSSKQJA-JTQLQIEISA-N 2 1 172.316 1.559 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+](C)Cc1ccco1 83606917 572345923 /nfs/dbraw/zinc/34/59/23/572345923.db2.gz GSJROMLOKWKZQU-SNVBAGLBSA-N 2 1 196.294 1.696 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)Cc1ccco1 83606917 572345927 /nfs/dbraw/zinc/34/59/27/572345927.db2.gz GSJROMLOKWKZQU-SNVBAGLBSA-N 2 1 196.294 1.696 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](CC)C1CC1 83606708 572345964 /nfs/dbraw/zinc/34/59/64/572345964.db2.gz HGFJRVHXBBBGGH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](CC)C[NH3+] 83606803 572346019 /nfs/dbraw/zinc/34/60/19/572346019.db2.gz YREVSQPZMGQFKT-VIFPVBQESA-N 2 1 158.289 1.313 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+](C)Cc1ccoc1 83607635 572346031 /nfs/dbraw/zinc/34/60/31/572346031.db2.gz FYYFBPZDWPJBAZ-JTQLQIEISA-N 2 1 196.294 1.696 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)Cc1ccoc1 83607635 572346034 /nfs/dbraw/zinc/34/60/34/572346034.db2.gz FYYFBPZDWPJBAZ-JTQLQIEISA-N 2 1 196.294 1.696 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H]1C 83607214 572346048 /nfs/dbraw/zinc/34/60/48/572346048.db2.gz NQULQKJKXGQNGI-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CC[C@H](C)C1 83607532 572346062 /nfs/dbraw/zinc/34/60/62/572346062.db2.gz GKGDCKORTNUCOU-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[N@@H+](C[C@@H](C[NH3+])C(C)C)C(C)C 83606736 572346315 /nfs/dbraw/zinc/34/63/15/572346315.db2.gz IRZSXYLPDCRIRV-LLVKDONJSA-N 2 1 186.343 1.948 10 0 ADAEMP CCC[N@H+](C)[C@@H](C)C[NH2+]CC 52444391 572346170 /nfs/dbraw/zinc/34/61/70/572346170.db2.gz DDRLMMZNWXOXNB-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)C[NH2+]CC 52444391 572346173 /nfs/dbraw/zinc/34/61/73/572346173.db2.gz DDRLMMZNWXOXNB-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CC[C@H](C)C1 83607525 572346187 /nfs/dbraw/zinc/34/61/87/572346187.db2.gz RDQMGMWRMBVBJJ-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)CC(C)(C)C 83608588 572346219 /nfs/dbraw/zinc/34/62/19/572346219.db2.gz QUQYIPJJVYLXEU-SNVBAGLBSA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+](C)C1CC1 52445435 572346224 /nfs/dbraw/zinc/34/62/24/572346224.db2.gz YDYFZVLXGLALBR-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H](CC)C[NH3+] 83606873 572346258 /nfs/dbraw/zinc/34/62/58/572346258.db2.gz ZXGRUKUUXXAXHZ-QWRGUYRKSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)C1CC1 83606721 572346348 /nfs/dbraw/zinc/34/63/48/572346348.db2.gz WRALZKORTCEVEP-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)CC(C)(C)C 83608587 572346404 /nfs/dbraw/zinc/34/64/04/572346404.db2.gz QUQYIPJJVYLXEU-JTQLQIEISA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)CC(C)C 83606814 572346423 /nfs/dbraw/zinc/34/64/23/572346423.db2.gz HODRKRYNCNMTAT-JTQLQIEISA-N 2 1 172.316 1.559 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCC[C@H](C)C1 83606354 572346609 /nfs/dbraw/zinc/34/66/09/572346609.db2.gz WLMXJEGZLPFTTN-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](CC)CC(C)C 83606837 572346639 /nfs/dbraw/zinc/34/66/39/572346639.db2.gz YAMXBOQJEUPLSC-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+](C)Cc1ccco1 83606915 572346675 /nfs/dbraw/zinc/34/66/75/572346675.db2.gz GSJROMLOKWKZQU-JTQLQIEISA-N 2 1 196.294 1.696 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)Cc1ccco1 83606915 572346677 /nfs/dbraw/zinc/34/66/77/572346677.db2.gz GSJROMLOKWKZQU-JTQLQIEISA-N 2 1 196.294 1.696 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 83607208 572346733 /nfs/dbraw/zinc/34/67/33/572346733.db2.gz XPIYXCMMDVTMFB-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H](C[NH3+])C(C)C 83606773 572347087 /nfs/dbraw/zinc/34/70/87/572347087.db2.gz RLHNPZXYRXSFMZ-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)C1CC1 83607032 572346930 /nfs/dbraw/zinc/34/69/30/572346930.db2.gz OMHQLNJIMPZOEJ-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](C)C1 83606360 572346995 /nfs/dbraw/zinc/34/69/95/572346995.db2.gz HPOCDCHLPGGEDP-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C(C)C 83606479 572347033 /nfs/dbraw/zinc/34/70/33/572347033.db2.gz JITJDICZGHSCJT-JTQLQIEISA-N 2 1 172.316 1.558 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)C1CC1 83606725 572347057 /nfs/dbraw/zinc/34/70/57/572347057.db2.gz CMXGTPDQWRPCKU-VIFPVBQESA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCC[C@H]1CC 83607221 572347099 /nfs/dbraw/zinc/34/70/99/572347099.db2.gz MXAPQRUFHMRMQX-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 83607210 572347063 /nfs/dbraw/zinc/34/70/63/572347063.db2.gz LULWHZQLZLBLOC-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C)CCC[NH2+]CC(C)C 52444444 572347065 /nfs/dbraw/zinc/34/70/65/572347065.db2.gz KSASWZQOIXWGNQ-UHFFFAOYSA-N 2 1 186.343 1.964 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1C[C@@H](C)C[C@@H](C)C1 83606523 572347182 /nfs/dbraw/zinc/34/71/82/572347182.db2.gz KWCWERKXZMASGN-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](CC)C(C)C 83606734 572347207 /nfs/dbraw/zinc/34/72/07/572347207.db2.gz NQVYKWWLSUUANQ-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)C1CCCC1 83606757 572347256 /nfs/dbraw/zinc/34/72/56/572347256.db2.gz KTIHVFKLKMMSHW-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](CC)C1CC1 83606706 572347281 /nfs/dbraw/zinc/34/72/81/572347281.db2.gz HGFJRVHXBBBGGH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)CCC(C)C 83607682 572347306 /nfs/dbraw/zinc/34/73/06/572347306.db2.gz XVAXIZOEDGIWTL-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CCCC[N@@H+](CC)C[C@@H](C)C[NH2+]C 52418695 572347314 /nfs/dbraw/zinc/34/73/14/572347314.db2.gz LGQFFZFBZSPEIS-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[C@@H]([NH3+])CC)C1 238217734 572347316 /nfs/dbraw/zinc/34/73/16/572347316.db2.gz GIQIQVWWAWBBLZ-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@@H](C[NH3+])C(C)C 83609430 572347691 /nfs/dbraw/zinc/34/76/91/572347691.db2.gz QUVLEJURCGLAQJ-GFCCVEGCSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](CC1CC1)C1CC1 83609649 572347815 /nfs/dbraw/zinc/34/78/15/572347815.db2.gz GMWUCMMLOANCCL-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[C@@H]([NH3+])CC)C1 238218039 572348005 /nfs/dbraw/zinc/34/80/05/572348005.db2.gz GIQIQVWWAWBBLZ-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)C1CC1 52445673 572348006 /nfs/dbraw/zinc/34/80/06/572348006.db2.gz LQTCILBBFRCIKD-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCCC1(C)C 83609158 572348039 /nfs/dbraw/zinc/34/80/39/572348039.db2.gz GMVMGGGWUGKAOL-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[N@H+](C)[C@H](C)C[NH2+]C(C)C 52452464 572348218 /nfs/dbraw/zinc/34/82/18/572348218.db2.gz LPXMPEVSMXMZDI-LLVKDONJSA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H](C)C[NH2+]C(C)C 52452464 572348220 /nfs/dbraw/zinc/34/82/20/572348220.db2.gz LPXMPEVSMXMZDI-LLVKDONJSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+]CC[C@@H](C)[N@@H+](C)CC 52446402 572348452 /nfs/dbraw/zinc/34/84/52/572348452.db2.gz AIJPMGSUNCOGQR-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](CC)CC1CC1 83609427 572348532 /nfs/dbraw/zinc/34/85/32/572348532.db2.gz UCLWSGKYUWCHCS-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CCCC1(C)C 83609160 572348673 /nfs/dbraw/zinc/34/86/73/572348673.db2.gz GMVMGGGWUGKAOL-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 83609406 572348904 /nfs/dbraw/zinc/34/89/04/572348904.db2.gz FXMPVQXOLUPWLM-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)[C@@H](C)CC[NH2+]C 52454033 572348986 /nfs/dbraw/zinc/34/89/86/572348986.db2.gz HHUAOWNUJOPWQM-MNOVXSKESA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)CC1CCC1 83609000 572349032 /nfs/dbraw/zinc/34/90/32/572349032.db2.gz NNJNKUWOFUZUQR-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[N@@H+](CCCCC[NH2+]C)C1CC1 52452162 572349034 /nfs/dbraw/zinc/34/90/34/572349034.db2.gz NPWGEYIDLWAQRM-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)CC1CCC1 83608998 572349071 /nfs/dbraw/zinc/34/90/71/572349071.db2.gz NNJNKUWOFUZUQR-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+]CC[C@@H](C)[N@@H+](C)C1CC1 52445667 572349116 /nfs/dbraw/zinc/34/91/16/572349116.db2.gz TZVGHHSUMLDHMW-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C[C@@H]1C[C@H]1C 83609415 572349241 /nfs/dbraw/zinc/34/92/41/572349241.db2.gz BULOWFHYMVUIMG-GRYCIOLGSA-N 2 1 198.354 1.805 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C[C@H]1C[C@H]1C 83609412 572349359 /nfs/dbraw/zinc/34/93/59/572349359.db2.gz BULOWFHYMVUIMG-IJLUTSLNSA-N 2 1 198.354 1.805 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C[C@H]1C[C@@H]1C 83609414 572349581 /nfs/dbraw/zinc/34/95/81/572349581.db2.gz BULOWFHYMVUIMG-QJPTWQEYSA-N 2 1 198.354 1.805 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@H](C)C[NH2+]C 52449522 572349755 /nfs/dbraw/zinc/34/97/55/572349755.db2.gz ILOMVDBEBGXLFA-NSHDSACASA-N 2 1 186.343 1.820 10 0 ADAEMP C[N@H+]1CC[C@H]2[NH2+]C(C)(C)CC[C@@H]2C1 251178150 572349773 /nfs/dbraw/zinc/34/97/73/572349773.db2.gz QGEHTOUWCMUMAZ-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 83609410 572349774 /nfs/dbraw/zinc/34/97/74/572349774.db2.gz AGCCNIHEVJFTKO-AXFHLTTASA-N 2 1 184.327 1.559 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)CCC[NH3+] 52446170 572349897 /nfs/dbraw/zinc/34/98/97/572349897.db2.gz XLSHUGBGENVBBG-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[N@@H+](C)[C@H](C)CCC[NH3+] 52446173 572350018 /nfs/dbraw/zinc/35/00/18/572350018.db2.gz XLSHUGBGENVBBG-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](CC)CC1CC1 83609424 572350047 /nfs/dbraw/zinc/35/00/47/572350047.db2.gz UCLWSGKYUWCHCS-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1C 83609417 572350416 /nfs/dbraw/zinc/35/04/16/572350416.db2.gz BULOWFHYMVUIMG-SDDRHHMPSA-N 2 1 198.354 1.805 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)CC1CCC1 83609004 572350463 /nfs/dbraw/zinc/35/04/63/572350463.db2.gz ZMOVZPBHMWRPTE-GFCCVEGCSA-N 2 1 198.354 1.949 10 0 ADAEMP CCCCC[N@H+](C)[C@@H](C)C[NH2+]C 52454575 572350465 /nfs/dbraw/zinc/35/04/65/572350465.db2.gz YGOQJGUSIMZKPA-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCCCC[N@@H+](C)[C@@H](C)C[NH2+]C 52454575 572350467 /nfs/dbraw/zinc/35/04/67/572350467.db2.gz YGOQJGUSIMZKPA-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@@H+](C)CC1CCC1 83609002 572350687 /nfs/dbraw/zinc/35/06/87/572350687.db2.gz ZMOVZPBHMWRPTE-LBPRGKRZSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)CCC[NH2+]C 52452119 572350987 /nfs/dbraw/zinc/35/09/87/572350987.db2.gz PUTCYCXXBUUNJZ-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](CC1CC1)C1CC1 83609651 572351253 /nfs/dbraw/zinc/35/12/53/572351253.db2.gz GMWUCMMLOANCCL-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@H](C[NH3+])C(C)C 83609432 572351359 /nfs/dbraw/zinc/35/13/59/572351359.db2.gz QUVLEJURCGLAQJ-LBPRGKRZSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)CCC[NH3+] 52448433 572351439 /nfs/dbraw/zinc/35/14/39/572351439.db2.gz UPRLQZSYJCPYQA-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CC[NH2+]CCCC[N@@H+](C)CC(C)C 52452416 572351802 /nfs/dbraw/zinc/35/18/02/572351802.db2.gz BEMSQDPSIHRDOO-UHFFFAOYSA-N 2 1 186.343 1.964 10 0 ADAEMP C[C@@H]1CC[N@@H+](Cc2ccoc2C[NH3+])C1 52484440 572352644 /nfs/dbraw/zinc/35/26/44/572352644.db2.gz QKLAXDZHPOGGDU-SECBINFHSA-N 2 1 194.278 1.580 10 0 ADAEMP COC[C@H](C)[N@@H+](C)[C@@H](C)CCC[NH3+] 52511739 572352782 /nfs/dbraw/zinc/35/27/82/572352782.db2.gz VYSXISKHNIJINQ-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)C[NH2+]CC[N@H+](C)[C@@H](C)C1CC1 52479024 572354837 /nfs/dbraw/zinc/35/48/37/572354837.db2.gz PWQAVVUAMBBMNR-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[NH2+]CC[N@@H+](C)[C@@H](C)C1CC1 52479024 572354840 /nfs/dbraw/zinc/35/48/40/572354840.db2.gz PWQAVVUAMBBMNR-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CC[N@@H+](Cc2cc(C[NH3+])co2)C1 52484532 572354880 /nfs/dbraw/zinc/35/48/80/572354880.db2.gz OYUHBPSIVXQWDW-SECBINFHSA-N 2 1 194.278 1.580 10 0 ADAEMP C[C@H]1CC[N@@H+](Cc2cc(C[NH3+])co2)C1 52484533 572355942 /nfs/dbraw/zinc/35/59/42/572355942.db2.gz OYUHBPSIVXQWDW-VIFPVBQESA-N 2 1 194.278 1.580 10 0 ADAEMP CC(C)[N@@H+](C)CCC(C)(C)C[NH3+] 83636794 572355021 /nfs/dbraw/zinc/35/50/21/572355021.db2.gz BMDWLNPRLBFGPR-UHFFFAOYSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)CC1CC1 52483659 572355150 /nfs/dbraw/zinc/35/51/50/572355150.db2.gz KVUQJJACJWVSDV-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP C[C@H]1CC[N@@H+](Cc2ccoc2C[NH3+])C1 52484441 572355539 /nfs/dbraw/zinc/35/55/39/572355539.db2.gz QKLAXDZHPOGGDU-VIFPVBQESA-N 2 1 194.278 1.580 10 0 ADAEMP C[NH2+]CCCCC[N@H+]1CC[C@@H](C)C1 52484570 572355827 /nfs/dbraw/zinc/35/58/27/572355827.db2.gz PYXBKHLOZLDMOU-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP Cc1cc(C[NH2+]C[C@H](C)[NH3+])sc1C 83632814 572356258 /nfs/dbraw/zinc/35/62/58/572356258.db2.gz SMYHBUIVKPLTQS-QMMMGPOBSA-N 2 1 198.335 1.802 10 0 ADAEMP C[N@@H+](CCC(C)(C)C[NH3+])CC1CC1 83637016 572356317 /nfs/dbraw/zinc/35/63/17/572356317.db2.gz QHZORWYNZWDZIV-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[N@@H+](C)CCC(C)(C)C[NH3+] 83636876 572356336 /nfs/dbraw/zinc/35/63/36/572356336.db2.gz CSKLRMSOLDAGSJ-UHFFFAOYSA-N 2 1 186.343 1.949 10 0 ADAEMP C[N@@H+](CCC(C)(C)C[NH3+])C1CC1 83636858 572356349 /nfs/dbraw/zinc/35/63/49/572356349.db2.gz PWSBXKNMCXPGOD-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC(C)(C)C[NH3+])C1 83637021 572356882 /nfs/dbraw/zinc/35/68/82/572356882.db2.gz GRZZWJJEUYHJLX-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC(C)(C)C[NH3+])C1 83637023 572356954 /nfs/dbraw/zinc/35/69/54/572356954.db2.gz GRZZWJJEUYHJLX-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP Cc1cc(C[NH2+]C[C@@H](C)[NH3+])sc1C 83632813 572357232 /nfs/dbraw/zinc/35/72/32/572357232.db2.gz SMYHBUIVKPLTQS-MRVPVSSYSA-N 2 1 198.335 1.802 10 0 ADAEMP CC[N@@H+](C)CCC(C)(C)C[NH3+] 83636855 572357274 /nfs/dbraw/zinc/35/72/74/572357274.db2.gz FDMCOYUPNVKKGU-UHFFFAOYSA-N 2 1 158.289 1.313 10 0 ADAEMP Cc1cc(C[NH2+]CC[NH3+])sc1C 83632809 572357436 /nfs/dbraw/zinc/35/74/36/572357436.db2.gz GPFVFSFRLSKDFE-UHFFFAOYSA-N 2 1 184.308 1.413 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC(C)(C)C[NH3+] 83637009 572357489 /nfs/dbraw/zinc/35/74/89/572357489.db2.gz DKKQVZBRXISNNM-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](CCC(C)(C)C[NH3+])C1CC1 83636856 572357549 /nfs/dbraw/zinc/35/75/49/572357549.db2.gz HSTRBBGGGAOEQV-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCC(C)(C)C[NH3+] 83637343 572359423 /nfs/dbraw/zinc/35/94/23/572359423.db2.gz COLSXLPGQSIUDE-QWRGUYRKSA-N 2 1 198.354 1.949 10 0 ADAEMP CCc1[nH+]ccn1CCC(C)(C)C[NH3+] 83637561 572361283 /nfs/dbraw/zinc/36/12/83/572361283.db2.gz ABBGAUOKPYLTQT-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC(C)(C)C[NH3+] 83637342 572360285 /nfs/dbraw/zinc/36/02/85/572360285.db2.gz COLSXLPGQSIUDE-MNOVXSKESA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC(C)(C)C[NH3+] 83637338 572360533 /nfs/dbraw/zinc/36/05/33/572360533.db2.gz COLSXLPGQSIUDE-WDEREUQCSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@@]1(C)CC[N@@H+](C)[C@@H](C)C1 76592004 572360894 /nfs/dbraw/zinc/36/08/94/572360894.db2.gz FYCXTMREAZMLOW-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@@H]1[C@H](CC[NH3+])CCC[N@H+]1C 76592114 572361207 /nfs/dbraw/zinc/36/12/07/572361207.db2.gz IMMOWRLTQGRAES-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+][C@@]1(C)CCC[N@@H+](C)CC1 76591994 572361231 /nfs/dbraw/zinc/36/12/31/572361231.db2.gz YWGJIIKNVZBPOJ-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[C@@]1([NH3+])CCCC[N@@H+](C)C1 76592070 572361430 /nfs/dbraw/zinc/36/14/30/572361430.db2.gz LKTXIQUJPOFQFG-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP C[NH2+][C@@]1(C)CC[N@@H+](C)[C@H](C)C1 76592001 572361361 /nfs/dbraw/zinc/36/13/61/572361361.db2.gz FYCXTMREAZMLOW-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@H]1CC[C@@H](CC[NH3+])C[N@H+]1C 76592111 572361414 /nfs/dbraw/zinc/36/14/14/572361414.db2.gz HRAATOHFMWMIOP-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CSC[C@H]1[N@@H+](C)CCC[NH3+] 307997637 572362336 /nfs/dbraw/zinc/36/23/36/572362336.db2.gz DCONKGRWIHZSSD-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@H]1[C@@H](CC[NH3+])CCC[N@H+]1C 76592123 572361520 /nfs/dbraw/zinc/36/15/20/572361520.db2.gz IMMOWRLTQGRAES-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CSC[C@@H]1[N@@H+](C)CCC[NH3+] 307997623 572361554 /nfs/dbraw/zinc/36/15/54/572361554.db2.gz DCONKGRWIHZSSD-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@H]1CSC[C@@H]1[N@@H+](C)CCC[NH3+] 307997633 572361580 /nfs/dbraw/zinc/36/15/80/572361580.db2.gz DCONKGRWIHZSSD-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP C[NH2+][C@]1(C)CCC[N@@H+](C)CC1 76591997 572361661 /nfs/dbraw/zinc/36/16/61/572361661.db2.gz YWGJIIKNVZBPOJ-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H]1CC[C@@H](CC[NH3+])C[N@H+]1C 76592109 572361789 /nfs/dbraw/zinc/36/17/89/572361789.db2.gz HRAATOHFMWMIOP-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@@](C)([NH3+])C1 76592087 572361832 /nfs/dbraw/zinc/36/18/32/572361832.db2.gz GMLAVKPPXOSAAC-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+][C@@]1(C)CCCC[N@H+](C)C1 76591988 572362010 /nfs/dbraw/zinc/36/20/10/572362010.db2.gz YGIOEZOREGEFRL-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[NH2+][C@@]1(C)CCCC[N@@H+](C)C1 76591988 572362014 /nfs/dbraw/zinc/36/20/14/572362014.db2.gz YGIOEZOREGEFRL-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@H]1CSC[C@H]1[N@@H+](C)CCC[NH3+] 307997629 572362075 /nfs/dbraw/zinc/36/20/75/572362075.db2.gz DCONKGRWIHZSSD-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[C@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76591956 572362150 /nfs/dbraw/zinc/36/21/50/572362150.db2.gz HASQBNUDKVMNFH-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76591956 572362153 /nfs/dbraw/zinc/36/21/53/572362153.db2.gz HASQBNUDKVMNFH-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)CC[NH2+]C 52592964 572362167 /nfs/dbraw/zinc/36/21/67/572362167.db2.gz VVGONLAEGZBJDX-VIFPVBQESA-N 2 1 181.283 1.616 10 0 ADAEMP CCCC[N@H+]1CCC[C@@](F)(C[NH3+])C1 238220661 572362276 /nfs/dbraw/zinc/36/22/76/572362276.db2.gz LVRBIPLREUGOSB-SNVBAGLBSA-N 2 1 188.290 1.549 10 0 ADAEMP C[N@H+]1CCCC[C@H]([NH3+])CCC1 76592125 572362312 /nfs/dbraw/zinc/36/23/12/572362312.db2.gz RGGKMLFTEOZQIN-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP C[C@@H]1[C@@H](CC[NH3+])CCC[N@H+]1C 76592120 572362317 /nfs/dbraw/zinc/36/23/17/572362317.db2.gz IMMOWRLTQGRAES-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](CCC(C)(C)C(N)=[NH2+])CC1CC1 83639546 572362439 /nfs/dbraw/zinc/36/24/39/572362439.db2.gz IOOPDONXNTUUMD-UHFFFAOYSA-N 2 1 197.326 1.680 10 0 ADAEMP CCC[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639491 572362446 /nfs/dbraw/zinc/36/24/46/572362446.db2.gz FCMFHYXMOBMVPJ-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP CC[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639480 572362572 /nfs/dbraw/zinc/36/25/72/572362572.db2.gz GMBVOWRDWVNTTP-UHFFFAOYSA-N 2 1 171.288 1.290 10 0 ADAEMP CC[C@@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76591953 572362602 /nfs/dbraw/zinc/36/26/02/572362602.db2.gz HASQBNUDKVMNFH-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76591953 572362607 /nfs/dbraw/zinc/36/26/07/572362607.db2.gz HASQBNUDKVMNFH-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC(C)(C)C(N)=[NH2+])C1 83639549 572362701 /nfs/dbraw/zinc/36/27/01/572362701.db2.gz FUSQTTNXCZXROW-SECBINFHSA-N 2 1 197.326 1.680 10 0 ADAEMP CC[N@@H+](C)CCCC(C)(C)C[NH3+] 83640765 572362852 /nfs/dbraw/zinc/36/28/52/572362852.db2.gz NVFSZTLIYLSXKP-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP CC(C)C[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639492 572363032 /nfs/dbraw/zinc/36/30/32/572363032.db2.gz XVAPOWPIXJZPBE-UHFFFAOYSA-N 2 1 199.342 1.926 10 0 ADAEMP CC(C)[N@@H+](C)CCC(C)(C)C(N)=[NH2+] 83639463 572363114 /nfs/dbraw/zinc/36/31/14/572363114.db2.gz BQULECMSBDTKGC-UHFFFAOYSA-N 2 1 185.315 1.679 10 0 ADAEMP Cc1[nH+]ccn1CCC(C)(C)C(N)=[NH2+] 83639834 572363181 /nfs/dbraw/zinc/36/31/81/572363181.db2.gz VEGWSXCWXJFUJH-UHFFFAOYSA-N 2 1 194.282 1.544 10 0 ADAEMP C[C@H]1[C@H](CC[NH3+])CCC[N@H+]1C 76592117 572363221 /nfs/dbraw/zinc/36/32/21/572363221.db2.gz IMMOWRLTQGRAES-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC(C)(C)C(N)=[NH2+])C1 83639550 572363284 /nfs/dbraw/zinc/36/32/84/572363284.db2.gz FUSQTTNXCZXROW-VIFPVBQESA-N 2 1 197.326 1.680 10 0 ADAEMP CC[N@@H+](CCC(C)(C)C(N)=[NH2+])C1CC1 83639481 572363361 /nfs/dbraw/zinc/36/33/61/572363361.db2.gz JCSIQFRUIDOTDX-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP C[N@@H+](CCCC(C)(C)C[NH3+])C1CC1 83640769 572363399 /nfs/dbraw/zinc/36/33/99/572363399.db2.gz RNAAIAHWEZXKEK-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC(C)(C)C(N)=[NH2+] 83639543 572363634 /nfs/dbraw/zinc/36/36/34/572363634.db2.gz QJEWSZDUDBZCIT-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CC[NH+](C)C/C=C/C[N@H+](C)CC 307999234 572363682 /nfs/dbraw/zinc/36/36/82/572363682.db2.gz YHJCDGSXTVCOJW-BQYQJAHWSA-N 2 1 170.300 1.446 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC(C)(C)C(N)=[NH2+] 83639542 572363788 /nfs/dbraw/zinc/36/37/88/572363788.db2.gz QJEWSZDUDBZCIT-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H]1CC[C@H](CC[NH3+])C[N@H+]1C 76592102 572363804 /nfs/dbraw/zinc/36/38/04/572363804.db2.gz HRAATOHFMWMIOP-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](CCC(C)(C)C(N)=[NH2+])C1CC1 83639482 572363822 /nfs/dbraw/zinc/36/38/22/572363822.db2.gz XVTGOBFMLGBPES-UHFFFAOYSA-N 2 1 183.299 1.433 10 0 ADAEMP C[NH2+][C@]1(C)CCCC[N@H+](C)C1 76591991 572363854 /nfs/dbraw/zinc/36/38/54/572363854.db2.gz YGIOEZOREGEFRL-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP C[NH2+][C@]1(C)CCCC[N@@H+](C)C1 76591991 572363856 /nfs/dbraw/zinc/36/38/56/572363856.db2.gz YGIOEZOREGEFRL-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[NH+](C)C/C=C\C[N@H+](C)CC 307999235 572363858 /nfs/dbraw/zinc/36/38/58/572363858.db2.gz YHJCDGSXTVCOJW-FPLPWBNLSA-N 2 1 170.300 1.446 10 0 ADAEMP C[NH2+][C@]1(C)CC[N@@H+](C)[C@H](C)C1 76592006 572363879 /nfs/dbraw/zinc/36/38/79/572363879.db2.gz FYCXTMREAZMLOW-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@](C)([NH3+])C1 76592084 572363914 /nfs/dbraw/zinc/36/39/14/572363914.db2.gz GMLAVKPPXOSAAC-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCCC[C@@H]([NH3+])CCC1 76592129 572363952 /nfs/dbraw/zinc/36/39/52/572363952.db2.gz RGGKMLFTEOZQIN-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP C[NH2+][C@]1(C)CC[N@@H+](C)[C@@H](C)C1 76592010 572363981 /nfs/dbraw/zinc/36/39/81/572363981.db2.gz FYCXTMREAZMLOW-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@H]1CC[C@H](CC[NH3+])C[N@H+]1C 76592105 572363987 /nfs/dbraw/zinc/36/39/87/572363987.db2.gz HRAATOHFMWMIOP-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[NH2+]CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 83700582 572364745 /nfs/dbraw/zinc/36/47/45/572364745.db2.gz SOAOGGRVMFVMOU-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+]CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 83700582 572364748 /nfs/dbraw/zinc/36/47/48/572364748.db2.gz SOAOGGRVMFVMOU-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@@H]2CCC[C@H]21 83699999 572365536 /nfs/dbraw/zinc/36/55/36/572365536.db2.gz PCHINULENNUKPX-NWDGAFQWSA-N 2 1 196.338 1.990 10 0 ADAEMP CCCC[N@H+]1CCC[C@](F)(C[NH3+])C1 238220830 572366043 /nfs/dbraw/zinc/36/60/43/572366043.db2.gz LVRBIPLREUGOSB-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP CC[NH2+]CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700578 572367082 /nfs/dbraw/zinc/36/70/82/572367082.db2.gz SOAOGGRVMFVMOU-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+]CC[N@H+]1CCC[C@H]2CCC[C@@H]21 83700578 572367083 /nfs/dbraw/zinc/36/70/83/572367083.db2.gz SOAOGGRVMFVMOU-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@H]2CCC[C@H]21 83699996 572367564 /nfs/dbraw/zinc/36/75/64/572367564.db2.gz PCHINULENNUKPX-VXGBXAGGSA-N 2 1 196.338 1.990 10 0 ADAEMP CCS[C@H]1CC[C@H]([NH2+]CC[NH3+])C1 307994237 572370080 /nfs/dbraw/zinc/37/00/80/572370080.db2.gz AIHVUNKBEZWQAS-IUCAKERBSA-N 2 1 188.340 1.209 10 0 ADAEMP CCS[C@@H]1CC[C@H]([NH2+]CC[NH3+])C1 307994231 572370477 /nfs/dbraw/zinc/37/04/77/572370477.db2.gz AIHVUNKBEZWQAS-DTWKUNHWSA-N 2 1 188.340 1.209 10 0 ADAEMP CCS[C@H]1CC[C@@H]([NH2+]CC[NH3+])C1 307994225 572371073 /nfs/dbraw/zinc/37/10/73/572371073.db2.gz AIHVUNKBEZWQAS-BDAKNGLRSA-N 2 1 188.340 1.209 10 0 ADAEMP C[N@H+]1CCC[C@@]2(C1)[C@H](N)C2(C)C 76597056 572371363 /nfs/dbraw/zinc/37/13/63/572371363.db2.gz ASCDELDXAMBNNC-PSASIEDQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@]2(C1)[C@H]([NH3+])C2(C)C 76597056 572371371 /nfs/dbraw/zinc/37/13/71/572371371.db2.gz ASCDELDXAMBNNC-PSASIEDQSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC1([NH3+])C[C@@H]2CC[C@H](C1)[N@H+]2C 76596829 572371690 /nfs/dbraw/zinc/37/16/90/572371690.db2.gz BDCZBSSKNOJKPO-ULKQDVFKSA-N 2 1 168.284 1.351 10 0 ADAEMP CCS[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C1 307994244 572372146 /nfs/dbraw/zinc/37/21/46/572372146.db2.gz AIHVUNKBEZWQAS-RKDXNWHRSA-N 2 1 188.340 1.209 10 0 ADAEMP C[C@@H]1CC[C@@H]2C[N@@H+](C)CC[C@@H]2[NH2+]1 76597013 572372183 /nfs/dbraw/zinc/37/21/83/572372183.db2.gz BUFNBMZFJKHCBW-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1[C@@H]2C[C@@H](C)[NH2+][C@H]2CC[N@H+]1C 76596930 572372283 /nfs/dbraw/zinc/37/22/83/572372283.db2.gz YYKWERJSLBCOJK-KATARQTJSA-N 2 1 168.284 1.077 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@H](C)[NH2+]C)C1 250317400 572372292 /nfs/dbraw/zinc/37/22/92/572372292.db2.gz MQLYVPSCLGQQNS-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]C(C)(C)C[C@@H]2C1 76596884 572372353 /nfs/dbraw/zinc/37/23/53/572372353.db2.gz DIXYOCXWUCPHAA-BDAKNGLRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1[C@H]2CC[NH2+][C@@H]2C[C@@H](C)[N@@H+]1C 76596865 572372403 /nfs/dbraw/zinc/37/24/03/572372403.db2.gz RYJCRRILGINBGL-UTINFBMNSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@@H]1C[C@H]2CC[N@@H+](C)CC[C@@H]2[NH2+]1 76596915 572372494 /nfs/dbraw/zinc/37/24/94/572372494.db2.gz RZACDENGNOSREP-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[C@H]2C[N@@H+](C)CC[C@@H]2[NH2+]1 76597017 572372561 /nfs/dbraw/zinc/37/25/61/572372561.db2.gz BUFNBMZFJKHCBW-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@@H]([NH3+])CC[C@@H]21 76596836 572372971 /nfs/dbraw/zinc/37/29/71/572372971.db2.gz CFOIKYDHBMJFQO-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+]CC[C@H]1C[C@H]2CCC[N@@H+](C1)C2 76596842 572373037 /nfs/dbraw/zinc/37/30/37/572373037.db2.gz NWAOJAAOUZSYLZ-ZJUUUORDSA-N 2 1 168.284 1.067 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@H]([NH3+])C[C@@H]2CC[N@H+]1C 76596976 572373275 /nfs/dbraw/zinc/37/32/75/572373275.db2.gz HGNKZULSXHOFRW-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1CC[C@H]2CC[NH2+]C[C@@H]2[N@@H+]1C 76597034 572373292 /nfs/dbraw/zinc/37/32/92/572373292.db2.gz GXDPBMDCRDPRTD-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[C@H]2CC[NH2+]C[C@@H]2[N@H+]1C 76597034 572373297 /nfs/dbraw/zinc/37/32/97/572373297.db2.gz GXDPBMDCRDPRTD-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CCC[C@]2(C1)[C@H](N)C2(C)C 76597052 572373376 /nfs/dbraw/zinc/37/33/76/572373376.db2.gz ASCDELDXAMBNNC-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@]2(C1)[C@H]([NH3+])C2(C)C 76597052 572373384 /nfs/dbraw/zinc/37/33/84/572373384.db2.gz ASCDELDXAMBNNC-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](CCCC[N@@H+]2C)[NH2+]1 76596888 572373476 /nfs/dbraw/zinc/37/34/76/572373476.db2.gz WLJHRQYPFRWPEE-KXUCPTDWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](CCCC[N@H+]2C)[NH2+]1 76596888 572373481 /nfs/dbraw/zinc/37/34/81/572373481.db2.gz WLJHRQYPFRWPEE-KXUCPTDWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]C(C)(C)C[C@H]2C1 76596887 572373557 /nfs/dbraw/zinc/37/35/57/572373557.db2.gz DIXYOCXWUCPHAA-IUCAKERBSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[C@@H]2CC[NH2+]C[C@@H]2[N@@H+]1C 76597030 572373622 /nfs/dbraw/zinc/37/36/22/572373622.db2.gz GXDPBMDCRDPRTD-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[C@@H]2CC[NH2+]C[C@@H]2[N@H+]1C 76597030 572373627 /nfs/dbraw/zinc/37/36/27/572373627.db2.gz GXDPBMDCRDPRTD-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[C@H]2[C@H](CCCC[N@@H+]2C)[NH2+]1 76596892 572373716 /nfs/dbraw/zinc/37/37/16/572373716.db2.gz WLJHRQYPFRWPEE-UTLUCORTSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@H]2[C@H](CCCC[N@H+]2C)[NH2+]1 76596892 572373721 /nfs/dbraw/zinc/37/37/21/572373721.db2.gz WLJHRQYPFRWPEE-UTLUCORTSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@H](C)[NH2+]C)C1 250317403 572373875 /nfs/dbraw/zinc/37/38/75/572373875.db2.gz MQLYVPSCLGQQNS-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@H+]1CCC[C@]2(C1)[C@@H](N)C2(C)C 76597049 572373976 /nfs/dbraw/zinc/37/39/76/572373976.db2.gz ASCDELDXAMBNNC-WPRPVWTQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@]2(C1)[C@@H]([NH3+])C2(C)C 76597049 572373984 /nfs/dbraw/zinc/37/39/84/572373984.db2.gz ASCDELDXAMBNNC-WPRPVWTQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]21 76596949 572374106 /nfs/dbraw/zinc/37/41/06/572374106.db2.gz XFIVEHIVTCHBMA-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]C1(C)C[C@@H]2CC[C@H](C1)[N@H+]2C 76597100 572374217 /nfs/dbraw/zinc/37/42/17/572374217.db2.gz LNFBWFRBTSYWJU-ULKQDVFKSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@H]2C[N@@H+](C)CCC[C@@H]2[NH2+]1 76596908 572374260 /nfs/dbraw/zinc/37/42/60/572374260.db2.gz NXTRMSYIDDXMES-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[C@@H]2C[N@@H+](C)[C@H](C)C[C@@H]2[NH2+]1 76596918 572374381 /nfs/dbraw/zinc/37/43/81/572374381.db2.gz JUFKSCZOZGRRSP-KYXWUPHJSA-N 2 1 168.284 1.077 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@@H]([NH3+])C[C@@H]21 76596957 572374699 /nfs/dbraw/zinc/37/46/99/572374699.db2.gz GMCTYWJLXGPXGV-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 76596959 572375082 /nfs/dbraw/zinc/37/50/82/572375082.db2.gz RJTCEFBHMOIAJA-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C)[NH2+]CC[NH2+]CCCF 307995526 572375994 /nfs/dbraw/zinc/37/59/94/572375994.db2.gz BQJJTHXTQJLLCH-UHFFFAOYSA-N 2 1 176.279 1.324 10 0 ADAEMP C[NH2+]CC[NH+]1C2CCCC1CCC2 196761119 572376890 /nfs/dbraw/zinc/37/68/90/572376890.db2.gz ITTJHWHMSNKHOY-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCCCC[C@@H]([NH3+])CCC1 76598278 572379264 /nfs/dbraw/zinc/37/92/64/572379264.db2.gz OKPZWIFIZQJSLH-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76598341 572379606 /nfs/dbraw/zinc/37/96/06/572379606.db2.gz JWBZMQGEKMSRIC-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76598340 572379430 /nfs/dbraw/zinc/37/94/30/572379430.db2.gz JWBZMQGEKMSRIC-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC(CC)[N@@H+](CC)CCC[NH3+] 87156876 572379522 /nfs/dbraw/zinc/37/95/22/572379522.db2.gz UHWIYLIMZSLQCB-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CCC(CC)[NH2+][C@@H](CC)C[NH3+] 87156991 572379766 /nfs/dbraw/zinc/37/97/66/572379766.db2.gz YLFOKMQBFMIBOH-VIFPVBQESA-N 2 1 158.289 1.502 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCF 308005428 572379825 /nfs/dbraw/zinc/37/98/25/572379825.db2.gz LICMJEUGPFFXLE-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[N@H+]1CCCCC[C@H]([NH3+])CCC1 76598276 572379961 /nfs/dbraw/zinc/37/99/61/572379961.db2.gz OKPZWIFIZQJSLH-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@H](CC[NH3+])C1 76598349 572380163 /nfs/dbraw/zinc/38/01/63/572380163.db2.gz MWJHYFYNMVLMAI-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)CC[C@@H]1CC[NH3+] 76598372 572380185 /nfs/dbraw/zinc/38/01/85/572380185.db2.gz LPMAFBQQGAUDDR-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]C(CC)CC 87156997 572380317 /nfs/dbraw/zinc/38/03/17/572380317.db2.gz KLRIFTBARAUFHF-SNVBAGLBSA-N 2 1 172.316 1.892 10 0 ADAEMP C[C@H]1CC[C@H](CCC[NH3+])C[N@H+]1C 76598392 572380373 /nfs/dbraw/zinc/38/03/73/572380373.db2.gz HFFSHBCKSMKJFP-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[N@@H+](C)Cc1ccc[nH+]c1NN 52723722 572380697 /nfs/dbraw/zinc/38/06/97/572380697.db2.gz CWJUEVIQNATOAF-UHFFFAOYSA-N 2 1 194.282 1.207 10 0 ADAEMP C[N@H+]1CCCC[C@@H](CCC[NH3+])C1 76598389 572380439 /nfs/dbraw/zinc/38/04/39/572380439.db2.gz KFQLBNFVRUNVNU-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP CCC[C@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76598345 572380458 /nfs/dbraw/zinc/38/04/58/572380458.db2.gz WVPHRTDFKAJJSY-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1[C@H](CCC[NH3+])CCC[N@H+]1C 76598399 572380534 /nfs/dbraw/zinc/38/05/34/572380534.db2.gz MFYHPBXGVYMVDL-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76598343 572380627 /nfs/dbraw/zinc/38/06/27/572380627.db2.gz WVPHRTDFKAJJSY-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[N@H+](C)Cc1ccc[nH+]c1NN 52723722 572380692 /nfs/dbraw/zinc/38/06/92/572380692.db2.gz CWJUEVIQNATOAF-UHFFFAOYSA-N 2 1 194.282 1.207 10 0 ADAEMP CCC(CC)[NH2+]C[C@@H]1CCCC[NH2+]1 87156853 572380771 /nfs/dbraw/zinc/38/07/71/572380771.db2.gz JDZHKKJAQXJVRF-NSHDSACASA-N 2 1 184.327 1.907 10 0 ADAEMP CCC(CC)[NH2+]C[C@H]1CCCC[NH2+]1 87156855 572380812 /nfs/dbraw/zinc/38/08/12/572380812.db2.gz JDZHKKJAQXJVRF-LLVKDONJSA-N 2 1 184.327 1.907 10 0 ADAEMP C[NH2+][C@@H]1C[N@H+](C)CCC(C)(C)C1 76598353 572380851 /nfs/dbraw/zinc/38/08/51/572380851.db2.gz XWRVDYZBMGRYAI-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@H]1C[N@@H+](C)CCC(C)(C)C1 76598353 572380855 /nfs/dbraw/zinc/38/08/55/572380855.db2.gz XWRVDYZBMGRYAI-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H]1C[N@H+](C)CCC(C)(C)C1 76598352 572380979 /nfs/dbraw/zinc/38/09/79/572380979.db2.gz XWRVDYZBMGRYAI-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H]1C[N@@H+](C)CCC(C)(C)C1 76598352 572380983 /nfs/dbraw/zinc/38/09/83/572380983.db2.gz XWRVDYZBMGRYAI-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C(CC)CC 87156995 572381111 /nfs/dbraw/zinc/38/11/11/572381111.db2.gz KLRIFTBARAUFHF-JTQLQIEISA-N 2 1 172.316 1.892 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+]1CCCF 308005427 572381123 /nfs/dbraw/zinc/38/11/23/572381123.db2.gz LICMJEUGPFFXLE-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP CCC(CC)[NH2+][C@@H](C[NH3+])C1CC1 87156988 572381180 /nfs/dbraw/zinc/38/11/80/572381180.db2.gz MOGJRHKHEAIJRG-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP C[NH2+][C@@]1(C)C[C@H](C)CC[N@H+](C)C1 76598355 572381261 /nfs/dbraw/zinc/38/12/61/572381261.db2.gz QVRDEAOQQUBCNP-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@]1(C)C[C@H](C)CC[N@@H+](C)C1 76598355 572381265 /nfs/dbraw/zinc/38/12/65/572381265.db2.gz QVRDEAOQQUBCNP-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1CC[C@@H](CCC[NH3+])C[N@H+]1C 76598394 572381318 /nfs/dbraw/zinc/38/13/18/572381318.db2.gz HFFSHBCKSMKJFP-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@H+](C)Cc1ccc[nH+]c1NN 52725167 572381342 /nfs/dbraw/zinc/38/13/42/572381342.db2.gz MFHYBOCPCUKEHJ-UHFFFAOYSA-N 2 1 194.282 1.209 10 0 ADAEMP CCC[N@@H+](C)Cc1ccc[nH+]c1NN 52725167 572381347 /nfs/dbraw/zinc/38/13/47/572381347.db2.gz MFHYBOCPCUKEHJ-UHFFFAOYSA-N 2 1 194.282 1.209 10 0 ADAEMP C[C@@H]1[C@@H](CCC[NH3+])CCC[N@H+]1C 76598401 572381604 /nfs/dbraw/zinc/38/16/04/572381604.db2.gz MFYHPBXGVYMVDL-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1[C@@H](CCC[NH3+])CCC[N@H+]1C 76598404 572381658 /nfs/dbraw/zinc/38/16/58/572381658.db2.gz MFYHPBXGVYMVDL-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@H]1CNC 87157699 572381686 /nfs/dbraw/zinc/38/16/86/572381686.db2.gz ZZRLYQDKPFXIGH-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@@H]1CNC 87157697 572381724 /nfs/dbraw/zinc/38/17/24/572381724.db2.gz ZZRLYQDKPFXIGH-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC(CC)[NH2+][C@H](C[NH3+])C(C)C 87157004 572381771 /nfs/dbraw/zinc/38/17/71/572381771.db2.gz YZVDNDQMTUUGJV-SNVBAGLBSA-N 2 1 172.316 1.748 10 0 ADAEMP C[C@H]1[C@@H](CC[NH3+])CC[C@@H](C)[N@@H+]1C 76598382 572382090 /nfs/dbraw/zinc/38/20/90/572382090.db2.gz VGULDHZFZLNPGL-KXUCPTDWSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC(CC)[NH2+][C@H](C[NH3+])C1CC1 87156990 572382217 /nfs/dbraw/zinc/38/22/17/572382217.db2.gz MOGJRHKHEAIJRG-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1[C@H](CCC[NH3+])CCC[N@H+]1C 76598398 572382233 /nfs/dbraw/zinc/38/22/33/572382233.db2.gz MFYHPBXGVYMVDL-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC(CC)[NH2+][C@H](CC)C[NH3+] 87156993 572382375 /nfs/dbraw/zinc/38/23/75/572382375.db2.gz YLFOKMQBFMIBOH-SECBINFHSA-N 2 1 158.289 1.502 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@H](CC[NH3+])C1 76598347 572382471 /nfs/dbraw/zinc/38/24/71/572382471.db2.gz MWJHYFYNMVLMAI-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@H+]1CCCC[C@H](CCC[NH3+])C1 76598386 572382697 /nfs/dbraw/zinc/38/26/97/572382697.db2.gz KFQLBNFVRUNVNU-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP C[C@H]1CC[N@@H+](C)CC[C@@H]1CC[NH3+] 76598374 572382804 /nfs/dbraw/zinc/38/28/04/572382804.db2.gz LPMAFBQQGAUDDR-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[NH2+][C@@]1(C)C[C@@H](C)CC[N@@H+](C)C1 76598358 572382875 /nfs/dbraw/zinc/38/28/75/572382875.db2.gz QVRDEAOQQUBCNP-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@]1(C)C[C@@H](C)CC[N@H+](C)C1 76598358 572382873 /nfs/dbraw/zinc/38/28/73/572382873.db2.gz QVRDEAOQQUBCNP-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)[C@H](C)[NH3+] 87147437 572383172 /nfs/dbraw/zinc/38/31/72/572383172.db2.gz QZLMRYDGRFQCAZ-IUCAKERBSA-N 2 1 181.283 1.429 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H](C)[C@@H](C)[NH3+] 87147393 572383278 /nfs/dbraw/zinc/38/32/78/572383278.db2.gz RBNHGJFZRMHHNR-VHSXEESVSA-N 2 1 195.310 1.819 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H](C)[C@H](C)[NH3+] 87147397 572383662 /nfs/dbraw/zinc/38/36/62/572383662.db2.gz RBNHGJFZRMHHNR-UWVGGRQHSA-N 2 1 195.310 1.819 10 0 ADAEMP CNc1[nH+]cccc1CCC[NH3+] 44283048 572383941 /nfs/dbraw/zinc/38/39/41/572383941.db2.gz IUUSEOURCHZEIA-UHFFFAOYSA-N 2 1 165.240 1.015 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CSC[C@H]1C 308002081 572386418 /nfs/dbraw/zinc/38/64/18/572386418.db2.gz ICEQWGDMBSYJRQ-RKDXNWHRSA-N 2 1 188.340 1.066 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H](C)[C@@H](C)[NH3+] 87147392 572384302 /nfs/dbraw/zinc/38/43/02/572384302.db2.gz RBNHGJFZRMHHNR-NXEZZACHSA-N 2 1 195.310 1.819 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)[C@@H](C)[NH3+] 87147432 572384350 /nfs/dbraw/zinc/38/43/50/572384350.db2.gz QZLMRYDGRFQCAZ-DTWKUNHWSA-N 2 1 181.283 1.429 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)Cc1[nH+]ccn1C 87145510 572384589 /nfs/dbraw/zinc/38/45/89/572384589.db2.gz NVNYEQNDWSUPJU-UWVGGRQHSA-N 2 1 195.310 1.597 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)[C@@H](C)[NH3+] 87147430 572384687 /nfs/dbraw/zinc/38/46/87/572384687.db2.gz QZLMRYDGRFQCAZ-RKDXNWHRSA-N 2 1 181.283 1.429 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H](C)[C@H](C)[NH3+] 87147394 572384692 /nfs/dbraw/zinc/38/46/92/572384692.db2.gz RBNHGJFZRMHHNR-ZJUUUORDSA-N 2 1 195.310 1.819 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)Cc1[nH+]ccn1C 87145514 572384863 /nfs/dbraw/zinc/38/48/63/572384863.db2.gz NVNYEQNDWSUPJU-ZJUUUORDSA-N 2 1 195.310 1.597 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)Cc1[nH+]ccn1C 87145516 572385163 /nfs/dbraw/zinc/38/51/63/572385163.db2.gz NVNYEQNDWSUPJU-NXEZZACHSA-N 2 1 195.310 1.597 10 0 ADAEMP CCC(CC)[N@@H+](C)CC1CC([NH3+])C1 87174328 572385218 /nfs/dbraw/zinc/38/52/18/572385218.db2.gz QCBFZKFPOLYCLZ-UHFFFAOYSA-N 2 1 184.327 1.844 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)[C@H](C)[NH3+] 87147434 572385452 /nfs/dbraw/zinc/38/54/52/572385452.db2.gz QZLMRYDGRFQCAZ-BDAKNGLRSA-N 2 1 181.283 1.429 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)Cc1[nH+]ccn1C 87145511 572385746 /nfs/dbraw/zinc/38/57/46/572385746.db2.gz NVNYEQNDWSUPJU-VHSXEESVSA-N 2 1 195.310 1.597 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CCCC[C@@H]1[NH3+] 60720801 572385821 /nfs/dbraw/zinc/38/58/21/572385821.db2.gz ITAKXPXBGWYTHP-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] 60720800 572386297 /nfs/dbraw/zinc/38/62/97/572386297.db2.gz ITAKXPXBGWYTHP-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CSC[C@H]1C 308002071 572386487 /nfs/dbraw/zinc/38/64/87/572386487.db2.gz ICEQWGDMBSYJRQ-BDAKNGLRSA-N 2 1 188.340 1.066 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CSC[C@@H]1C 308002078 572386568 /nfs/dbraw/zinc/38/65/68/572386568.db2.gz ICEQWGDMBSYJRQ-IUCAKERBSA-N 2 1 188.340 1.066 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CSC[C@@H]1C 308002074 572387062 /nfs/dbraw/zinc/38/70/62/572387062.db2.gz ICEQWGDMBSYJRQ-DTWKUNHWSA-N 2 1 188.340 1.066 10 0 ADAEMP COC[NH+]1CCC(C[NH2+]C2CC2)CC1 83755746 572388766 /nfs/dbraw/zinc/38/87/66/572388766.db2.gz BUGGNHGCZKJGRG-UHFFFAOYSA-N 2 1 198.310 1.054 10 0 ADAEMP C[N@@H+](CCC[NH3+])Cc1ccc(O)cc1 87177946 572389263 /nfs/dbraw/zinc/38/92/63/572389263.db2.gz XYNVYUFHFFLRSF-UHFFFAOYSA-N 2 1 194.278 1.173 10 0 ADAEMP CCC(CC)[C@@H]([NH3+])C[NH+](C)C 87171118 572397764 /nfs/dbraw/zinc/39/77/64/572397764.db2.gz NSKCZNVGGWABDY-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])C[NH2+]CCCF 308007737 572391700 /nfs/dbraw/zinc/39/17/00/572391700.db2.gz NMJCOLGMVXYHNS-QMMMGPOBSA-N 2 1 176.279 1.309 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])C[N@@H+](C)C1CC1 87187163 572392802 /nfs/dbraw/zinc/39/28/02/572392802.db2.gz XQWFKDZVRYBKHN-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](C)(C[NH3+])CCOC 83760359 572393198 /nfs/dbraw/zinc/39/31/98/572393198.db2.gz NNRVBHITFZWWMH-VHSXEESVSA-N 2 1 188.315 1.128 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C1CCCCC1 83760161 572393210 /nfs/dbraw/zinc/39/32/10/572393210.db2.gz OTLHERWRMMXVFQ-NSHDSACASA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)C[C@H](C[NH3+])C[N@@H+](C)C1CC1 87187164 572393469 /nfs/dbraw/zinc/39/34/69/572393469.db2.gz XQWFKDZVRYBKHN-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C1CCCCC1 83760112 572393569 /nfs/dbraw/zinc/39/35/69/572393569.db2.gz VOMXEGNCALPWDU-SECBINFHSA-N 2 1 170.300 1.646 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+][C@@H](C)CC 83760694 572393679 /nfs/dbraw/zinc/39/36/79/572393679.db2.gz MODCHSPSYIRPLJ-DTWKUNHWSA-N 2 1 158.289 1.502 10 0 ADAEMP CC[C@@H](C)[NH2+]C(CC)(CC)C[NH3+] 83760829 572393693 /nfs/dbraw/zinc/39/36/93/572393693.db2.gz SJQJOPMWEOZCEJ-SECBINFHSA-N 2 1 172.316 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](C)(C[NH3+])C(C)C 83760731 572393726 /nfs/dbraw/zinc/39/37/26/572393726.db2.gz BDOYARSLXMQDSF-ZJUUUORDSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](CC)(C[NH3+])C1CC1 83760538 572393784 /nfs/dbraw/zinc/39/37/84/572393784.db2.gz MQEFDFYLKZKDMU-KOLCDFICSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](CC)(C[NH3+])COC 83760642 572394481 /nfs/dbraw/zinc/39/44/81/572394481.db2.gz YRUPQEODBKDTOK-ZJUUUORDSA-N 2 1 188.315 1.128 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83760417 572394122 /nfs/dbraw/zinc/39/41/22/572394122.db2.gz HEQVRJCYFCSCOC-DCAQKATOSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H](C)[NH2+][C@](C)(C[NH3+])CCOC 83760356 572394177 /nfs/dbraw/zinc/39/41/77/572394177.db2.gz NNRVBHITFZWWMH-UWVGGRQHSA-N 2 1 188.315 1.128 10 0 ADAEMP CC(C)(C)[C@H]([NH3+])C[NH2+]CCCF 308007732 572394253 /nfs/dbraw/zinc/39/42/53/572394253.db2.gz NMJCOLGMVXYHNS-MRVPVSSYSA-N 2 1 176.279 1.309 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]Cc1cccs1 83758605 572394254 /nfs/dbraw/zinc/39/42/54/572394254.db2.gz ULWXNLIQRLOCRZ-SECBINFHSA-N 2 1 198.335 1.965 10 0 ADAEMP CC[C@H](C)[NH2+][C@](CC)(C[NH3+])COC 83760649 572394365 /nfs/dbraw/zinc/39/43/65/572394365.db2.gz YRUPQEODBKDTOK-VHSXEESVSA-N 2 1 188.315 1.128 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](C)(C[NH3+])C1CC1 83760850 572394596 /nfs/dbraw/zinc/39/45/96/572394596.db2.gz QFBOGQUANVQPEB-PSASIEDQSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](CC)(C[NH3+])COC 83760647 572394650 /nfs/dbraw/zinc/39/46/50/572394650.db2.gz YRUPQEODBKDTOK-NXEZZACHSA-N 2 1 188.315 1.128 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])C(C)(C)C 83760489 572394729 /nfs/dbraw/zinc/39/47/29/572394729.db2.gz IATVAKKNDMDLSD-DTWKUNHWSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]C1CCCCC1 83760111 572394747 /nfs/dbraw/zinc/39/47/47/572394747.db2.gz VOMXEGNCALPWDU-VIFPVBQESA-N 2 1 170.300 1.646 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C1CCCCC1 83760158 572394758 /nfs/dbraw/zinc/39/47/58/572394758.db2.gz OTLHERWRMMXVFQ-LLVKDONJSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])C(C)C 83760992 572394960 /nfs/dbraw/zinc/39/49/60/572394960.db2.gz NMVLUVDHWFYTIX-IUCAKERBSA-N 2 1 158.289 1.358 10 0 ADAEMP CC[C@H](C)[NH2+]C(CC)(CC)C[NH3+] 83760831 572395006 /nfs/dbraw/zinc/39/50/06/572395006.db2.gz SJQJOPMWEOZCEJ-VIFPVBQESA-N 2 1 172.316 1.892 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC 83760692 572395019 /nfs/dbraw/zinc/39/50/19/572395019.db2.gz MODCHSPSYIRPLJ-IUCAKERBSA-N 2 1 158.289 1.502 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]Cc1cccs1 83758622 572395395 /nfs/dbraw/zinc/39/53/95/572395395.db2.gz JADSXRQYDQDPNL-QMMMGPOBSA-N 2 1 184.308 1.575 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]Cc1cccs1 83758647 572395409 /nfs/dbraw/zinc/39/54/09/572395409.db2.gz MSBODSPADRQGBN-SNVBAGLBSA-N 2 1 198.335 1.821 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](C)(CC)C[NH3+] 83760997 572395467 /nfs/dbraw/zinc/39/54/67/572395467.db2.gz FFARUMLIVYMWLK-BDAKNGLRSA-N 2 1 158.289 1.502 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](C)(C[NH3+])C(C)C 83760734 572395529 /nfs/dbraw/zinc/39/55/29/572395529.db2.gz BDOYARSLXMQDSF-UWVGGRQHSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]Cc1cccs1 83758650 572396109 /nfs/dbraw/zinc/39/61/09/572396109.db2.gz BOCNNLQENNOQFR-SNVBAGLBSA-N 2 1 198.335 1.965 10 0 ADAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CC[C@H](C)C1 83760940 572395654 /nfs/dbraw/zinc/39/56/54/572395654.db2.gz PNEGPNGHDWYXNL-DCAQKATOSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])C(C)C 83760989 572395664 /nfs/dbraw/zinc/39/56/64/572395664.db2.gz NMVLUVDHWFYTIX-BDAKNGLRSA-N 2 1 158.289 1.358 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+][C@H](C)CC 83760717 572395751 /nfs/dbraw/zinc/39/57/51/572395751.db2.gz LOSLRYXMNVIWTK-ZJUUUORDSA-N 2 1 172.316 1.892 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](CC)(C[NH3+])C1CC1 83760540 572395786 /nfs/dbraw/zinc/39/57/86/572395786.db2.gz MQEFDFYLKZKDMU-ONGXEEELSA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+][C@@H](C)CC 83760714 572396285 /nfs/dbraw/zinc/39/62/85/572396285.db2.gz LOSLRYXMNVIWTK-VHSXEESVSA-N 2 1 172.316 1.892 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]([NH3+])CC1CC1 308009507 572396287 /nfs/dbraw/zinc/39/62/87/572396287.db2.gz OLVLRALDLYCPJI-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CCCc1[nH+]c(CC)cn1CCC[NH3+] 238226827 572396329 /nfs/dbraw/zinc/39/63/29/572396329.db2.gz ONRNRTIEGFKBSP-UHFFFAOYSA-N 2 1 195.310 1.747 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](C)(C[NH3+])C1CC1 83760848 572396418 /nfs/dbraw/zinc/39/64/18/572396418.db2.gz QFBOGQUANVQPEB-WPRPVWTQSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](C)(C[NH3+])CCOC 83760357 572396697 /nfs/dbraw/zinc/39/66/97/572396697.db2.gz NNRVBHITFZWWMH-NXEZZACHSA-N 2 1 188.315 1.128 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]Cc1cccs1 83758649 572396762 /nfs/dbraw/zinc/39/67/62/572396762.db2.gz BOCNNLQENNOQFR-JTQLQIEISA-N 2 1 198.335 1.965 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CC[C@H](C)C1 83760936 572396794 /nfs/dbraw/zinc/39/67/94/572396794.db2.gz PNEGPNGHDWYXNL-GARJFASQSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](C)(C[NH3+])C1CC1 83760846 572396821 /nfs/dbraw/zinc/39/68/21/572396821.db2.gz QFBOGQUANVQPEB-SCZZXKLOSA-N 2 1 170.300 1.502 10 0 ADAEMP C[NH2+]CC[C@@H]([NH3+])c1cccs1 208592367 572396835 /nfs/dbraw/zinc/39/68/35/572396835.db2.gz YHENKZBBQSLIHA-SSDOTTSWSA-N 2 1 170.281 1.357 10 0 ADAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 83760420 572396838 /nfs/dbraw/zinc/39/68/38/572396838.db2.gz HEQVRJCYFCSCOC-GARJFASQSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C 83760486 572396851 /nfs/dbraw/zinc/39/68/51/572396851.db2.gz IATVAKKNDMDLSD-IUCAKERBSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC(CC)[C@H]([NH3+])C[NH+](C)C 87171117 572396895 /nfs/dbraw/zinc/39/68/95/572396895.db2.gz NSKCZNVGGWABDY-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@H](C)[NH2+][C@](C)(C[NH3+])C(C)C 83760740 572397308 /nfs/dbraw/zinc/39/73/08/572397308.db2.gz BDOYARSLXMQDSF-VHSXEESVSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+][C@H](C)CC 83760698 572397080 /nfs/dbraw/zinc/39/70/80/572397080.db2.gz MODCHSPSYIRPLJ-RKDXNWHRSA-N 2 1 158.289 1.502 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H](C[NH3+])C(C)C 83760994 572397140 /nfs/dbraw/zinc/39/71/40/572397140.db2.gz NMVLUVDHWFYTIX-RKDXNWHRSA-N 2 1 158.289 1.358 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](C)(C[NH3+])CCOC 83760353 572397278 /nfs/dbraw/zinc/39/72/78/572397278.db2.gz NNRVBHITFZWWMH-ZJUUUORDSA-N 2 1 188.315 1.128 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+][C@H](C)CC 83760719 572397449 /nfs/dbraw/zinc/39/74/49/572397449.db2.gz LOSLRYXMNVIWTK-NXEZZACHSA-N 2 1 172.316 1.892 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]Cc1cccs1 83758695 572397709 /nfs/dbraw/zinc/39/77/09/572397709.db2.gz WCKCFIJGODZYFK-UHFFFAOYSA-N 2 1 184.308 1.575 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](C)(C[NH3+])C(C)C 83760736 572397786 /nfs/dbraw/zinc/39/77/86/572397786.db2.gz BDOYARSLXMQDSF-NXEZZACHSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])C(C)C 83760996 572397878 /nfs/dbraw/zinc/39/78/78/572397878.db2.gz NMVLUVDHWFYTIX-DTWKUNHWSA-N 2 1 158.289 1.358 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](CC)(C[NH3+])C1CC1 83760541 572397911 /nfs/dbraw/zinc/39/79/11/572397911.db2.gz MQEFDFYLKZKDMU-MWLCHTKSSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C 83760483 572397957 /nfs/dbraw/zinc/39/79/57/572397957.db2.gz IATVAKKNDMDLSD-BDAKNGLRSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+][C@@H](C)CC 83760713 572398018 /nfs/dbraw/zinc/39/80/18/572398018.db2.gz LOSLRYXMNVIWTK-UWVGGRQHSA-N 2 1 172.316 1.892 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](CC)(C[NH3+])COC 83760645 572398087 /nfs/dbraw/zinc/39/80/87/572398087.db2.gz YRUPQEODBKDTOK-UWVGGRQHSA-N 2 1 188.315 1.128 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+][C@H](C)CC 83760696 572398122 /nfs/dbraw/zinc/39/81/22/572398122.db2.gz MODCHSPSYIRPLJ-BDAKNGLRSA-N 2 1 158.289 1.502 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH2+]C1CCCC1 83762437 572398477 /nfs/dbraw/zinc/39/84/77/572398477.db2.gz MXHQFGHHLFOPIE-NSHDSACASA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)C[NH2+][C@@](C)(C[NH3+])CC(C)C 83761620 572398494 /nfs/dbraw/zinc/39/84/94/572398494.db2.gz WVIRDYZUALHYJI-LLVKDONJSA-N 2 1 186.343 1.996 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](C)(CC)C[NH3+] 83761001 572399296 /nfs/dbraw/zinc/39/92/96/572399296.db2.gz FFARUMLIVYMWLK-RKDXNWHRSA-N 2 1 158.289 1.502 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C1CCCC1 83762412 572398739 /nfs/dbraw/zinc/39/87/39/572398739.db2.gz DTNJRCYAWPRIDH-JTQLQIEISA-N 2 1 170.300 1.646 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C1CCCC1 83762573 572398806 /nfs/dbraw/zinc/39/88/06/572398806.db2.gz HZSZDTFZOXQKNV-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP CCC[C@@H](C)[C@@H](C[NH3+])[NH2+]CC(C)C 83761556 572398821 /nfs/dbraw/zinc/39/88/21/572398821.db2.gz AOTFPIFNJYZOPE-GHMZBOCLSA-N 2 1 186.343 1.996 10 0 ADAEMP C[C@@](C[NH3+])([NH2+]C1CCCC1)C1CC1 83762491 572398845 /nfs/dbraw/zinc/39/88/45/572398845.db2.gz QQNMRMWREJMDGZ-NSHDSACASA-N 2 1 182.311 1.646 10 0 ADAEMP C[C@H]1CCC[C@](C[NH3+])([NH2+]CC2CC2)C1 83763890 572398938 /nfs/dbraw/zinc/39/89/38/572398938.db2.gz GRPZDCLRONFHCG-JQWIXIFHSA-N 2 1 196.338 1.894 10 0 ADAEMP C[C@@H]1CCC[C@](C[NH3+])([NH2+]CC2CC2)C1 83763887 572398981 /nfs/dbraw/zinc/39/89/81/572398981.db2.gz GRPZDCLRONFHCG-PWSUYJOCSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[C@@](C[NH3+])([NH2+]CC1CC1)C1CC1 83763517 572399147 /nfs/dbraw/zinc/39/91/47/572399147.db2.gz QVAAKUHLOFZWOJ-NSHDSACASA-N 2 1 182.311 1.504 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[NH2+]C1CCCC1 83762712 572399214 /nfs/dbraw/zinc/39/92/14/572399214.db2.gz GYPIGLJXWNRAGT-GXSJLCMTSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@H]1CCC[C@]1(C[NH3+])[NH2+]CC1CC1 83763443 572401420 /nfs/dbraw/zinc/40/14/20/572401420.db2.gz DRJVZCDBKCGYQS-GXSJLCMTSA-N 2 1 182.311 1.504 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]CC1CC1 83763616 572399557 /nfs/dbraw/zinc/39/95/57/572399557.db2.gz AKCFTQIELHHIAN-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCSC1 83761965 572401428 /nfs/dbraw/zinc/40/14/28/572401428.db2.gz QIYAMFPZSWPYSN-SECBINFHSA-N 2 1 188.340 1.066 10 0 ADAEMP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]CC1CC1 83763899 572399775 /nfs/dbraw/zinc/39/97/75/572399775.db2.gz GWBLLKPWHUUJMS-CMPLNLGQSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]CC1CC1 83763792 572399788 /nfs/dbraw/zinc/39/97/88/572399788.db2.gz CSESXPXFQIDFQL-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]CC1CC1 83763609 572399801 /nfs/dbraw/zinc/39/98/01/572399801.db2.gz LFAHNNJGWDBNNG-LLVKDONJSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C1CCCC1 83762719 572399911 /nfs/dbraw/zinc/39/99/11/572399911.db2.gz GYPIGLJXWNRAGT-ONGXEEELSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@@H]1CCC[C@]1(C[NH3+])[NH2+]CC1CC1 83763441 572399896 /nfs/dbraw/zinc/39/98/96/572399896.db2.gz DRJVZCDBKCGYQS-MWLCHTKSSA-N 2 1 182.311 1.504 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[NH2+]CC(C)C 83761986 572399950 /nfs/dbraw/zinc/39/99/50/572399950.db2.gz RWEHSFQIHHIFPP-VHSXEESVSA-N 2 1 172.316 1.605 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+][C@H](C)CC(C)C 308013142 572400016 /nfs/dbraw/zinc/40/00/16/572400016.db2.gz QDBWUMVFQSHDNP-NXEZZACHSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 83763555 572400108 /nfs/dbraw/zinc/40/01/08/572400108.db2.gz AGRBEGYQTOZQCM-ONGXEEELSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)C[NH2+][C@@H](C[NH3+])C(C)C 83761804 572400118 /nfs/dbraw/zinc/40/01/18/572400118.db2.gz QXRLSTFZHRRWTC-VIFPVBQESA-N 2 1 158.289 1.215 10 0 ADAEMP CC(C)C[NH2+]C1(C[NH3+])CCCCC1 83761411 572400128 /nfs/dbraw/zinc/40/01/28/572400128.db2.gz QAZGVVASRBJHKF-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+]CC1CC1 83763614 572400136 /nfs/dbraw/zinc/40/01/36/572400136.db2.gz AKCFTQIELHHIAN-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[C@@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 83763549 572400163 /nfs/dbraw/zinc/40/01/63/572400163.db2.gz AGRBEGYQTOZQCM-MWLCHTKSSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCC1(C)C 308014793 572400196 /nfs/dbraw/zinc/40/01/96/572400196.db2.gz GZYUKZQVHJKTBS-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]C1CCCC1 83762582 572400204 /nfs/dbraw/zinc/40/02/04/572400204.db2.gz PBEPTHONSMECCC-SNVBAGLBSA-N 2 1 170.300 1.646 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(C)C 308013158 572400236 /nfs/dbraw/zinc/40/02/36/572400236.db2.gz QDBWUMVFQSHDNP-UWVGGRQHSA-N 2 1 172.316 1.748 10 0 ADAEMP C[C@H]1CC[C@@](C[NH3+])([NH2+]CC2CC2)C1 83763753 572400337 /nfs/dbraw/zinc/40/03/37/572400337.db2.gz IUXHLDZJSGUNDT-GXSJLCMTSA-N 2 1 182.311 1.504 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83761457 572400379 /nfs/dbraw/zinc/40/03/79/572400379.db2.gz JFQFFSFISYGCSO-QWRGUYRKSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])CCSC 83761237 572400396 /nfs/dbraw/zinc/40/03/96/572400396.db2.gz LVJKDIXORMQGOS-IUCAKERBSA-N 2 1 190.356 1.455 10 0 ADAEMP CSCC[C@H](C[NH3+])[NH2+]CC(C)C 83762010 572400455 /nfs/dbraw/zinc/40/04/55/572400455.db2.gz IDCMPMDGTGKCSI-SECBINFHSA-N 2 1 190.356 1.312 10 0 ADAEMP CCC[C@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 83763552 572400834 /nfs/dbraw/zinc/40/08/34/572400834.db2.gz AGRBEGYQTOZQCM-GXSJLCMTSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1CC[C@](C[NH3+])([NH2+]CC2CC2)C1 83763757 572401462 /nfs/dbraw/zinc/40/14/62/572401462.db2.gz IUXHLDZJSGUNDT-ONGXEEELSA-N 2 1 182.311 1.504 10 0 ADAEMP C[C@H]1CCC[C@@](C[NH3+])([NH2+]CC2CC2)C1 83763886 572400654 /nfs/dbraw/zinc/40/06/54/572400654.db2.gz GRPZDCLRONFHCG-CMPLNLGQSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)(C)C[C@@H](C[NH3+])[NH2+]CC1CC1 83763565 572400716 /nfs/dbraw/zinc/40/07/16/572400716.db2.gz PKBMHAYXKUGMNP-JTQLQIEISA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@]1(C[NH3+])CCSC1 83761176 572400729 /nfs/dbraw/zinc/40/07/29/572400729.db2.gz IBRHSVOCRJJUJQ-RKDXNWHRSA-N 2 1 188.340 1.209 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 83763914 572400742 /nfs/dbraw/zinc/40/07/42/572400742.db2.gz VYBIMDXSVJXGLK-PSASIEDQSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CCCC1 83762242 572400781 /nfs/dbraw/zinc/40/07/81/572400781.db2.gz VKOFJGJZXVFHKL-JTQLQIEISA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+]C1(C[NH3+])CCCC1 83761328 572400847 /nfs/dbraw/zinc/40/08/47/572400847.db2.gz NFBNWTSAHFTRIK-SECBINFHSA-N 2 1 170.300 1.646 10 0 ADAEMP CCC(CC)(C[NH3+])[NH2+]CC(C)C 83761707 572401474 /nfs/dbraw/zinc/40/14/74/572401474.db2.gz UTTTYIFLIDDBPN-UHFFFAOYSA-N 2 1 172.316 1.750 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C1CCCC1 83762435 572400893 /nfs/dbraw/zinc/40/08/93/572400893.db2.gz MXHQFGHHLFOPIE-LLVKDONJSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]CC(C)C 83761994 572400948 /nfs/dbraw/zinc/40/09/48/572400948.db2.gz RWEHSFQIHHIFPP-UWVGGRQHSA-N 2 1 172.316 1.605 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 83763921 572400931 /nfs/dbraw/zinc/40/09/31/572400931.db2.gz VYBIMDXSVJXGLK-WPRPVWTQSA-N 2 1 170.300 1.359 10 0 ADAEMP CCC(CC)[C@H](C[NH3+])[NH2+]CC1CC1 83763973 572401025 /nfs/dbraw/zinc/40/10/25/572401025.db2.gz KVBSPJZRLAVJFP-NSHDSACASA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)C[NH2+][C@H](C[NH3+])C(C)C 83761806 572401479 /nfs/dbraw/zinc/40/14/79/572401479.db2.gz QXRLSTFZHRRWTC-SECBINFHSA-N 2 1 158.289 1.215 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC[C@H]1C 83761456 572401173 /nfs/dbraw/zinc/40/11/73/572401173.db2.gz JFQFFSFISYGCSO-MNOVXSKESA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CC[C@@H](C)C1 83761774 572401181 /nfs/dbraw/zinc/40/11/81/572401181.db2.gz DZQAVIZJXZAVEP-GHMZBOCLSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@](C[NH3+])([NH2+]C1CCCC1)C1CC1 83762488 572401207 /nfs/dbraw/zinc/40/12/07/572401207.db2.gz QQNMRMWREJMDGZ-LLVKDONJSA-N 2 1 182.311 1.646 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 83763916 572401485 /nfs/dbraw/zinc/40/14/85/572401485.db2.gz VYBIMDXSVJXGLK-WCBMZHEXSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])[C@H](C)CC 83761205 572401229 /nfs/dbraw/zinc/40/12/29/572401229.db2.gz VGTAGXOVPUKFLH-UTLUCORTSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]CC(C)C 83761629 572401244 /nfs/dbraw/zinc/40/12/44/572401244.db2.gz NEFQGXIJAKGOEO-SNVBAGLBSA-N 2 1 172.316 1.750 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[NH2+]CC1CC1 83763794 572401256 /nfs/dbraw/zinc/40/12/56/572401256.db2.gz IJDBNFFTDMYMAE-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CSCC[C@@H](C[NH3+])[NH2+]CC(C)C 83762008 572401278 /nfs/dbraw/zinc/40/12/78/572401278.db2.gz IDCMPMDGTGKCSI-VIFPVBQESA-N 2 1 190.356 1.312 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]CC(C)C)C1CC1 83761532 572401312 /nfs/dbraw/zinc/40/13/12/572401312.db2.gz IXKPFYICOBECKP-LLVKDONJSA-N 2 1 184.327 1.750 10 0 ADAEMP C[N@@H+](CCC[NH3+])[C@H]1CCC1(C)C 308013710 572401323 /nfs/dbraw/zinc/40/13/23/572401323.db2.gz GTNDKNMAOFLEFH-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CSCC[C@@H](C[NH3+])[NH2+]CC1CC1 83763935 572401341 /nfs/dbraw/zinc/40/13/41/572401341.db2.gz JYGCVUSPEGLTGY-VIFPVBQESA-N 2 1 188.340 1.066 10 0 ADAEMP CC[C@H]1CC[C@](C[NH3+])([NH2+]CC2CC2)C1 83763507 572401349 /nfs/dbraw/zinc/40/13/49/572401349.db2.gz UFJKVIWTXPIYDL-JQWIXIFHSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]CC(C)C 83761808 572401502 /nfs/dbraw/zinc/40/15/02/572401502.db2.gz AWIBXHWSORGJIC-VIFPVBQESA-N 2 1 158.289 1.359 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]CC1CC1 83763791 572401511 /nfs/dbraw/zinc/40/15/11/572401511.db2.gz CSESXPXFQIDFQL-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]C1CCCC1 83762576 572401537 /nfs/dbraw/zinc/40/15/37/572401537.db2.gz PBEPTHONSMECCC-JTQLQIEISA-N 2 1 170.300 1.646 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CC1CC1 83763603 572401602 /nfs/dbraw/zinc/40/16/02/572401602.db2.gz GWZPJJVMUSQKNA-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H]1CC[C@@](C[NH3+])([NH2+]CC2CC2)C1 83763501 572401801 /nfs/dbraw/zinc/40/18/01/572401801.db2.gz UFJKVIWTXPIYDL-ZYHUDNBSSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C1 83761778 572402667 /nfs/dbraw/zinc/40/26/67/572402667.db2.gz DZQAVIZJXZAVEP-MNOVXSKESA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C1CCCC1 83762238 572401973 /nfs/dbraw/zinc/40/19/73/572401973.db2.gz VKOFJGJZXVFHKL-SNVBAGLBSA-N 2 1 184.327 1.892 10 0 ADAEMP C[N@@H+](CCC[NH3+])[C@@H]1CCC1(C)C 308013705 572402938 /nfs/dbraw/zinc/40/29/38/572402938.db2.gz GTNDKNMAOFLEFH-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[NH2+]CC(C)C 83761991 572402041 /nfs/dbraw/zinc/40/20/41/572402041.db2.gz RWEHSFQIHHIFPP-ZJUUUORDSA-N 2 1 172.316 1.605 10 0 ADAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]CC1CC1 83763895 572402165 /nfs/dbraw/zinc/40/21/65/572402165.db2.gz GWBLLKPWHUUJMS-JQWIXIFHSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 83761458 572403214 /nfs/dbraw/zinc/40/32/14/572403214.db2.gz JFQFFSFISYGCSO-GHMZBOCLSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@H](C)[NH2+]C1(C[NH3+])CCCC1 83761329 572402188 /nfs/dbraw/zinc/40/21/88/572402188.db2.gz NFBNWTSAHFTRIK-VIFPVBQESA-N 2 1 170.300 1.646 10 0 ADAEMP CC[C@@](C[NH3+])([NH2+]CC(C)C)C1CC1 83761533 572402199 /nfs/dbraw/zinc/40/21/99/572402199.db2.gz IXKPFYICOBECKP-NSHDSACASA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]CC1CC1 83763897 572402249 /nfs/dbraw/zinc/40/22/49/572402249.db2.gz GWBLLKPWHUUJMS-ZYHUDNBSSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)C[NH2+][C@H](C[NH3+])CC(C)(C)C 83761573 572402269 /nfs/dbraw/zinc/40/22/69/572402269.db2.gz PDZKSWSXXRGNFS-JTQLQIEISA-N 2 1 186.343 1.996 10 0 ADAEMP CC(C)(C)C[C@H](C[NH3+])[NH2+]CC1CC1 83763567 572402280 /nfs/dbraw/zinc/40/22/80/572402280.db2.gz PKBMHAYXKUGMNP-SNVBAGLBSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@H](C)[NH2+][C@](C)(CC)C[NH3+] 83761003 572402293 /nfs/dbraw/zinc/40/22/93/572402293.db2.gz FFARUMLIVYMWLK-DTWKUNHWSA-N 2 1 158.289 1.502 10 0 ADAEMP CCC[C@@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 83763553 572402423 /nfs/dbraw/zinc/40/24/23/572402423.db2.gz AGRBEGYQTOZQCM-KOLCDFICSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])[C@@H](C)CC 83761206 572402387 /nfs/dbraw/zinc/40/23/87/572402387.db2.gz VGTAGXOVPUKFLH-GUBZILKMSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@H]1CC[C@@](C[NH3+])([NH2+]CC2CC2)C1 83763503 572402462 /nfs/dbraw/zinc/40/24/62/572402462.db2.gz UFJKVIWTXPIYDL-CMPLNLGQSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)C[NH2+][C@](C)(C[NH3+])CC(C)C 83761619 572402466 /nfs/dbraw/zinc/40/24/66/572402466.db2.gz WVIRDYZUALHYJI-NSHDSACASA-N 2 1 186.343 1.996 10 0 ADAEMP CCC(CC)[C@@H](C[NH3+])[NH2+]CC1CC1 83763972 572402473 /nfs/dbraw/zinc/40/24/73/572402473.db2.gz KVBSPJZRLAVJFP-LLVKDONJSA-N 2 1 184.327 1.750 10 0 ADAEMP CCCCC[C@H](C[NH3+])[NH2+]CC1CC1 83763796 572402481 /nfs/dbraw/zinc/40/24/81/572402481.db2.gz IJDBNFFTDMYMAE-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]CC(C)C 83761812 572402500 /nfs/dbraw/zinc/40/25/00/572402500.db2.gz AWIBXHWSORGJIC-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])[C@H](C)CC 83761202 572402533 /nfs/dbraw/zinc/40/25/33/572402533.db2.gz VGTAGXOVPUKFLH-KXUCPTDWSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@H]1CC[C@](C[NH3+])([NH2+]CC2CC2)C1 83763505 572402552 /nfs/dbraw/zinc/40/25/52/572402552.db2.gz UFJKVIWTXPIYDL-PWSUYJOCSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CC[C@H](C)C1 83761779 572402576 /nfs/dbraw/zinc/40/25/76/572402576.db2.gz DZQAVIZJXZAVEP-QWRGUYRKSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC(CC)[C@@H](C[NH3+])[NH2+]CC(C)C 83762070 572402625 /nfs/dbraw/zinc/40/26/25/572402625.db2.gz XXDSPUQPYPSLDM-LLVKDONJSA-N 2 1 186.343 1.996 10 0 ADAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CCSC1 83761178 572402633 /nfs/dbraw/zinc/40/26/33/572402633.db2.gz IBRHSVOCRJJUJQ-DTWKUNHWSA-N 2 1 188.340 1.209 10 0 ADAEMP CC(C)C[NH2+]C1(C[NH3+])CCCC1 83762087 572402727 /nfs/dbraw/zinc/40/27/27/572402727.db2.gz BSIKDXXATSTYEA-UHFFFAOYSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[NH2+]C1CCCC1 83762710 572402772 /nfs/dbraw/zinc/40/27/72/572402772.db2.gz GYPIGLJXWNRAGT-MWLCHTKSSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])CCSC 83761239 572402813 /nfs/dbraw/zinc/40/28/13/572402813.db2.gz LVJKDIXORMQGOS-RKDXNWHRSA-N 2 1 190.356 1.455 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]CC(C)C 83761617 572402847 /nfs/dbraw/zinc/40/28/47/572402847.db2.gz MVOBOZPYUYETGM-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+][C@@H](C)CC(C)C 308013179 572402858 /nfs/dbraw/zinc/40/28/58/572402858.db2.gz QDBWUMVFQSHDNP-VHSXEESVSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])[C@@H](C)CC 83761203 572402859 /nfs/dbraw/zinc/40/28/59/572402859.db2.gz VGTAGXOVPUKFLH-LPEHRKFASA-N 2 1 172.316 1.748 10 0 ADAEMP C[C@@H]1CCC[C@@]1(C[NH3+])[NH2+]CC1CC1 83763436 572402910 /nfs/dbraw/zinc/40/29/10/572402910.db2.gz DRJVZCDBKCGYQS-KOLCDFICSA-N 2 1 182.311 1.504 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[NH2+]C1CCCC1 83762715 572402944 /nfs/dbraw/zinc/40/29/44/572402944.db2.gz GYPIGLJXWNRAGT-KOLCDFICSA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC1(C)C 308014789 572402962 /nfs/dbraw/zinc/40/29/62/572402962.db2.gz GZYUKZQVHJKTBS-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H](C)[NH2+][C@]1(C[NH3+])CCSC1 83761172 572402996 /nfs/dbraw/zinc/40/29/96/572402996.db2.gz IBRHSVOCRJJUJQ-BDAKNGLRSA-N 2 1 188.340 1.209 10 0 ADAEMP [NH3+]CC1([NH2+]CC2CC2)CCCCC1 83763390 572403017 /nfs/dbraw/zinc/40/30/17/572403017.db2.gz PJKUQAQKKBDTEZ-UHFFFAOYSA-N 2 1 182.311 1.648 10 0 ADAEMP CCC[C@@H](C)[C@H](C[NH3+])[NH2+]CC(C)C 83761561 572403044 /nfs/dbraw/zinc/40/30/44/572403044.db2.gz AOTFPIFNJYZOPE-MNOVXSKESA-N 2 1 186.343 1.996 10 0 ADAEMP CSCC[C@H](C[NH3+])[NH2+]CC1CC1 83763936 572403065 /nfs/dbraw/zinc/40/30/65/572403065.db2.gz JYGCVUSPEGLTGY-SECBINFHSA-N 2 1 188.340 1.066 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C1CCCC1 83762570 572403079 /nfs/dbraw/zinc/40/30/79/572403079.db2.gz HZSZDTFZOXQKNV-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]CC1CC1 83763893 572403142 /nfs/dbraw/zinc/40/31/42/572403142.db2.gz GWBLLKPWHUUJMS-PWSUYJOCSA-N 2 1 196.338 1.894 10 0 ADAEMP [NH3+]CC1([NH2+]CC2CC2)CCCC1 83763981 572403163 /nfs/dbraw/zinc/40/31/63/572403163.db2.gz YXCTWOLLPWWXLM-UHFFFAOYSA-N 2 1 168.284 1.258 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCSC1 83761963 572403178 /nfs/dbraw/zinc/40/31/78/572403178.db2.gz QIYAMFPZSWPYSN-VIFPVBQESA-N 2 1 188.340 1.066 10 0 ADAEMP C[C@H]1CCC[C@@]1(C[NH3+])[NH2+]CC1CC1 83763438 572403226 /nfs/dbraw/zinc/40/32/26/572403226.db2.gz DRJVZCDBKCGYQS-ONGXEEELSA-N 2 1 182.311 1.504 10 0 ADAEMP CC1CCC(C[NH3+])([NH2+]CC2CC2)CC1 83763388 572403232 /nfs/dbraw/zinc/40/32/32/572403232.db2.gz SDMGIALQXJKTEJ-UHFFFAOYSA-N 2 1 196.338 1.894 10 0 ADAEMP CC(C)C[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 83761461 572403236 /nfs/dbraw/zinc/40/32/36/572403236.db2.gz JFQFFSFISYGCSO-WDEREUQCSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)C[C@@](C)(C[NH3+])[NH2+]CC1CC1 83763608 572403240 /nfs/dbraw/zinc/40/32/40/572403240.db2.gz LFAHNNJGWDBNNG-NSHDSACASA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[N@@H+](C)Cc1ccc(C[NH3+])cn1 87223103 572403268 /nfs/dbraw/zinc/40/32/68/572403268.db2.gz MCXJRQWZDKWHOJ-UHFFFAOYSA-N 2 1 193.294 1.382 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCSC1 83761173 572403283 /nfs/dbraw/zinc/40/32/83/572403283.db2.gz IBRHSVOCRJJUJQ-IUCAKERBSA-N 2 1 188.340 1.209 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]CC1CC1)C1CC1 83763515 572403349 /nfs/dbraw/zinc/40/33/49/572403349.db2.gz QVAAKUHLOFZWOJ-LLVKDONJSA-N 2 1 182.311 1.504 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])CCSC 83761240 572403361 /nfs/dbraw/zinc/40/33/61/572403361.db2.gz LVJKDIXORMQGOS-DTWKUNHWSA-N 2 1 190.356 1.455 10 0 ADAEMP CCC(CC)[C@H](C[NH3+])[NH2+]CC(C)C 83762073 572403370 /nfs/dbraw/zinc/40/33/70/572403370.db2.gz XXDSPUQPYPSLDM-NSHDSACASA-N 2 1 186.343 1.996 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CC(C)C 83761615 572403392 /nfs/dbraw/zinc/40/33/92/572403392.db2.gz MVOBOZPYUYETGM-VIFPVBQESA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]CC(C)C 83761562 572403396 /nfs/dbraw/zinc/40/33/96/572403396.db2.gz AOTFPIFNJYZOPE-QWRGUYRKSA-N 2 1 186.343 1.996 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]CC1CC1 83763605 572403313 /nfs/dbraw/zinc/40/33/13/572403313.db2.gz GWZPJJVMUSQKNA-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]C1CCCC1 83762416 572403332 /nfs/dbraw/zinc/40/33/32/572403332.db2.gz DTNJRCYAWPRIDH-SNVBAGLBSA-N 2 1 170.300 1.646 10 0 ADAEMP CCC[C@H](C)[C@@H](C[NH3+])[NH2+]CC(C)C 83761559 572403409 /nfs/dbraw/zinc/40/34/09/572403409.db2.gz AOTFPIFNJYZOPE-WDEREUQCSA-N 2 1 186.343 1.996 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H](C[NH3+])CCSC 83761235 572403500 /nfs/dbraw/zinc/40/35/00/572403500.db2.gz LVJKDIXORMQGOS-BDAKNGLRSA-N 2 1 190.356 1.455 10 0 ADAEMP CC(C)C[NH2+][C@@H](C[NH3+])CC(C)(C)C 83761575 572403527 /nfs/dbraw/zinc/40/35/27/572403527.db2.gz PDZKSWSXXRGNFS-SNVBAGLBSA-N 2 1 186.343 1.996 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[NH2+]CC(C)C 83761984 572403532 /nfs/dbraw/zinc/40/35/32/572403532.db2.gz RWEHSFQIHHIFPP-NXEZZACHSA-N 2 1 172.316 1.605 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 83763919 572403559 /nfs/dbraw/zinc/40/35/59/572403559.db2.gz VYBIMDXSVJXGLK-SCZZXKLOSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CC[C@H](C)C1 83761776 572403566 /nfs/dbraw/zinc/40/35/66/572403566.db2.gz DZQAVIZJXZAVEP-WDEREUQCSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H]1CC[C@@](C[NH3+])([NH2+]CC2CC2)C1 83763751 572403593 /nfs/dbraw/zinc/40/35/93/572403593.db2.gz IUXHLDZJSGUNDT-MWLCHTKSSA-N 2 1 182.311 1.504 10 0 ADAEMP C[C@@H]1CCC[C@@](C[NH3+])([NH2+]CC2CC2)C1 83763884 572403611 /nfs/dbraw/zinc/40/36/11/572403611.db2.gz GRPZDCLRONFHCG-ZYHUDNBSSA-N 2 1 196.338 1.894 10 0 ADAEMP C[N@H+]1C(C)(C)CC[C@@]12CCC[NH2+]C2 76607649 572403661 /nfs/dbraw/zinc/40/36/61/572403661.db2.gz HSHLHCKYLORJCT-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 76607545 572406569 /nfs/dbraw/zinc/40/65/69/572406569.db2.gz ZOZPTPKAHHNZTC-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@H]2CC[NH2+]C[C@@H]21 76607685 572403740 /nfs/dbraw/zinc/40/37/40/572403740.db2.gz ZYIDFKAZLAMHKB-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@H]2CC[NH2+]C[C@@H]21 76607685 572403741 /nfs/dbraw/zinc/40/37/41/572403741.db2.gz ZYIDFKAZLAMHKB-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]2[NH2+]C(C)(C)C[C@@H]21 76607456 572403815 /nfs/dbraw/zinc/40/38/15/572403815.db2.gz FARQOVXETCOROC-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2[NH2+]C(C)(C)C[C@@H]21 76607456 572403816 /nfs/dbraw/zinc/40/38/16/572403816.db2.gz FARQOVXETCOROC-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]21 76607567 572403929 /nfs/dbraw/zinc/40/39/29/572403929.db2.gz RRDJHIWQLLCORG-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP CSC1(C[N@@H+](C)CCC[NH3+])CC1 308015688 572403963 /nfs/dbraw/zinc/40/39/63/572403963.db2.gz RISWMNJRSHLGNH-UHFFFAOYSA-N 2 1 188.340 1.163 10 0 ADAEMP C[N@H+]1[C@@H]2C[NH2+]CC[C@H]2CCC1(C)C 76607676 572403995 /nfs/dbraw/zinc/40/39/95/572403995.db2.gz PIWDPSMAWSPMAJ-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CCC(C)(C)C[C@H]2[NH2+]CC[C@@H]21 76607446 572404013 /nfs/dbraw/zinc/40/40/13/572404013.db2.gz ZFXOJDZYYNTKNL-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@H]2[NH2+]CC[C@@H]21 76607446 572404015 /nfs/dbraw/zinc/40/40/15/572404015.db2.gz ZFXOJDZYYNTKNL-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[C@H]2CC(C)(C)[NH2+][C@@H]2CC[N@H+]1C 76607502 572404051 /nfs/dbraw/zinc/40/40/51/572404051.db2.gz ONOXKWDGTMJDRX-OPRDCNLKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C1CCCCC1 76607627 572404067 /nfs/dbraw/zinc/40/40/67/572404067.db2.gz QAHHBJRKRFENLS-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]2C1 76607551 572404111 /nfs/dbraw/zinc/40/41/11/572404111.db2.gz TXSCTTLDPMYQAA-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+](C)Cc1ccc(C[NH2+]C)cn1 87223116 572404113 /nfs/dbraw/zinc/40/41/13/572404113.db2.gz YUSOLHLXSAKYMR-UHFFFAOYSA-N 2 1 193.294 1.253 10 0 ADAEMP C[C@@H]1C[C@H]2[NH2+]C(C)(C)C[C@H]2C[N@H+]1C 76607487 572404264 /nfs/dbraw/zinc/40/42/64/572404264.db2.gz TZAYKWYFIQRSTM-KXUCPTDWSA-N 2 1 182.311 1.467 10 0 ADAEMP C[N@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 76607561 572404352 /nfs/dbraw/zinc/40/43/52/572404352.db2.gz TXSCTTLDPMYQAA-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@H]2CC[NH2+]C[C@H]21 76607690 572404370 /nfs/dbraw/zinc/40/43/70/572404370.db2.gz ZYIDFKAZLAMHKB-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@H]2CC[NH2+]C[C@H]21 76607690 572404373 /nfs/dbraw/zinc/40/43/73/572404373.db2.gz ZYIDFKAZLAMHKB-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]C(C)(C)CC[C@H]2C1 76607657 572404518 /nfs/dbraw/zinc/40/45/18/572404518.db2.gz QGEHTOUWCMUMAZ-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 76607553 572404588 /nfs/dbraw/zinc/40/45/88/572404588.db2.gz TXSCTTLDPMYQAA-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]C(C)(C)CC[C@@H]2C1 76607655 572404636 /nfs/dbraw/zinc/40/46/36/572404636.db2.gz QGEHTOUWCMUMAZ-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1[C@H]2CC[NH2+]C[C@@H]2CCC1(C)C 76607662 572404698 /nfs/dbraw/zinc/40/46/98/572404698.db2.gz VCLFTTYKZNEAOM-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@@H]([NH3+])CC[C@@H]21 76607381 572404735 /nfs/dbraw/zinc/40/47/35/572404735.db2.gz MOEFDOJYJNSBGG-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 76607383 572404818 /nfs/dbraw/zinc/40/48/18/572404818.db2.gz QRSUXOWVVARROE-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 76607611 572404861 /nfs/dbraw/zinc/40/48/61/572404861.db2.gz DUJWJJPEQAKTFU-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP CCC1(CC)CC[N@@H+](CCC(N)=[NH2+])C1 87254825 572408024 /nfs/dbraw/zinc/40/80/24/572408024.db2.gz MAFPDRBBMLGDLQ-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP C[C@H]1[C@H]2C[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 76607615 572405075 /nfs/dbraw/zinc/40/50/75/572405075.db2.gz WCUZMEKFHJVGFQ-NZHYYXIDSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@H](C[NH3+])C[C@@H]2CC[N@H+]1C 76607595 572405118 /nfs/dbraw/zinc/40/51/18/572405118.db2.gz AKWRDCPMAPGSJB-ZNSHCXBVSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C[N@H+]1C 76607403 572405191 /nfs/dbraw/zinc/40/51/91/572405191.db2.gz UNKOYHZOWZBTJO-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@H]2CC[NH2+][C@@H]2C1 76607449 572405270 /nfs/dbraw/zinc/40/52/70/572405270.db2.gz UTOKYUPGDUJKGZ-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@H]2CC[NH2+][C@@H]2C1 76607449 572405271 /nfs/dbraw/zinc/40/52/71/572405271.db2.gz UTOKYUPGDUJKGZ-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1[C@@H]2CC[C@H]([NH3+])C[C@@H]2CC[N@H+]1C 76607413 572405305 /nfs/dbraw/zinc/40/53/05/572405305.db2.gz YCHCDIRGACFSPR-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCC(C)(C)C1)C1CC1 87252121 572408060 /nfs/dbraw/zinc/40/80/60/572408060.db2.gz GMLGTNUWHYBZME-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1[C@@H]2CC[NH2+]C[C@@H]2CCC1(C)C 76607669 572405372 /nfs/dbraw/zinc/40/53/72/572405372.db2.gz VCLFTTYKZNEAOM-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1[C@H]2C[NH2+]CC[C@@H]2CCC1(C)C 76607674 572405426 /nfs/dbraw/zinc/40/54/26/572405426.db2.gz PIWDPSMAWSPMAJ-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CCC[C@H]2[NH2+]CCC(C)(C)[C@H]21 76607543 572405444 /nfs/dbraw/zinc/40/54/44/572405444.db2.gz ZOZPTPKAHHNZTC-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@H]2[NH2+]CCC(C)(C)[C@H]21 76607543 572405447 /nfs/dbraw/zinc/40/54/47/572405447.db2.gz ZOZPTPKAHHNZTC-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 76607394 572405515 /nfs/dbraw/zinc/40/55/15/572405515.db2.gz ZHERRVFYHQPBPI-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1[C@@H]2CC[NH2+]C[C@H]2CCC1(C)C 76607665 572405579 /nfs/dbraw/zinc/40/55/79/572405579.db2.gz VCLFTTYKZNEAOM-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@H]2[C@@H](C[C@H](C)CC[N@@H+]2C)[NH2+]1 76607511 572405691 /nfs/dbraw/zinc/40/56/91/572405691.db2.gz GQERZZGOEHVJRG-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1C[C@@H]2[C@@H](C[C@H](C)CC[N@H+]2C)[NH2+]1 76607511 572405695 /nfs/dbraw/zinc/40/56/95/572405695.db2.gz GQERZZGOEHVJRG-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[N@H+]1C(C)(C)CC[C@]12CCC[NH2+]C2 76607645 572405800 /nfs/dbraw/zinc/40/58/00/572405800.db2.gz HSHLHCKYLORJCT-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP 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/nfs/dbraw/zinc/40/63/12/572406312.db2.gz ZOZPTPKAHHNZTC-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 76607568 572406337 /nfs/dbraw/zinc/40/63/37/572406337.db2.gz ZBSMFTHVNDLXSC-HBNTYKKESA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@@H+]1CC[C@@H]2[NH2+]C(C)(C)C[C@H]2CC1 76607484 572406379 /nfs/dbraw/zinc/40/63/79/572406379.db2.gz XTSLLYQXOJNSMQ-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C[C@@H]([NH3+])C1C2CC3CC(C2)CC1C3 117096568 572406396 /nfs/dbraw/zinc/40/63/96/572406396.db2.gz HUGHDMGDOFCFRD-AZOGYHBKSA-N 2 1 194.322 1.345 10 0 ADAEMP C[N@@H+]1CCCC[C@H]2[NH2+]C(C)(C)C[C@@H]21 76607470 572406398 /nfs/dbraw/zinc/40/63/98/572406398.db2.gz FARQOVXETCOROC-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@H+]1CCCC[C@H]2[NH2+]C(C)(C)C[C@@H]21 76607470 572406401 /nfs/dbraw/zinc/40/64/01/572406401.db2.gz FARQOVXETCOROC-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@H+]1CC[C@@H]2CC[C@H]([NH3+])C[C@@H]2CC1 76607398 572406476 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/nfs/dbraw/zinc/40/69/36/572406936.db2.gz FARQOVXETCOROC-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 76607541 572407038 /nfs/dbraw/zinc/40/70/38/572407038.db2.gz ZOZPTPKAHHNZTC-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 76607541 572407044 /nfs/dbraw/zinc/40/70/44/572407044.db2.gz ZOZPTPKAHHNZTC-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]C(C)(C)C[C@H]2C1 76607479 572407195 /nfs/dbraw/zinc/40/71/95/572407195.db2.gz UKQPXTVZVWEMDK-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@H]2[NH2+]CC[C@H]21 76607443 572407225 /nfs/dbraw/zinc/40/72/25/572407225.db2.gz ZFXOJDZYYNTKNL-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@@H+](C)Cc1ccc(C[NH3+])cn1 87223032 572407226 /nfs/dbraw/zinc/40/72/26/572407226.db2.gz XCAMIBRPXRKMMP-UHFFFAOYSA-N 2 1 193.294 1.381 10 0 ADAEMP C[N@@H+]1CCC(C)(C)C[C@H]2[NH2+]CC[C@H]21 76607443 572407221 /nfs/dbraw/zinc/40/72/21/572407221.db2.gz ZFXOJDZYYNTKNL-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C[C@H]([NH3+])C1C2CC3CC(C2)CC1C3 117096570 572407398 /nfs/dbraw/zinc/40/73/98/572407398.db2.gz HUGHDMGDOFCFRD-FMBFNZMWSA-N 2 1 194.322 1.345 10 0 ADAEMP CCC[C@@H](C[NH3+])n1cc(C)[nH+]c1C 714409528 572407422 /nfs/dbraw/zinc/40/74/22/572407422.db2.gz JIXLIJMZGABKDJ-JTQLQIEISA-N 2 1 181.283 1.800 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CSC(N)=[NH2+] 238232762 572411210 /nfs/dbraw/zinc/41/12/10/572411210.db2.gz DRDMRONZSMHSLV-SSDOTTSWSA-N 2 1 187.312 1.097 10 0 ADAEMP CCC[C@H](C[NH3+])n1cc(C)[nH+]c1C 714409529 572407817 /nfs/dbraw/zinc/40/78/17/572407817.db2.gz JIXLIJMZGABKDJ-SNVBAGLBSA-N 2 1 181.283 1.800 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+]1CCC(C)(C)C1)C1CC1 87252121 572408056 /nfs/dbraw/zinc/40/80/56/572408056.db2.gz GMLGTNUWHYBZME-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1CCC(C)(C)C1 87252241 572408305 /nfs/dbraw/zinc/40/83/05/572408305.db2.gz NCOGNQJNUIMEDW-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCC(C)(C)C1 87252241 572408307 /nfs/dbraw/zinc/40/83/07/572408307.db2.gz NCOGNQJNUIMEDW-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254817 572410566 /nfs/dbraw/zinc/41/05/66/572410566.db2.gz YDMUSOSVIPZMPU-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[NH2+][C@H](C[N@@H+]1CCC(C)(C)C1)C1CC1 87252122 572408436 /nfs/dbraw/zinc/40/84/36/572408436.db2.gz GMLGTNUWHYBZME-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H](C[N@H+]1CCC(C)(C)C1)C1CC1 87252122 572408438 /nfs/dbraw/zinc/40/84/38/572408438.db2.gz GMLGTNUWHYBZME-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1(C)CC[N@@H+](CCCCC(N)=[NH2+])C1 87254818 572411053 /nfs/dbraw/zinc/41/10/53/572411053.db2.gz KBLVGQJBECTQMN-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87255212 572408773 /nfs/dbraw/zinc/40/87/73/572408773.db2.gz CCQOQZOCUCAPJR-NSHDSACASA-N 2 1 198.354 1.949 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CCC(C)(C)C1 87252240 572408906 /nfs/dbraw/zinc/40/89/06/572408906.db2.gz NCOGNQJNUIMEDW-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CCC(C)(C)C1 87252240 572408909 /nfs/dbraw/zinc/40/89/09/572408909.db2.gz NCOGNQJNUIMEDW-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC1(C)CC[N@@H+](CCCC(N)=[NH2+])C1 87254801 572408914 /nfs/dbraw/zinc/40/89/14/572408914.db2.gz JTCQWCIBUKENJR-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[N@@H+]1CCC(C)(C)C1 87258928 572412550 /nfs/dbraw/zinc/41/25/50/572412550.db2.gz AUMGIKMRNJYCSA-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[N@H+]1CCC(C)(C)C1 87258928 572412552 /nfs/dbraw/zinc/41/25/52/572412552.db2.gz AUMGIKMRNJYCSA-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@H+]1CCC(C)(C)C1 87255196 572408943 /nfs/dbraw/zinc/40/89/43/572408943.db2.gz OAXQQPUTDRXNAP-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87252047 572409679 /nfs/dbraw/zinc/40/96/79/572409679.db2.gz SPPAOHNXDZNECQ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@H+]1CCC(C)(C)C1 87255178 572409391 /nfs/dbraw/zinc/40/93/91/572409391.db2.gz BYNPMGLWIDVYKV-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CCC(C)(C)C1 87255237 572409428 /nfs/dbraw/zinc/40/94/28/572409428.db2.gz XBFSYLCIOJZIQJ-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@H+]1CCC(C)(C)C1 87252167 572409507 /nfs/dbraw/zinc/40/95/07/572409507.db2.gz RNNOTTAKMCIUJH-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CC(C)(C)C[N@H+]1CCC(C)(C)C1 87258695 572409943 /nfs/dbraw/zinc/40/99/43/572409943.db2.gz ZMBVFOYBQRKXRH-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87252048 572410178 /nfs/dbraw/zinc/41/01/78/572410178.db2.gz SPPAOHNXDZNECQ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC1(CC)CC[N@H+](CC[NH2+]C)C1 87252388 572410376 /nfs/dbraw/zinc/41/03/76/572410376.db2.gz LFMRDZRODZQBME-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC1(CC)CC[N@@H+](CC[NH2+]C)C1 87252388 572410380 /nfs/dbraw/zinc/41/03/80/572410380.db2.gz LFMRDZRODZQBME-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87255026 572410677 /nfs/dbraw/zinc/41/06/77/572410677.db2.gz PTPKZFVYDDGPDM-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CCC(C)(C)C1 87252199 572410733 /nfs/dbraw/zinc/41/07/33/572410733.db2.gz KFLVLQOTGJAIEY-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@H](C[N@@H+]1CCC(C)(C)C1)[NH2+]C 87252162 572410793 /nfs/dbraw/zinc/41/07/93/572410793.db2.gz DZVUBEYMSLFPIM-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C[N@H+]1CCC(C)(C)C1)[NH2+]C 87252162 572410797 /nfs/dbraw/zinc/41/07/97/572410797.db2.gz DZVUBEYMSLFPIM-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CCC(C)(C)C1 87252042 572410833 /nfs/dbraw/zinc/41/08/33/572410833.db2.gz FRKQBOHZSVZCEE-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](C[NH2+]C1CC1)[N@@H+]1CCC(C)(C)C1 87258931 572413324 /nfs/dbraw/zinc/41/33/24/572413324.db2.gz AUMGIKMRNJYCSA-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC(C)(C)C1 87255177 572411089 /nfs/dbraw/zinc/41/10/89/572411089.db2.gz BYNPMGLWIDVYKV-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@H+]1CCC(C)(C)C1 87252044 572411140 /nfs/dbraw/zinc/41/11/40/572411140.db2.gz FRKQBOHZSVZCEE-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCC(C)(C)C1 87252169 572411168 /nfs/dbraw/zinc/41/11/68/572411168.db2.gz RNNOTTAKMCIUJH-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC1(CC)CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 87254830 572411362 /nfs/dbraw/zinc/41/13/62/572411362.db2.gz BMFDARBNIGCFJN-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CCC1(CC)CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 87254830 572411369 /nfs/dbraw/zinc/41/13/69/572411369.db2.gz BMFDARBNIGCFJN-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CC1(C)CC[N@@H+](CCC[NH2+]C2CC2)C1 87252061 572411473 /nfs/dbraw/zinc/41/14/73/572411473.db2.gz KYSKBRFBJDZKDF-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87255028 572411532 /nfs/dbraw/zinc/41/15/32/572411532.db2.gz PTPKZFVYDDGPDM-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@H+]1CCC(C)(C)C1 87255213 572411845 /nfs/dbraw/zinc/41/18/45/572411845.db2.gz CCQOQZOCUCAPJR-LLVKDONJSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254815 572411896 /nfs/dbraw/zinc/41/18/96/572411896.db2.gz YDMUSOSVIPZMPU-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CC[NH2+]C[C@H](C)C[N@H+]1CCC(C)(C)C1 87255198 572411904 /nfs/dbraw/zinc/41/19/04/572411904.db2.gz OAXQQPUTDRXNAP-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@H+]1CCC(C)(C)C1 87258916 572412671 /nfs/dbraw/zinc/41/26/71/572412671.db2.gz LZZLMJUECMMSFT-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87258901 572412813 /nfs/dbraw/zinc/41/28/13/572412813.db2.gz JYWCJBYVLXCCGL-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP Cc1cn(CC[NH2+]C(C)C)c(C)[nH+]1 714411499 572412822 /nfs/dbraw/zinc/41/28/22/572412822.db2.gz UKSGSEIAUZTKJU-UHFFFAOYSA-N 2 1 181.283 1.498 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@H+]1CCC(C)(C)C1 87258918 572412914 /nfs/dbraw/zinc/41/29/14/572412914.db2.gz LZZLMJUECMMSFT-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87258905 572413007 /nfs/dbraw/zinc/41/30/07/572413007.db2.gz JYWCJBYVLXCCGL-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@H+]1C[C@H](C(C)C)C[C@@H]([NH2+]C)C1 250321170 572413058 /nfs/dbraw/zinc/41/30/58/572413058.db2.gz NECQSBUZDLBCMI-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+]1C[C@H](C(C)C)C[C@@H]([NH2+]C)C1 250321170 572413061 /nfs/dbraw/zinc/41/30/61/572413061.db2.gz NECQSBUZDLBCMI-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H](CCC[NH3+])[N@H+]1CCC(C)(C)C1 87258884 572413147 /nfs/dbraw/zinc/41/31/47/572413147.db2.gz OWIQRNXLXUNYQP-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1CCC(C)(C)C1 87258826 572413177 /nfs/dbraw/zinc/41/31/77/572413177.db2.gz FNUNJHGQXYNIHM-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CCC(C)(C)C1 87258826 572413181 /nfs/dbraw/zinc/41/31/81/572413181.db2.gz FNUNJHGQXYNIHM-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H](C[NH2+]C1CC1)[N@H+]1CCC(C)(C)C1 87258931 572413327 /nfs/dbraw/zinc/41/33/27/572413327.db2.gz AUMGIKMRNJYCSA-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@H+]1CCC(C)(C)C1 87258898 572413404 /nfs/dbraw/zinc/41/34/04/572413404.db2.gz JYWCJBYVLXCCGL-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@H+]1CCC(C)(C)C1 87258883 572413562 /nfs/dbraw/zinc/41/35/62/572413562.db2.gz OWIQRNXLXUNYQP-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+]1C[C@H]([NH2+]C)C[C@H](C(C)C)C1 250321171 572413727 /nfs/dbraw/zinc/41/37/27/572413727.db2.gz NECQSBUZDLBCMI-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@H+]1C[C@H]([NH2+]C)C[C@H](C(C)C)C1 250321171 572413731 /nfs/dbraw/zinc/41/37/31/572413731.db2.gz NECQSBUZDLBCMI-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CCC(C)(C)C1 87258903 572413782 /nfs/dbraw/zinc/41/37/82/572413782.db2.gz JYWCJBYVLXCCGL-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H]([NH3+])C[NH2+]Cc1cscc1C 87310227 572414238 /nfs/dbraw/zinc/41/42/38/572414238.db2.gz KUUQPOSPOQTILM-JTQLQIEISA-N 2 1 198.335 1.883 10 0 ADAEMP CC(C)C[C@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76629708 572415259 /nfs/dbraw/zinc/41/52/59/572415259.db2.gz RMEXXTPVJQOAAI-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76629708 572415263 /nfs/dbraw/zinc/41/52/63/572415263.db2.gz RMEXXTPVJQOAAI-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1CC[C@H](C)[NH3+] 250330815 572415281 /nfs/dbraw/zinc/41/52/81/572415281.db2.gz OKTKCJTXNSDDQO-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CCc1ccsc1C[NH2+]C[C@H](C)[NH3+] 87310154 572415475 /nfs/dbraw/zinc/41/54/75/572415475.db2.gz GIDFLVDRNZTCBW-QMMMGPOBSA-N 2 1 198.335 1.747 10 0 ADAEMP Cc1ccc(C[NH2+]CC[C@@H](C)[NH3+])o1 53040572 572415542 /nfs/dbraw/zinc/41/55/42/572415542.db2.gz HUMJFGKCTOTSEY-MRVPVSSYSA-N 2 1 182.267 1.415 10 0 ADAEMP Cc1ccsc1C[NH2+]C[C@@H](C)[NH3+] 87309993 572415629 /nfs/dbraw/zinc/41/56/29/572415629.db2.gz SSWRMVQMJYPWGH-MRVPVSSYSA-N 2 1 184.308 1.493 10 0 ADAEMP CC[C@H](C)[C@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76629696 572415653 /nfs/dbraw/zinc/41/56/53/572415653.db2.gz YKFWDGXZBJYAGT-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76629696 572415658 /nfs/dbraw/zinc/41/56/58/572415658.db2.gz YKFWDGXZBJYAGT-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76629702 572416066 /nfs/dbraw/zinc/41/60/66/572416066.db2.gz RMEXXTPVJQOAAI-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76629702 572416068 /nfs/dbraw/zinc/41/60/68/572416068.db2.gz RMEXXTPVJQOAAI-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP Cc1ccsc1C[NH2+]C[C@H](C)[NH3+] 87309994 572416102 /nfs/dbraw/zinc/41/61/02/572416102.db2.gz SSWRMVQMJYPWGH-QMMMGPOBSA-N 2 1 184.308 1.493 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@H](CC[NH3+])C1 76629716 572416416 /nfs/dbraw/zinc/41/64/16/572416416.db2.gz JREJCFCBJHJIBL-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CCc1[nH]c(C[C@H](C)[NH3+])c(C)[nH+]1 44411630 572416417 /nfs/dbraw/zinc/41/64/17/572416417.db2.gz GGNZFJZVJUBKNH-LURJTMIESA-N 2 1 167.256 1.170 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1CC[C@H](C)[NH3+] 250330811 572416425 /nfs/dbraw/zinc/41/64/25/572416425.db2.gz OKTKCJTXNSDDQO-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](C)[C@@H]1CCC[N@H+](C)C[C@@H]1[NH3+] 76629688 572416439 /nfs/dbraw/zinc/41/64/39/572416439.db2.gz YKFWDGXZBJYAGT-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@@H]1CCC[N@@H+](C)C[C@@H]1[NH3+] 76629688 572416443 /nfs/dbraw/zinc/41/64/43/572416443.db2.gz YKFWDGXZBJYAGT-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@]1(C)C[N@H+](C)CCC(C)(C)C1 76629723 572416870 /nfs/dbraw/zinc/41/68/70/572416870.db2.gz ZCZNGAWGXNZSLI-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@]1(C)C[N@@H+](C)CCC(C)(C)C1 76629723 572416876 /nfs/dbraw/zinc/41/68/76/572416876.db2.gz ZCZNGAWGXNZSLI-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CCc1[nH]c(C[C@@H](C)[NH3+])c(C)[nH+]1 44411627 572416896 /nfs/dbraw/zinc/41/68/96/572416896.db2.gz GGNZFJZVJUBKNH-ZCFIWIBFSA-N 2 1 167.256 1.170 10 0 ADAEMP C[NH2+][C@@]1(C)C[N@H+](C)CCC(C)(C)C1 76629725 572417678 /nfs/dbraw/zinc/41/76/78/572417678.db2.gz ZCZNGAWGXNZSLI-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@@]1(C)C[N@@H+](C)CCC(C)(C)C1 76629725 572417682 /nfs/dbraw/zinc/41/76/82/572417682.db2.gz ZCZNGAWGXNZSLI-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP Cc1cscc1C[NH2+]C[C@@H](C)[NH3+] 87310339 572417695 /nfs/dbraw/zinc/41/76/95/572417695.db2.gz JATLGMHJLFTBHK-MRVPVSSYSA-N 2 1 184.308 1.493 10 0 ADAEMP Cc1cscc1C[NH2+]CC1([NH3+])CC1 87310270 572417862 /nfs/dbraw/zinc/41/78/62/572417862.db2.gz VFCUEAXRJQWTOU-UHFFFAOYSA-N 2 1 196.319 1.637 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H](CC[NH3+])C1 76629711 572417943 /nfs/dbraw/zinc/41/79/43/572417943.db2.gz JREJCFCBJHJIBL-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CCc1ccsc1C[NH2+]C[C@@H](C)[NH3+] 87310153 572417947 /nfs/dbraw/zinc/41/79/47/572417947.db2.gz GIDFLVDRNZTCBW-MRVPVSSYSA-N 2 1 198.335 1.747 10 0 ADAEMP Cc1cscc1C[NH2+]CC(C)(C)[NH3+] 87310298 572418040 /nfs/dbraw/zinc/41/80/40/572418040.db2.gz FZCVJTKDWSEYJK-UHFFFAOYSA-N 2 1 198.335 1.883 10 0 ADAEMP CC[C@]1([NH3+])C[N@@H+](C)CCC(C)(C)C1 76629742 572418751 /nfs/dbraw/zinc/41/87/51/572418751.db2.gz DHXJTKAXBASCIP-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@](C)([NH3+])CCc1[nH+]ccn1C 126320303 572418873 /nfs/dbraw/zinc/41/88/73/572418873.db2.gz LDEYTBSBYSMWKH-LLVKDONJSA-N 2 1 195.310 1.726 10 0 ADAEMP C[C@H]1[C@@H](CCC[NH3+])CC[C@@H](C)[N@@H+]1C 76629798 572418889 /nfs/dbraw/zinc/41/88/89/572418889.db2.gz UKJLDVAHVMYOHG-VWYCJHECSA-N 2 1 184.327 1.844 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CC1CCC1 83842130 572419372 /nfs/dbraw/zinc/41/93/72/572419372.db2.gz QUWDCDGXSNYXQQ-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H]1CC[C@@H](CCC[NH3+])[N@@H+](C)CC1 76629785 572419518 /nfs/dbraw/zinc/41/95/18/572419518.db2.gz WIPHYZDUSJGXHL-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 238796783 572419724 /nfs/dbraw/zinc/41/97/24/572419724.db2.gz DIVRWQSMCZETNP-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 238796783 572419728 /nfs/dbraw/zinc/41/97/28/572419728.db2.gz DIVRWQSMCZETNP-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1[C@H](CCC[NH3+])CC[C@@H](C)[N@@H+]1C 76629800 572419903 /nfs/dbraw/zinc/41/99/03/572419903.db2.gz UKJLDVAHVMYOHG-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CC[C@@H](CCC[NH3+])[N@@H+](C)CC1 76629792 572419967 /nfs/dbraw/zinc/41/99/67/572419967.db2.gz WIPHYZDUSJGXHL-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CC1CCC1 83842129 572420442 /nfs/dbraw/zinc/42/04/42/572420442.db2.gz QUWDCDGXSNYXQQ-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP CCCC[C@H](C)C1=[NH+]CCN1CC[NH3+] 238796717 572420494 /nfs/dbraw/zinc/42/04/94/572420494.db2.gz ZNAPUQXAMAISAI-JTQLQIEISA-N 2 1 197.326 1.486 10 0 ADAEMP C[C@@H]1CC[C@H](CCC[NH3+])[N@@H+](C)CC1 76629776 572420747 /nfs/dbraw/zinc/42/07/47/572420747.db2.gz WIPHYZDUSJGXHL-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@]1([NH3+])C[N@@H+](C)CCC(C)(C)C1 76629737 572420837 /nfs/dbraw/zinc/42/08/37/572420837.db2.gz DHXJTKAXBASCIP-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CC[N@@H+](C)CC[C@@H]1CCC[NH3+] 76629773 572421004 /nfs/dbraw/zinc/42/10/04/572421004.db2.gz ACCJTDMHYWZNHT-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CC1(CC[NH3+])CC1 83853622 572421486 /nfs/dbraw/zinc/42/14/86/572421486.db2.gz MUNJKNJCQHEVPP-WDEREUQCSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[N@@H+](CC1CC1)CC1(CC[NH3+])CC1 83853626 572421633 /nfs/dbraw/zinc/42/16/33/572421633.db2.gz ZKBTTWXCAQLXHT-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP Cc1[nH+]ccn1CC1(CC[NH3+])CC1 83853689 572421705 /nfs/dbraw/zinc/42/17/05/572421705.db2.gz AFSYQNMWUSMAPH-UHFFFAOYSA-N 2 1 179.267 1.321 10 0 ADAEMP CC[N@@H+](CC1(CC[NH3+])CC1)C1CC1 83853296 572421738 /nfs/dbraw/zinc/42/17/38/572421738.db2.gz UQWHJYFHCMYKGJ-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC[N@@H+](CC1(CC[NH3+])CC1)C1CC1 83853304 572421904 /nfs/dbraw/zinc/42/19/04/572421904.db2.gz RXGWTNYZFNGDKY-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+](CC1CCC1)CC1(CC[NH3+])CC1 83853537 572421931 /nfs/dbraw/zinc/42/19/31/572421931.db2.gz BGSWUJQWRNPVQZ-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP CCCC[N@@H+](C)CC1(CC[NH3+])CC1 83853287 572423895 /nfs/dbraw/zinc/42/38/95/572423895.db2.gz PUDMVBUBGBCJGK-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP CC(C)[N@@H+](C)CC1(CC[NH3+])CC1 83853261 572422090 /nfs/dbraw/zinc/42/20/90/572422090.db2.gz WMKNBOJAYWPRIF-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC1(CC[NH3+])CC1 83853308 572422105 /nfs/dbraw/zinc/42/21/05/572422105.db2.gz DAVFPCYAPPBGIP-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC1(CC[NH3+])CC1 83853621 572422306 /nfs/dbraw/zinc/42/23/06/572422306.db2.gz MUNJKNJCQHEVPP-GHMZBOCLSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CC1(CC[NH3+])CC1 83853339 572422291 /nfs/dbraw/zinc/42/22/91/572422291.db2.gz CQNKHJYKPXHBHJ-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CCC[N@H+]1CC1(CC[NH3+])CC1 83853565 572422496 /nfs/dbraw/zinc/42/24/96/572422496.db2.gz VMODAGKEXZFHIB-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC1(CC[NH3+])CC1 83853338 572422534 /nfs/dbraw/zinc/42/25/34/572422534.db2.gz CQNKHJYKPXHBHJ-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(CC[NH3+])CC1 83853376 572422609 /nfs/dbraw/zinc/42/26/09/572422609.db2.gz IEJMRVXBIHITGE-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(CC[NH3+])CC1 83853375 572422712 /nfs/dbraw/zinc/42/27/12/572422712.db2.gz IEJMRVXBIHITGE-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC2(CC[NH3+])CC2)C1 83853257 572422837 /nfs/dbraw/zinc/42/28/37/572422837.db2.gz MOZNCIMGXONEOG-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CC1(CC[NH3+])CC1 83853377 572422888 /nfs/dbraw/zinc/42/28/88/572422888.db2.gz UXLRUGWMHPYCBR-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+](CC1(CC[NH3+])CC1)C1CCCC1 83853301 572422906 /nfs/dbraw/zinc/42/29/06/572422906.db2.gz RIJGJTCTMFODTJ-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CC1(CC[NH3+])CC1 83853378 572423395 /nfs/dbraw/zinc/42/33/95/572423395.db2.gz UXLRUGWMHPYCBR-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[N@@H+](CC)CC1(CC[NH3+])CC1 83853302 572423000 /nfs/dbraw/zinc/42/30/00/572423000.db2.gz SWSKLANWGZQJMW-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2(CC[NH3+])CC2)C1 83853383 572423049 /nfs/dbraw/zinc/42/30/49/572423049.db2.gz KOPNKNQOSMKMFT-JTQLQIEISA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2(CC[NH3+])CC2)C1 83853382 572423172 /nfs/dbraw/zinc/42/31/72/572423172.db2.gz KOPNKNQOSMKMFT-SNVBAGLBSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC1(CC[NH3+])CC1 83853249 572423303 /nfs/dbraw/zinc/42/33/03/572423303.db2.gz AEWWUQLWTOYSSX-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]1CC([C@H]([NH3+])C[NH3+])C[C@H](C)C1 44471976 572423333 /nfs/dbraw/zinc/42/33/33/572423333.db2.gz RFBNVKJACHKSLU-NQMVMOMDSA-N 2 1 170.300 1.345 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CC1(CC[NH3+])CC1 83853250 572423369 /nfs/dbraw/zinc/42/33/69/572423369.db2.gz AEWWUQLWTOYSSX-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[N@@H+](CC1(CC[NH3+])CC1)C(C)C 83853298 572423639 /nfs/dbraw/zinc/42/36/39/572423639.db2.gz OBORLMOLXLKUGT-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CC1(CC[NH3+])CC1 83853623 572423782 /nfs/dbraw/zinc/42/37/82/572423782.db2.gz MUNJKNJCQHEVPP-MNOVXSKESA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@@H+](CC1(CC[NH3+])CC1)C1CC1 83853297 572423804 /nfs/dbraw/zinc/42/38/04/572423804.db2.gz CNCIZHDZIAHJIB-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC1(CC[NH3+])CC1 83853307 572423843 /nfs/dbraw/zinc/42/38/43/572423843.db2.gz DAVFPCYAPPBGIP-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CC1CC1)CC1(CC[NH3+])CC1 83853379 572424023 /nfs/dbraw/zinc/42/40/23/572424023.db2.gz KVJDUIKCEULBNA-UHFFFAOYSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CC1(CC[NH3+])CC1 83853624 572424230 /nfs/dbraw/zinc/42/42/30/572424230.db2.gz MUNJKNJCQHEVPP-QWRGUYRKSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)C[N@@H+](C)CC1(CC[NH3+])CC1 83853306 572424392 /nfs/dbraw/zinc/42/43/92/572424392.db2.gz RNADIZZWZBMMIN-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP CCCC[N@@H+](C)[C@@](C)(CN)COC 53197900 572424626 /nfs/dbraw/zinc/42/46/26/572424626.db2.gz FMIPJDLTYBOLIL-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCC[N@H+](C)[C@@](C)(C[NH3+])COC 53197900 572424631 /nfs/dbraw/zinc/42/46/31/572424631.db2.gz FMIPJDLTYBOLIL-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCCC[N@@H+](C)[C@@](C)(C[NH3+])COC 53197900 572424636 /nfs/dbraw/zinc/42/46/36/572424636.db2.gz FMIPJDLTYBOLIL-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[N@@H+](C)CC1(CC[NH3+])CC1 83853305 572424738 /nfs/dbraw/zinc/42/47/38/572424738.db2.gz SQBWISBZOJXQOJ-UHFFFAOYSA-N 2 1 170.300 1.457 10 0 ADAEMP CC[C@@H](C)c1[nH+]ccn1CC[NH3+] 238798903 572425227 /nfs/dbraw/zinc/42/52/27/572425227.db2.gz BANBGTKFIAKLLC-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CC[NH2+]CC[N@@H+](C)[C@@H](C)CC 88393600 572434596 /nfs/dbraw/zinc/43/45/96/572434596.db2.gz RHEGADZQOQUVBX-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)[C@@H](C)CC 88393597 572434818 /nfs/dbraw/zinc/43/48/18/572434818.db2.gz FCIKKDHPYNXSAZ-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC1(C)CCC[C@@H](C[C@H]([NH3+])C[NH3+])C1 44477152 572425856 /nfs/dbraw/zinc/42/58/56/572425856.db2.gz UVLGGYDUYKOKQO-UWVGGRQHSA-N 2 1 184.327 1.879 10 0 ADAEMP CCc1[nH+]ccn1CC1(CC[NH3+])CC1 83853765 572426735 /nfs/dbraw/zinc/42/67/35/572426735.db2.gz IDRANPWBIFQXJS-UHFFFAOYSA-N 2 1 193.294 1.575 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]C2CCC2)C1 44481710 572425960 /nfs/dbraw/zinc/42/59/60/572425960.db2.gz FHIOAMHDRUKGOK-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC2)C1 44481711 572428157 /nfs/dbraw/zinc/42/81/57/572428157.db2.gz FHIOAMHDRUKGOK-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC1(C)CCC[C@@H](C[C@@H]([NH3+])C[NH3+])C1 44477158 572426116 /nfs/dbraw/zinc/42/61/16/572426116.db2.gz UVLGGYDUYKOKQO-VHSXEESVSA-N 2 1 184.327 1.879 10 0 ADAEMP CC1(C)CCC[C@H](C[C@@H]([NH3+])C[NH3+])C1 44477155 572426127 /nfs/dbraw/zinc/42/61/27/572426127.db2.gz UVLGGYDUYKOKQO-NXEZZACHSA-N 2 1 184.327 1.879 10 0 ADAEMP Cc1[nH+]cn(CC2(CC[NH3+])CC2)c1C 83853777 572426286 /nfs/dbraw/zinc/42/62/86/572426286.db2.gz MIHHCLFFZOGAPR-UHFFFAOYSA-N 2 1 193.294 1.629 10 0 ADAEMP C1CC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 44481131 572426481 /nfs/dbraw/zinc/42/64/81/572426481.db2.gz PRAQITIJLGXNFF-RYUDHWBXSA-N 2 1 194.322 1.755 10 0 ADAEMP C1CC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 44481131 572426484 /nfs/dbraw/zinc/42/64/84/572426484.db2.gz PRAQITIJLGXNFF-RYUDHWBXSA-N 2 1 194.322 1.755 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1C[C@@H]2CC[C@H]1C2 238238270 572426582 /nfs/dbraw/zinc/42/65/82/572426582.db2.gz TXHLUDWMLSKCLS-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1C[C@@H]2CC[C@H]1C2 238238270 572426586 /nfs/dbraw/zinc/42/65/86/572426586.db2.gz TXHLUDWMLSKCLS-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)CCC[C@H](C[C@H]([NH3+])C[NH3+])C1 44477149 572426605 /nfs/dbraw/zinc/42/66/05/572426605.db2.gz UVLGGYDUYKOKQO-ZJUUUORDSA-N 2 1 184.327 1.879 10 0 ADAEMP C1CC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 44481133 572427933 /nfs/dbraw/zinc/42/79/33/572427933.db2.gz PRAQITIJLGXNFF-NEPJUHHUSA-N 2 1 194.322 1.755 10 0 ADAEMP C1CC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 44481133 572427936 /nfs/dbraw/zinc/42/79/36/572427936.db2.gz PRAQITIJLGXNFF-NEPJUHHUSA-N 2 1 194.322 1.755 10 0 ADAEMP CC[NH2+][C@@H](C[NH+]1CCCC1)C(C)C 83824152 572430308 /nfs/dbraw/zinc/43/03/08/572430308.db2.gz OLMVYRUUXMLJFA-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 87364874 572430620 /nfs/dbraw/zinc/43/06/20/572430620.db2.gz HJEHDHQKLDZJII-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1Cc1ccco1 76635030 572430824 /nfs/dbraw/zinc/43/08/24/572430824.db2.gz YNFPIYRQDJPHOI-UHFFFAOYSA-N 2 1 191.234 1.026 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@](C)(C[NH3+])C1(C)CC1 87364001 572430851 /nfs/dbraw/zinc/43/08/51/572430851.db2.gz KUTCGXLLNLGYLH-KOLCDFICSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCC[N@H+]1CCF 308021055 572430981 /nfs/dbraw/zinc/43/09/81/572430981.db2.gz UNVKKSCHUFPFEA-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP CCC[NH2+][C@@](C)(C[NH3+])C1(C)CC1 87363825 572431437 /nfs/dbraw/zinc/43/14/37/572431437.db2.gz PFLFMFWJJNZXCU-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)C[NH2+][C@](C)(C[NH3+])C1(C)CC1 87364010 572431182 /nfs/dbraw/zinc/43/11/82/572431182.db2.gz YOLRVMRENMQWTE-LLVKDONJSA-N 2 1 184.327 1.750 10 0 ADAEMP CC1([C@](C)(C[NH3+])[NH2+]CC2CC2)CC1 87364023 572431363 /nfs/dbraw/zinc/43/13/63/572431363.db2.gz HMKBBIJSOQHODX-NSHDSACASA-N 2 1 182.311 1.504 10 0 ADAEMP CC1([C@@](C)(C[NH3+])[NH2+]C2CC2)CC1 87363834 572431394 /nfs/dbraw/zinc/43/13/94/572431394.db2.gz FKSRMJANUACKBO-SNVBAGLBSA-N 2 1 168.284 1.256 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 87364877 572431744 /nfs/dbraw/zinc/43/17/44/572431744.db2.gz HJEHDHQKLDZJII-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C/C=C\C[N@@H+]1CCC[C@H](C[NH2+]C)C1 88353181 572431788 /nfs/dbraw/zinc/43/17/88/572431788.db2.gz HWNOWWXIVOGMOQ-DLRQAJBASA-N 2 1 182.311 1.494 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCC[N@H+]1CCF 308021038 572431936 /nfs/dbraw/zinc/43/19/36/572431936.db2.gz UNVKKSCHUFPFEA-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP CC(C)[NH2+][C@@](C)(C[NH3+])C1(C)CC1 87363829 572432037 /nfs/dbraw/zinc/43/20/37/572432037.db2.gz IFVGPJHTMDWGIV-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@@H](C)[NH2+][C@](C)(C[NH3+])C1(C)CC1 87364004 572432531 /nfs/dbraw/zinc/43/25/31/572432531.db2.gz KUTCGXLLNLGYLH-MWLCHTKSSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H](C)[NH2+][C@](C)(C[NH3+])C1(C)CC1 87364006 572432641 /nfs/dbraw/zinc/43/26/41/572432641.db2.gz KUTCGXLLNLGYLH-GXSJLCMTSA-N 2 1 184.327 1.892 10 0 ADAEMP CC1([C@@](C)(C[NH3+])[NH2+]CC2CC2)CC1 87364020 572432727 /nfs/dbraw/zinc/43/27/27/572432727.db2.gz HMKBBIJSOQHODX-LLVKDONJSA-N 2 1 182.311 1.504 10 0 ADAEMP CC1([C@](C)(C[NH3+])[NH2+]C2CC2)CC1 87363837 572433228 /nfs/dbraw/zinc/43/32/28/572433228.db2.gz FKSRMJANUACKBO-JTQLQIEISA-N 2 1 168.284 1.256 10 0 ADAEMP NC(=[NH2+])CC[N@@H+](CC1CCC1)C1CC1 83839244 572433321 /nfs/dbraw/zinc/43/33/21/572433321.db2.gz URIZZBRKBKKHAU-UHFFFAOYSA-N 2 1 195.310 1.577 10 0 ADAEMP CC[N@@H+](CCC(N)=[NH2+])CC1CCC1 83839241 572433335 /nfs/dbraw/zinc/43/33/35/572433335.db2.gz XRWXNPNUALLONA-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])CC1CCC1 83838088 572433408 /nfs/dbraw/zinc/43/34/08/572433408.db2.gz XQIZWTGTMZGUIQ-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]1CCF 308021048 572433453 /nfs/dbraw/zinc/43/34/53/572433453.db2.gz UNVKKSCHUFPFEA-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)[C@H](C)CC 88393598 572434998 /nfs/dbraw/zinc/43/49/98/572434998.db2.gz FCIKKDHPYNXSAZ-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)[NH2+][C@](C)(C[NH3+])C1(C)CC1 87363832 572433683 /nfs/dbraw/zinc/43/36/83/572433683.db2.gz IFVGPJHTMDWGIV-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@H](C)[NH2+][C@@](C)(C[NH3+])C1(C)CC1 87364002 572433758 /nfs/dbraw/zinc/43/37/58/572433758.db2.gz KUTCGXLLNLGYLH-ONGXEEELSA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)C[NH2+][C@@](C)(C[NH3+])C1(C)CC1 87364009 572433861 /nfs/dbraw/zinc/43/38/61/572433861.db2.gz YOLRVMRENMQWTE-NSHDSACASA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[NH2+][C@](C)(C[NH3+])C1(C)CC1 87363828 572433928 /nfs/dbraw/zinc/43/39/28/572433928.db2.gz PFLFMFWJJNZXCU-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@@H](C)C(N)=[NH2+] 83839239 572434119 /nfs/dbraw/zinc/43/41/19/572434119.db2.gz PUIRVUCWYVQCID-SECBINFHSA-N 2 1 197.326 1.680 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCC2)C1 83838408 572434167 /nfs/dbraw/zinc/43/41/67/572434167.db2.gz YUMWTCDWFXTOOL-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@H]2CCC[NH2+]C2)C1 250552882 572434261 /nfs/dbraw/zinc/43/42/61/572434261.db2.gz AOBNZBFPUFATKK-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP CC[NH2+]CC[N@H+](C)[C@@H](C)CC 88393600 572434593 /nfs/dbraw/zinc/43/45/93/572434593.db2.gz RHEGADZQOQUVBX-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CC2CCC2)C1 83838406 572434695 /nfs/dbraw/zinc/43/46/95/572434695.db2.gz YUMWTCDWFXTOOL-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@H+]1CC1CCC1 83839361 572434711 /nfs/dbraw/zinc/43/47/11/572434711.db2.gz AIQGEZYLKWNYJY-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)[C@@H](C)CC 88393597 572434822 /nfs/dbraw/zinc/43/48/22/572434822.db2.gz FCIKKDHPYNXSAZ-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)[C@H](C)CC 88393598 572435005 /nfs/dbraw/zinc/43/50/05/572435005.db2.gz FCIKKDHPYNXSAZ-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@H](C)C[NH3+] 83838125 572435200 /nfs/dbraw/zinc/43/52/00/572435200.db2.gz FDVODVORPLXAJN-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@H]2CCC[NH2+]C2)C1 250552875 572435237 /nfs/dbraw/zinc/43/52/37/572435237.db2.gz AOBNZBFPUFATKK-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]CC2CCC2)C1 83838414 572435816 /nfs/dbraw/zinc/43/58/16/572435816.db2.gz NCFJSZZWGCQRLW-NSHDSACASA-N 2 1 182.311 1.328 10 0 ADAEMP CC[N@@H+](CC1CCC1)C1CC[NH2+]CC1 83839900 572435831 /nfs/dbraw/zinc/43/58/31/572435831.db2.gz XLWNJYNZBUCQSL-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]C1(C[NH2+]CCC(F)(F)F)CC1 83837451 572435877 /nfs/dbraw/zinc/43/58/77/572435877.db2.gz ZFAKAXJXDAUFIT-UHFFFAOYSA-N 2 1 182.189 1.020 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]CC2CCC2)C1 83838412 572436529 /nfs/dbraw/zinc/43/65/29/572436529.db2.gz NCFJSZZWGCQRLW-LLVKDONJSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@H+]1CC1CCC1 83839362 572436207 /nfs/dbraw/zinc/43/62/07/572436207.db2.gz AIQGEZYLKWNYJY-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@@H+](CCC(N)=[NH2+])CC1CCC1 83839242 572436372 /nfs/dbraw/zinc/43/63/72/572436372.db2.gz JQMRXNNVNKJDOT-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP [NH3+]CCC[N@@H+](CC1CCC1)C1CC1 83838091 572436591 /nfs/dbraw/zinc/43/65/91/572436591.db2.gz NWRJAPKEZIOMRG-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CCCC1CC[NH+](CC2([NH3+])CC2)CC1 83837330 572436734 /nfs/dbraw/zinc/43/67/34/572436734.db2.gz KCIPXTPKHYCZGK-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(=O)[C@@H]1CCC[N@H+]1CCC(C)(C)[NH3+] 74237023 572438034 /nfs/dbraw/zinc/43/80/34/572438034.db2.gz WCKHOZQSMVMGLW-JTQLQIEISA-N 2 1 198.310 1.167 10 0 ADAEMP CC[NH2+]CC[N@H+](C)[C@H](C)CC 88393599 572437474 /nfs/dbraw/zinc/43/74/74/572437474.db2.gz RHEGADZQOQUVBX-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[NH2+]CC[N@@H+](C)[C@H](C)CC 88393599 572437477 /nfs/dbraw/zinc/43/74/77/572437477.db2.gz RHEGADZQOQUVBX-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]CCC2CC2)CC1 83894027 572437836 /nfs/dbraw/zinc/43/78/36/572437836.db2.gz UGYPPACZEUXADH-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)CCC(F)(F)F 83879262 572437823 /nfs/dbraw/zinc/43/78/23/572437823.db2.gz QQRMUIIIJQSOOL-SSDOTTSWSA-N 2 1 198.232 1.608 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CCC(F)(F)F 83879262 572437827 /nfs/dbraw/zinc/43/78/27/572437827.db2.gz QQRMUIIIJQSOOL-SSDOTTSWSA-N 2 1 198.232 1.608 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CCC(F)(F)F 83879261 572437898 /nfs/dbraw/zinc/43/78/98/572437898.db2.gz QQRMUIIIJQSOOL-ZETCQYMHSA-N 2 1 198.232 1.608 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)CCC(F)(F)F 83879261 572437895 /nfs/dbraw/zinc/43/78/95/572437895.db2.gz QQRMUIIIJQSOOL-ZETCQYMHSA-N 2 1 198.232 1.608 10 0 ADAEMP CC(C)=CC[N@H+]1CCC[C@H](C[NH3+])C1 44529430 572438449 /nfs/dbraw/zinc/43/84/49/572438449.db2.gz WYKRBCIURQRGIX-LLVKDONJSA-N 2 1 182.311 1.623 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@H]2CC1 76637066 572438622 /nfs/dbraw/zinc/43/86/22/572438622.db2.gz JVKJBJOIMTZWEQ-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH2+]CCC2CC2)C1 83893312 572438676 /nfs/dbraw/zinc/43/86/76/572438676.db2.gz FOICIKYSOYBDQU-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)=CC[N@H+]1CCC[C@@H](C[NH3+])C1 44529432 572438700 /nfs/dbraw/zinc/43/87/00/572438700.db2.gz WYKRBCIURQRGIX-NSHDSACASA-N 2 1 182.311 1.623 10 0 ADAEMP C[N@H+]1CCC[C@H](CN2CCCC2=[NH2+])C1 44537546 572438851 /nfs/dbraw/zinc/43/88/51/572438851.db2.gz JIBRWBPVBLVXCE-JTQLQIEISA-N 2 1 195.310 1.401 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]CCC2CC2)CC1 83894028 572439038 /nfs/dbraw/zinc/43/90/38/572439038.db2.gz UGYPPACZEUXADH-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1C[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C[N@H+]1C 76637076 572439263 /nfs/dbraw/zinc/43/92/63/572439263.db2.gz XFSDOTXKOSJGQT-MXWKQRLJSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@H+]1CC[C@H]2[NH2+]CCC(C)(C)[C@H]2CC1 76637067 572439478 /nfs/dbraw/zinc/43/94/78/572439478.db2.gz JVKJBJOIMTZWEQ-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@H](C[NH3+])C1 44527627 572439727 /nfs/dbraw/zinc/43/97/27/572439727.db2.gz GQUSHQHIIQTLLT-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH2+]CCC2CC2)C1 83893311 572440195 /nfs/dbraw/zinc/44/01/95/572440195.db2.gz FOICIKYSOYBDQU-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CC[N@H+](C)[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 76637054 572440587 /nfs/dbraw/zinc/44/05/87/572440587.db2.gz LEJUOFNHPYUKDE-GMTAPVOTSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CC(C)(C)[NH2+][C@@H]2C1 76637054 572440589 /nfs/dbraw/zinc/44/05/89/572440589.db2.gz LEJUOFNHPYUKDE-GMTAPVOTSA-N 2 1 196.338 1.857 10 0 ADAEMP C[N@H+]1CC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2CC1 76637069 572440636 /nfs/dbraw/zinc/44/06/36/572440636.db2.gz JVKJBJOIMTZWEQ-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+]1CC[C@@H]2[C@@H](CC1)[NH2+]CCC2(C)C 76637070 572440698 /nfs/dbraw/zinc/44/06/98/572440698.db2.gz JVKJBJOIMTZWEQ-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@H]2[NH2+]CCC(C)(C)[C@@H]2C[N@H+]1C 76637072 572440857 /nfs/dbraw/zinc/44/08/57/572440857.db2.gz XFSDOTXKOSJGQT-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@H+]1C[C@H]2C[NH2+]C3(CCCC3)[C@H]2C1 250552156 572441946 /nfs/dbraw/zinc/44/19/46/572441946.db2.gz AKORLQLDXXOGGY-ZJUUUORDSA-N 2 1 180.295 1.080 10 0 ADAEMP CCn1cc[nH+]c1CC1CC[NH2+]CC1 68890490 572441963 /nfs/dbraw/zinc/44/19/63/572441963.db2.gz FLGAXMAEIDIGHX-UHFFFAOYSA-N 2 1 193.294 1.445 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CCC(F)(F)F 83878897 572441969 /nfs/dbraw/zinc/44/19/69/572441969.db2.gz JBDGQFUBKQTCBG-UHFFFAOYSA-N 2 1 198.232 1.610 10 0 ADAEMP Cc1cc2c(o1)C[N@@H+](C)C[C@H]2CC[NH3+] 76636096 572442243 /nfs/dbraw/zinc/44/22/43/572442243.db2.gz GQTKYEDWHISMNG-SECBINFHSA-N 2 1 194.278 1.466 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 83895138 572442493 /nfs/dbraw/zinc/44/24/93/572442493.db2.gz NFEAKAVNDMWKME-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H]([NH3+])C[NH+]1CCC(F)CC1 689452593 572442532 /nfs/dbraw/zinc/44/25/32/572442532.db2.gz PKNHFXVISUFQCR-SNVBAGLBSA-N 2 1 188.290 1.404 10 0 ADAEMP CC(C)C[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855978 572442628 /nfs/dbraw/zinc/44/26/28/572442628.db2.gz KQOCTPRGZTYXJY-UHFFFAOYSA-N 2 1 197.326 1.680 10 0 ADAEMP C(C[NH2+]C1CC1)[NH2+]CCC1CC1 83895356 572442776 /nfs/dbraw/zinc/44/27/76/572442776.db2.gz LPOAGCICIJTNHU-UHFFFAOYSA-N 2 1 168.284 1.128 10 0 ADAEMP C/C=C\C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 88359127 572442891 /nfs/dbraw/zinc/44/28/91/572442891.db2.gz WNMRLJQEKPJPHY-NZPIVRBNSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2(CC(N)=[NH2+])CC2)C1 83856032 572442972 /nfs/dbraw/zinc/44/29/72/572442972.db2.gz KJLRLIGTRDAUHW-VIFPVBQESA-N 2 1 195.310 1.434 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](CCC2CC2)C1 83895240 572443057 /nfs/dbraw/zinc/44/30/57/572443057.db2.gz XQJDVMCVOSCIGU-JTQLQIEISA-N 2 1 168.284 1.067 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccco2)CC1 76636117 572443086 /nfs/dbraw/zinc/44/30/86/572443086.db2.gz CPWQOFGIKGWUCS-SNVBAGLBSA-N 2 1 194.278 1.593 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH2+]C3(CCCC3)[C@H]2C1 250552153 572443122 /nfs/dbraw/zinc/44/31/22/572443122.db2.gz AKORLQLDXXOGGY-UWVGGRQHSA-N 2 1 180.295 1.080 10 0 ADAEMP CC[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855966 572443138 /nfs/dbraw/zinc/44/31/38/572443138.db2.gz CFFXGVVFBLVLDA-UHFFFAOYSA-N 2 1 169.272 1.044 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@@H+](CCC2CC2)C1 83895238 572444811 /nfs/dbraw/zinc/44/48/11/572444811.db2.gz LGLZFEQCMUBAHT-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@H](CC[NH3+])C1CC1 250552116 572443261 /nfs/dbraw/zinc/44/32/61/572443261.db2.gz AJWVOANUOCONDD-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](CCC2CC2)C1 83895124 572445397 /nfs/dbraw/zinc/44/53/97/572445397.db2.gz BZPVRFVTQVZASJ-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP [NH3+]C[C@H]([NH3+])C/C=C/c1ccccc1 238805551 572443469 /nfs/dbraw/zinc/44/34/69/572443469.db2.gz CJEPOHRLGMZCFJ-TZOMUSMUSA-N 2 1 176.263 1.376 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](CCC2CC2)C1 83895123 572443506 /nfs/dbraw/zinc/44/35/06/572443506.db2.gz BZPVRFVTQVZASJ-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP CNC(C)(C)C[N@H+]1CCCC[C@H]1C 61319412 572443508 /nfs/dbraw/zinc/44/35/08/572443508.db2.gz CKMJSWRDILQZLL-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CCC2CC2)C1 83895123 572443509 /nfs/dbraw/zinc/44/35/09/572443509.db2.gz BZPVRFVTQVZASJ-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](CCC2CC2)C1 83895150 572443554 /nfs/dbraw/zinc/44/35/54/572443554.db2.gz QLWHTLGBFNLQPJ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CCC2CC2)C1 83895150 572443557 /nfs/dbraw/zinc/44/35/57/572443557.db2.gz QLWHTLGBFNLQPJ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C1CC[C@H](C[NH2+]CCC2CC2)[NH2+]C1 83895322 572443599 /nfs/dbraw/zinc/44/35/99/572443599.db2.gz KMZCQRYDVJVAMW-LLVKDONJSA-N 2 1 182.311 1.518 10 0 ADAEMP CC(C)=CC[N@@H+]1CCCC[C@@H]1C[NH3+] 44557451 572443798 /nfs/dbraw/zinc/44/37/98/572443798.db2.gz NECGFBLQTXIBTG-LLVKDONJSA-N 2 1 182.311 1.766 10 0 ADAEMP CC(C)=CC[N@H+]1CCCC[C@@H]1C[NH3+] 44557451 572443805 /nfs/dbraw/zinc/44/38/05/572443805.db2.gz NECGFBLQTXIBTG-LLVKDONJSA-N 2 1 182.311 1.766 10 0 ADAEMP CCC[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855977 572443954 /nfs/dbraw/zinc/44/39/54/572443954.db2.gz JNTVYAUDXZZDPN-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]CCC1CC1 83894773 572443977 /nfs/dbraw/zinc/44/39/77/572443977.db2.gz RUOQFSUQFKEDNF-UHFFFAOYSA-N 2 1 193.294 1.581 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 83895137 572443995 /nfs/dbraw/zinc/44/39/95/572443995.db2.gz NFEAKAVNDMWKME-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](CC(C2CC2)C2CC2)C1 83895194 572444073 /nfs/dbraw/zinc/44/40/73/572444073.db2.gz NZFAZDFGNWTLPP-NSHDSACASA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](CC(C2CC2)C2CC2)C1 83895194 572444078 /nfs/dbraw/zinc/44/40/78/572444078.db2.gz NZFAZDFGNWTLPP-NSHDSACASA-N 2 1 194.322 1.456 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2(CC(N)=[NH2+])CC2)C1 83856031 572444106 /nfs/dbraw/zinc/44/41/06/572444106.db2.gz KJLRLIGTRDAUHW-SECBINFHSA-N 2 1 195.310 1.434 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[N@@H+](CCC2CC2)C1 83895237 572444196 /nfs/dbraw/zinc/44/41/96/572444196.db2.gz LGLZFEQCMUBAHT-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1C 83895155 572444279 /nfs/dbraw/zinc/44/42/79/572444279.db2.gz XUXUGDOZRAYYJF-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CC1CC1)CC1(CC(N)=[NH2+])CC1 83856030 572444321 /nfs/dbraw/zinc/44/43/21/572444321.db2.gz BLTRSSLWPKRPOG-UHFFFAOYSA-N 2 1 195.310 1.434 10 0 ADAEMP CNC(C)(C)C[N@H+]1CCCC[C@@H]1C 61319414 572444360 /nfs/dbraw/zinc/44/43/60/572444360.db2.gz CKMJSWRDILQZLL-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855980 572444410 /nfs/dbraw/zinc/44/44/10/572444410.db2.gz NXTMSZWAEOJAGQ-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](Cc2ccco2)CC1 76636115 572444691 /nfs/dbraw/zinc/44/46/91/572444691.db2.gz CPWQOFGIKGWUCS-JTQLQIEISA-N 2 1 194.278 1.593 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 83895140 572444861 /nfs/dbraw/zinc/44/48/61/572444861.db2.gz NFEAKAVNDMWKME-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@H](CC[NH3+])C1CC1 250552117 572444900 /nfs/dbraw/zinc/44/49/00/572444900.db2.gz AJWVOANUOCONDD-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C1CC[C@@H](C[NH2+]CCC2CC2)[NH2+]C1 83895321 572444964 /nfs/dbraw/zinc/44/49/64/572444964.db2.gz KMZCQRYDVJVAMW-NSHDSACASA-N 2 1 182.311 1.518 10 0 ADAEMP CCCC[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855935 572445024 /nfs/dbraw/zinc/44/50/24/572445024.db2.gz RKIKFKRUEYWVDX-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP CC(C)=CC[N@@H+]1CCCC[C@H]1C[NH3+] 44557453 572445087 /nfs/dbraw/zinc/44/50/87/572445087.db2.gz NECGFBLQTXIBTG-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP CC(C)=CC[N@H+]1CCCC[C@H]1C[NH3+] 44557453 572445091 /nfs/dbraw/zinc/44/50/91/572445091.db2.gz NECGFBLQTXIBTG-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP CC[N@@H+](CC1(CC(N)=[NH2+])CC1)C(C)C 83855969 572445099 /nfs/dbraw/zinc/44/50/99/572445099.db2.gz ZFTSSXLRYYPWMH-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP Cc1[nH+]ccn1CC1(CC(N)=[NH2+])CC1 83856208 572445125 /nfs/dbraw/zinc/44/51/25/572445125.db2.gz YWIOMUXALIPARB-UHFFFAOYSA-N 2 1 192.266 1.298 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CCC2CC2)C1 83895244 572445133 /nfs/dbraw/zinc/44/51/33/572445133.db2.gz VCRQAKGBJQWNGN-LLVKDONJSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(CC(N)=[NH2+])CC1 83856027 572445170 /nfs/dbraw/zinc/44/51/70/572445170.db2.gz OGVXDLMOJWYLTR-VIFPVBQESA-N 2 1 195.310 1.577 10 0 ADAEMP Cc1cc2c(o1)C[N@@H+](C)C[C@@H]2CC[NH3+] 76636094 572445187 /nfs/dbraw/zinc/44/51/87/572445187.db2.gz GQTKYEDWHISMNG-VIFPVBQESA-N 2 1 194.278 1.466 10 0 ADAEMP CC[N@@H+](CC1(CC(N)=[NH2+])CC1)C1CC1 83855967 572445255 /nfs/dbraw/zinc/44/52/55/572445255.db2.gz YMOMZZRCJUXJPB-UHFFFAOYSA-N 2 1 195.310 1.577 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(CC(N)=[NH2+])CC1 83856026 572445279 /nfs/dbraw/zinc/44/52/79/572445279.db2.gz OGVXDLMOJWYLTR-SECBINFHSA-N 2 1 195.310 1.577 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855979 572445301 /nfs/dbraw/zinc/44/53/01/572445301.db2.gz NXTMSZWAEOJAGQ-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](CC(C2CC2)C2CC2)C1 83895195 572445327 /nfs/dbraw/zinc/44/53/27/572445327.db2.gz NZFAZDFGNWTLPP-LLVKDONJSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](CC(C2CC2)C2CC2)C1 83895195 572445334 /nfs/dbraw/zinc/44/53/34/572445334.db2.gz NZFAZDFGNWTLPP-LLVKDONJSA-N 2 1 194.322 1.456 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](CCC2CC2)C1 83895149 572445349 /nfs/dbraw/zinc/44/53/49/572445349.db2.gz QLWHTLGBFNLQPJ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CCC2CC2)C1 83895149 572445353 /nfs/dbraw/zinc/44/53/53/572445353.db2.gz QLWHTLGBFNLQPJ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC2CC2)C1 83895124 572445403 /nfs/dbraw/zinc/44/54/03/572445403.db2.gz BZPVRFVTQVZASJ-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[NH+]1CCC(F)CC1 689452592 572445496 /nfs/dbraw/zinc/44/54/96/572445496.db2.gz PKNHFXVISUFQCR-JTQLQIEISA-N 2 1 188.290 1.404 10 0 ADAEMP CC(C)[N@@H+](C)CC1(CC(N)=[NH2+])CC1 83855949 572445629 /nfs/dbraw/zinc/44/56/29/572445629.db2.gz XHVZTWRIFXZZOD-UHFFFAOYSA-N 2 1 183.299 1.433 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](CCC2CC2)C1 83895239 572445852 /nfs/dbraw/zinc/44/58/52/572445852.db2.gz XQJDVMCVOSCIGU-SNVBAGLBSA-N 2 1 168.284 1.067 10 0 ADAEMP CCC[N@@H+](CC)CC1(CC(N)=[NH2+])CC1 83855974 572445818 /nfs/dbraw/zinc/44/58/18/572445818.db2.gz YGNLNSGCCRESDZ-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 83895139 572445915 /nfs/dbraw/zinc/44/59/15/572445915.db2.gz NFEAKAVNDMWKME-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCC2CC2)C1 83895243 572445944 /nfs/dbraw/zinc/44/59/44/572445944.db2.gz VCRQAKGBJQWNGN-NSHDSACASA-N 2 1 182.311 1.328 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC2CC2)C[C@H]1C 83895154 572445983 /nfs/dbraw/zinc/44/59/83/572445983.db2.gz XUXUGDOZRAYYJF-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CC1(CC(N)=[NH2+])CC1)C1CC1 83855968 572445990 /nfs/dbraw/zinc/44/59/90/572445990.db2.gz MUAHNGFBDYJMDC-UHFFFAOYSA-N 2 1 181.283 1.187 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@@H]([NH3+])C(C)C)C1 238241913 572446638 /nfs/dbraw/zinc/44/66/38/572446638.db2.gz AFGSFNOMFPXGPA-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@@H](C[N@H+]1CCC[C@@H]1C)C1CC1 68894727 572446859 /nfs/dbraw/zinc/44/68/59/572446859.db2.gz ZQCVRENCDYBAIC-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP c1[nH+]c2n(c1[C@H]1CC[NH2+]C1)CCCC2 107178000 572447113 /nfs/dbraw/zinc/44/71/13/572447113.db2.gz URLJMVZEISKTRL-VIFPVBQESA-N 2 1 191.278 1.296 10 0 ADAEMP CC[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 83865091 572447129 /nfs/dbraw/zinc/44/71/29/572447129.db2.gz HZWDEKQIQKKPIW-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)C[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 83865091 572447136 /nfs/dbraw/zinc/44/71/36/572447136.db2.gz HZWDEKQIQKKPIW-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CN1CCCC1=[NH2+] 44562964 572447325 /nfs/dbraw/zinc/44/73/25/572447325.db2.gz KOVZVDFEFOTQMG-SNVBAGLBSA-N 2 1 195.310 1.544 10 0 ADAEMP C[NH2+]C(C)(C)C[N@H+]1CC[C@@H](C)C1 61319654 572447393 /nfs/dbraw/zinc/44/73/93/572447393.db2.gz IZZXGFJKRUDICJ-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C(C)(C)C[N@H+]1CC[C@H](C)C1 61319655 572447560 /nfs/dbraw/zinc/44/75/60/572447560.db2.gz IZZXGFJKRUDICJ-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH2+]C)C1CC1 68900038 572448217 /nfs/dbraw/zinc/44/82/17/572448217.db2.gz PZGHURBPMCIYMO-JTQLQIEISA-N 2 1 193.294 1.444 10 0 ADAEMP CC[N@@H+](C)CC[C@H](C[NH3+])CC(C)C 83863133 572448450 /nfs/dbraw/zinc/44/84/50/572448450.db2.gz XXEDCZLTHBAAQM-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CC[N@@H+](C)CC[C@@H](C[NH3+])CC(C)C 83863135 572448563 /nfs/dbraw/zinc/44/85/63/572448563.db2.gz XXEDCZLTHBAAQM-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP Cc1[nH+]cn(C[C@H]([NH3+])C2CC2)c1C 68900229 572448723 /nfs/dbraw/zinc/44/87/23/572448723.db2.gz ACBMSJOJZJSVBD-JTQLQIEISA-N 2 1 179.267 1.237 10 0 ADAEMP CC[C@H](C)[N@H+](C)C[C@H]([NH2+]C)C1CC1 68894028 572449341 /nfs/dbraw/zinc/44/93/41/572449341.db2.gz GLMORACNFCGYLB-ONGXEEELSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@H]([NH2+]C)C1CC1 68894028 572449345 /nfs/dbraw/zinc/44/93/45/572449345.db2.gz GLMORACNFCGYLB-ONGXEEELSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C)C1CC1 68898420 572449359 /nfs/dbraw/zinc/44/93/59/572449359.db2.gz BIEPQTSVQBJNBP-JTQLQIEISA-N 2 1 179.267 1.190 10 0 ADAEMP CC[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 83865089 572449360 /nfs/dbraw/zinc/44/93/60/572449360.db2.gz HZWDEKQIQKKPIW-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 83865089 572449362 /nfs/dbraw/zinc/44/93/62/572449362.db2.gz HZWDEKQIQKKPIW-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)c1[nH+]ccn1C[C@H]([NH3+])C1CC1 68898945 572449376 /nfs/dbraw/zinc/44/93/76/572449376.db2.gz ACVAETIPVVULAI-JTQLQIEISA-N 2 1 193.294 1.744 10 0 ADAEMP [NH3+]CCCNc1cc(C2CC2)cc[nH+]1 107177838 572449523 /nfs/dbraw/zinc/44/95/23/572449523.db2.gz TVMVNLOQJPYIMN-UHFFFAOYSA-N 2 1 191.278 1.720 10 0 ADAEMP C[NH2+][C@@H](C[NH+]1CCC(C)CC1)C1CC1 68893421 572449718 /nfs/dbraw/zinc/44/97/18/572449718.db2.gz OEFLDNSDBCUKAW-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](C[C@H](N)C1CC1)C1CCCCC1 68893641 572450179 /nfs/dbraw/zinc/45/01/79/572450179.db2.gz BYZYVRBEEHNILW-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP CN(C[C@H]([NH3+])C1CC1)C1CCCCC1 68893641 572450181 /nfs/dbraw/zinc/45/01/81/572450181.db2.gz BYZYVRBEEHNILW-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH+]cn(C[C@@H]([NH3+])C2CC2)c1C 68900233 572450625 /nfs/dbraw/zinc/45/06/25/572450625.db2.gz ACBMSJOJZJSVBD-SNVBAGLBSA-N 2 1 179.267 1.237 10 0 ADAEMP [NH3+][C@H](CC1CCCC1)C[NH+]1CCCC1 74240820 572450871 /nfs/dbraw/zinc/45/08/71/572450871.db2.gz KLFFQNCZUPKOTC-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C1CCCCC1 74240786 572451020 /nfs/dbraw/zinc/45/10/20/572451020.db2.gz JKOBEYLTPOTZRD-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1[C@H](C2CCCC2)[C@H]([NH3+])CC[N@H+]1C 74240845 572451133 /nfs/dbraw/zinc/45/11/33/572451133.db2.gz CRDQHJJEWCCJGN-YUSALJHKSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@@H](C2CCCCC2)C1 74240775 572451139 /nfs/dbraw/zinc/45/11/39/572451139.db2.gz GUCXUVMGIQHDNM-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@@H](C2CCCCC2)C1 74240775 572451142 /nfs/dbraw/zinc/45/11/42/572451142.db2.gz GUCXUVMGIQHDNM-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCC1CC1 83940524 572451186 /nfs/dbraw/zinc/45/11/86/572451186.db2.gz RPZIUNMLXYPVAZ-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H](C[NH3+])C2CCC2)C1 250554283 572451300 /nfs/dbraw/zinc/45/13/00/572451300.db2.gz AUCBDCBXABSFII-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP [NH3+][C@@H](CC1CCCC1)C[NH+]1CCCC1 74240818 572451241 /nfs/dbraw/zinc/45/12/41/572451241.db2.gz KLFFQNCZUPKOTC-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@H](C2CCCCC2)C1 74240780 572451494 /nfs/dbraw/zinc/45/14/94/572451494.db2.gz GUCXUVMGIQHDNM-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@H](C2CCCCC2)C1 74240780 572451498 /nfs/dbraw/zinc/45/14/98/572451498.db2.gz GUCXUVMGIQHDNM-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1ncc([C@@H]([NH3+])CCC[NH+](C)C)[nH]1 74241160 572451580 /nfs/dbraw/zinc/45/15/80/572451580.db2.gz YXYOZQCTPCCLNL-VIFPVBQESA-N 2 1 196.298 1.060 10 0 ADAEMP C[NH2+][C@H](C[NH3+])CCc1ccccc1 61625142 572451816 /nfs/dbraw/zinc/45/18/16/572451816.db2.gz WVXQGQWUTMPEKQ-NSHDSACASA-N 2 1 178.279 1.166 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccsc1 74240908 572451887 /nfs/dbraw/zinc/45/18/87/572451887.db2.gz SUSXQSGZIQLUCN-NXEZZACHSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccsc1 74240908 572451889 /nfs/dbraw/zinc/45/18/89/572451889.db2.gz SUSXQSGZIQLUCN-NXEZZACHSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccsc1 74240906 572451950 /nfs/dbraw/zinc/45/19/50/572451950.db2.gz SUSXQSGZIQLUCN-VHSXEESVSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccsc1 74240906 572451955 /nfs/dbraw/zinc/45/19/55/572451955.db2.gz SUSXQSGZIQLUCN-VHSXEESVSA-N 2 1 196.319 1.842 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])[C@H](C2CCCC2)C[N@H+]1C 74240841 572451999 /nfs/dbraw/zinc/45/19/99/572451999.db2.gz PQVXDSMWSYNAGT-ADEWGFFLSA-N 2 1 196.338 1.844 10 0 ADAEMP Cc1ncc([C@H]([NH3+])CCC[NH+](C)C)[nH]1 74241158 572452030 /nfs/dbraw/zinc/45/20/30/572452030.db2.gz YXYOZQCTPCCLNL-SECBINFHSA-N 2 1 196.298 1.060 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])[C@H](C2CCCC2)C[N@H+]1C 74240837 572452277 /nfs/dbraw/zinc/45/22/77/572452277.db2.gz PQVXDSMWSYNAGT-USWWRNFRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C1CCCCC1 74240784 572452328 /nfs/dbraw/zinc/45/23/28/572452328.db2.gz JKOBEYLTPOTZRD-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[NH+](CC)CCCn1c[nH+]c(N)c1 74241126 572452714 /nfs/dbraw/zinc/45/27/14/572452714.db2.gz OSUKPVAQLJIHNV-UHFFFAOYSA-N 2 1 196.298 1.197 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCC1CC1 83940526 572452757 /nfs/dbraw/zinc/45/27/57/572452757.db2.gz RPZIUNMLXYPVAZ-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[NH2+]CC[NH2+]CC(C1CC1)C1CC1 83910886 572452820 /nfs/dbraw/zinc/45/28/20/572452820.db2.gz XKHGHWXIKAUXJU-UHFFFAOYSA-N 2 1 196.338 1.622 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC(C1CC1)C1CC1 83910805 572453354 /nfs/dbraw/zinc/45/33/54/572453354.db2.gz JVKORMXWUVIAMI-SECBINFHSA-N 2 1 196.338 1.620 10 0 ADAEMP C[NH2+]CC[NH2+]CC(C1CC1)C1CC1 83910947 572453638 /nfs/dbraw/zinc/45/36/38/572453638.db2.gz YSCXIOIMHGMRPF-UHFFFAOYSA-N 2 1 182.311 1.232 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CCC2CC2)CC[NH2+]1 83912329 572454304 /nfs/dbraw/zinc/45/43/04/572454304.db2.gz HZWBJVLLQFCZNQ-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]2[NH2+]CC(C)(C)[C@H]21 250348792 572454398 /nfs/dbraw/zinc/45/43/98/572454398.db2.gz QYGYDRDNHGLNFP-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@@H]2[NH2+]CC(C)(C)[C@H]21 250348792 572454401 /nfs/dbraw/zinc/45/44/01/572454401.db2.gz QYGYDRDNHGLNFP-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccs1 74240905 572454477 /nfs/dbraw/zinc/45/44/77/572454477.db2.gz LZKZQCFVWIFTFS-RKDXNWHRSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccs1 74240905 572454481 /nfs/dbraw/zinc/45/44/81/572454481.db2.gz LZKZQCFVWIFTFS-RKDXNWHRSA-N 2 1 196.319 1.842 10 0 ADAEMP [NH3+]CC[N@H+](CCC1CC1)C1CC1 83926200 572454495 /nfs/dbraw/zinc/45/44/95/572454495.db2.gz RXZOAWWKGCLJNL-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@@H+](CCC1CC1)C1CC1 83926200 572454498 /nfs/dbraw/zinc/45/44/98/572454498.db2.gz RXZOAWWKGCLJNL-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccs1 74240903 572454507 /nfs/dbraw/zinc/45/45/07/572454507.db2.gz LZKZQCFVWIFTFS-DTWKUNHWSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccs1 74240903 572454509 /nfs/dbraw/zinc/45/45/09/572454509.db2.gz LZKZQCFVWIFTFS-DTWKUNHWSA-N 2 1 196.319 1.842 10 0 ADAEMP CC[N@@H+]1CCC[C@H]2[NH2+]CC(C)(C)[C@H]21 250348795 572454599 /nfs/dbraw/zinc/45/45/99/572454599.db2.gz QYGYDRDNHGLNFP-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H](C[NH3+])C2CCC2)C1 250554279 572454602 /nfs/dbraw/zinc/45/46/02/572454602.db2.gz AUCBDCBXABSFII-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[N@H+]1CCC[C@H]2[NH2+]CC(C)(C)[C@H]21 250348795 572454603 /nfs/dbraw/zinc/45/46/03/572454603.db2.gz QYGYDRDNHGLNFP-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H](CC2CCCC2)C1 74240835 572454617 /nfs/dbraw/zinc/45/46/17/572454617.db2.gz OCZFMOPORYIQHK-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+](CCC1CC1)C[C@H](C)C[NH3+] 83926204 572454666 /nfs/dbraw/zinc/45/46/66/572454666.db2.gz BDGWDVSEHUSSGJ-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C1C[C@@H]2[C@@H]([NH2+]CCC3CC3)CC[N@@H+]2C1 83926453 572454853 /nfs/dbraw/zinc/45/48/53/572454853.db2.gz JDZJWTMIYQPHBD-NWDGAFQWSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@@H]2[C@@H]([NH2+]CCC3CC3)CC[N@H+]2C1 83926453 572454856 /nfs/dbraw/zinc/45/48/56/572454856.db2.gz JDZJWTMIYQPHBD-NWDGAFQWSA-N 2 1 194.322 1.613 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+](CCC2CC2)C1 83926240 572455081 /nfs/dbraw/zinc/45/50/81/572455081.db2.gz RLOVIICKOSIBNO-LLVKDONJSA-N 2 1 182.311 1.457 10 0 ADAEMP CC[N@@H+](CCC1CC1)C[C@@H](C)C[NH3+] 83926203 572455127 /nfs/dbraw/zinc/45/51/27/572455127.db2.gz BDGWDVSEHUSSGJ-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C1C[C@H]2[C@@H]([NH2+]CCC3CC3)CC[N@@H+]2C1 83926454 572455138 /nfs/dbraw/zinc/45/51/38/572455138.db2.gz JDZJWTMIYQPHBD-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]2[C@@H]([NH2+]CCC3CC3)CC[N@H+]2C1 83926454 572455141 /nfs/dbraw/zinc/45/51/41/572455141.db2.gz JDZJWTMIYQPHBD-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H](C[NH+]1CCCC1)[NH2+]CCC1CC1 83926425 572455545 /nfs/dbraw/zinc/45/55/45/572455545.db2.gz VMGGWQYORIWDGB-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]CCC2CC2)C1 83926381 572455555 /nfs/dbraw/zinc/45/55/55/572455555.db2.gz SYNYYSPDUUWNGV-NSHDSACASA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)CCC1CC1 83926206 572455718 /nfs/dbraw/zinc/45/57/18/572455718.db2.gz GRVFCDQHBBWQMT-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP [NH3+]CCC[N@@H+](CCC1CC1)C1CC1 83926180 572455985 /nfs/dbraw/zinc/45/59/85/572455985.db2.gz CZUJPUOHWOQKEA-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)CCC1CC1 83926205 572456002 /nfs/dbraw/zinc/45/60/02/572456002.db2.gz GRVFCDQHBBWQMT-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CC2)C1 83925990 572456123 /nfs/dbraw/zinc/45/61/23/572456123.db2.gz XKZRXUXARWODGK-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC2CC2)C1 83925991 572456216 /nfs/dbraw/zinc/45/62/16/572456216.db2.gz XKZRXUXARWODGK-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CC2)C1 83925989 572456275 /nfs/dbraw/zinc/45/62/75/572456275.db2.gz XKZRXUXARWODGK-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[N@@H+](CCC[NH3+])CCC1CC1 83926179 572456449 /nfs/dbraw/zinc/45/64/49/572456449.db2.gz UUMJHOCVOWTEDP-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)C[NH+](C)C 713947233 572456604 /nfs/dbraw/zinc/45/66/04/572456604.db2.gz YTVVYCPNXRAHAB-QMMMGPOBSA-N 2 1 167.256 1.314 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](CCC2CC2)C1 83912924 572456708 /nfs/dbraw/zinc/45/67/08/572456708.db2.gz ORWZVUWBNRKAJZ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](CCC2CC2)C1 83912924 572456712 /nfs/dbraw/zinc/45/67/12/572456712.db2.gz ORWZVUWBNRKAJZ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]CCC2CC2)C1 83926380 572456784 /nfs/dbraw/zinc/45/67/84/572456784.db2.gz SYNYYSPDUUWNGV-LLVKDONJSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)CCC1CC1 83926232 572456877 /nfs/dbraw/zinc/45/68/77/572456877.db2.gz OFHFAKIKBZTXNZ-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](CCC2CC2)C1 83912919 572456971 /nfs/dbraw/zinc/45/69/71/572456971.db2.gz ZMUGVMUTCAHFNV-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](CCC2CC2)C1 83912919 572456977 /nfs/dbraw/zinc/45/69/77/572456977.db2.gz ZMUGVMUTCAHFNV-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC2CC2)C1 83925988 572457104 /nfs/dbraw/zinc/45/71/04/572457104.db2.gz XKZRXUXARWODGK-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](CCC2CC2)C1 83912927 572457122 /nfs/dbraw/zinc/45/71/22/572457122.db2.gz ORWZVUWBNRKAJZ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](CCC2CC2)C1 83912927 572457127 /nfs/dbraw/zinc/45/71/27/572457127.db2.gz ORWZVUWBNRKAJZ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCC2CC2)C1 83926378 572457168 /nfs/dbraw/zinc/45/71/68/572457168.db2.gz DLSPAAMEPGPEDO-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)C[NH+](C)C 713947229 572457190 /nfs/dbraw/zinc/45/71/90/572457190.db2.gz YTVVYCPNXRAHAB-MRVPVSSYSA-N 2 1 167.256 1.314 10 0 ADAEMP C1C[C@H]2[C@H]([NH2+]CCC3CC3)CC[N@@H+]2C1 83926452 572457272 /nfs/dbraw/zinc/45/72/72/572457272.db2.gz JDZJWTMIYQPHBD-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]2[C@H]([NH2+]CCC3CC3)CC[N@H+]2C1 83926452 572457276 /nfs/dbraw/zinc/45/72/76/572457276.db2.gz JDZJWTMIYQPHBD-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH+](C)[C@@H](C[NH3+])CC(C)(C)C 61839683 572457342 /nfs/dbraw/zinc/45/73/42/572457342.db2.gz PGCDZIBVMBFZCF-MRVPVSSYSA-N 2 1 158.289 1.312 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCC2)C1 68954758 572457407 /nfs/dbraw/zinc/45/74/07/572457407.db2.gz JUPKVDBWFSFZAV-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+](CCC2CC2)C1 83926241 572457464 /nfs/dbraw/zinc/45/74/64/572457464.db2.gz RLOVIICKOSIBNO-NSHDSACASA-N 2 1 182.311 1.457 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CCC2CC2)C1 83926377 572457614 /nfs/dbraw/zinc/45/76/14/572457614.db2.gz DLSPAAMEPGPEDO-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@@H](C)C[NH2+]C 68948615 572457620 /nfs/dbraw/zinc/45/76/20/572457620.db2.gz KYXFCNSLBFYOGA-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)CCC1CC1 83926233 572457776 /nfs/dbraw/zinc/45/77/76/572457776.db2.gz OFHFAKIKBZTXNZ-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H](C[NH+]1CCCC1)[NH2+]CCC1CC1 83926424 572457725 /nfs/dbraw/zinc/45/77/25/572457725.db2.gz VMGGWQYORIWDGB-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H]1CC[N@@H+](CCC2CC2)CC[NH2+]1 83912332 572458062 /nfs/dbraw/zinc/45/80/62/572458062.db2.gz HZWBJVLLQFCZNQ-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1CC(F)(F)F 74242342 572458090 /nfs/dbraw/zinc/45/80/90/572458090.db2.gz YFSKGHAVCMYFJZ-NKWVEPMBSA-N 2 1 196.216 1.360 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1CC(F)(F)F 74242342 572458093 /nfs/dbraw/zinc/45/80/93/572458093.db2.gz YFSKGHAVCMYFJZ-NKWVEPMBSA-N 2 1 196.216 1.360 10 0 ADAEMP C1C[C@@H]2[C@H]([NH2+]CCC3CC3)CC[N@@H+]2C1 83926451 572458123 /nfs/dbraw/zinc/45/81/23/572458123.db2.gz JDZJWTMIYQPHBD-VXGBXAGGSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@@H]2[C@H]([NH2+]CCC3CC3)CC[N@H+]2C1 83926451 572458140 /nfs/dbraw/zinc/45/81/40/572458140.db2.gz JDZJWTMIYQPHBD-VXGBXAGGSA-N 2 1 194.322 1.613 10 0 ADAEMP CCC[N@@H+](CCC[NH3+])CCC1CC1 83926178 572458205 /nfs/dbraw/zinc/45/82/05/572458205.db2.gz ZEMFOOQIYFILJX-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP C[N@@H+](C1CCC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 68954768 572458339 /nfs/dbraw/zinc/45/83/39/572458339.db2.gz JSXUKVDJSZQCEL-DHHPTOIESA-N 2 1 194.322 1.754 10 0 ADAEMP C[NH+](C)[C@H](C[NH3+])CC(C)(C)C 61839682 572458380 /nfs/dbraw/zinc/45/83/80/572458380.db2.gz PGCDZIBVMBFZCF-QMMMGPOBSA-N 2 1 158.289 1.312 10 0 ADAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](CCC2CC2)C1 83926873 572460793 /nfs/dbraw/zinc/46/07/93/572460793.db2.gz VURQIGCENRXGBP-JTQLQIEISA-N 2 1 195.310 1.434 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCC1CC1 83926925 572459327 /nfs/dbraw/zinc/45/93/27/572459327.db2.gz LKVNIQXFAAPMOB-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+](C2CCC2)C1 68954765 572458756 /nfs/dbraw/zinc/45/87/56/572458756.db2.gz JUPKVDBWFSFZAV-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CS[C@H](C)CC[NH2+][C@H](C)C[NH3+] 235060854 572460808 /nfs/dbraw/zinc/46/08/08/572460808.db2.gz CYLAYBCQBJPLEU-HTQZYQBOSA-N 2 1 176.329 1.065 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+]1CCC1CC1 83926921 572458838 /nfs/dbraw/zinc/45/88/38/572458838.db2.gz CGGZNAASIWPGOF-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC1CC1 83935393 572458903 /nfs/dbraw/zinc/45/89/03/572458903.db2.gz RHFYEAIBYZBYGW-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@H+](CCC(N)=[NH2+])CCC1CC1 83926860 572458947 /nfs/dbraw/zinc/45/89/47/572458947.db2.gz LTLMJLBXGCFWMN-UHFFFAOYSA-N 2 1 169.272 1.044 10 0 ADAEMP CC[NH2+]CC[N@H+](CC)CCC1CC1 83926918 572459202 /nfs/dbraw/zinc/45/92/02/572459202.db2.gz VPKPSODVJALYNG-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[NH2+]CC[N@@H+](CC)CCC1CC1 83926918 572459208 /nfs/dbraw/zinc/45/92/08/572459208.db2.gz VPKPSODVJALYNG-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@H+]1CCC1CC1 83926937 572459253 /nfs/dbraw/zinc/45/92/53/572459253.db2.gz WMQQVBHPHNBRJJ-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H](C[N@@H+](C)CCC1CC1)C(N)=[NH2+] 83926863 572459503 /nfs/dbraw/zinc/45/95/03/572459503.db2.gz IDLUAAVXYNHAPC-QMMMGPOBSA-N 2 1 183.299 1.290 10 0 ADAEMP CC(C)[N@H+](CCC(N)=[NH2+])CCC1CC1 83926865 572459680 /nfs/dbraw/zinc/45/96/80/572459680.db2.gz DDXQHJDLEOWCCB-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[N@H+](CCC(N)=[NH2+])CCC1CC1 83926862 572460337 /nfs/dbraw/zinc/46/03/37/572460337.db2.gz FDXASXWETGZIOB-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC2CC2)C1 83935415 572460373 /nfs/dbraw/zinc/46/03/73/572460373.db2.gz NOPFYZNMHXMTHL-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP NC(=[NH2+])CC[N@@H+](CCC1CC1)C1CC1 83926866 572460485 /nfs/dbraw/zinc/46/04/85/572460485.db2.gz FALFNTXOWFRBEB-UHFFFAOYSA-N 2 1 195.310 1.577 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CCC1CC1 83926870 572460771 /nfs/dbraw/zinc/46/07/71/572460771.db2.gz AYYCUQPGTLZKJW-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@H+]1CCC1CC1 83926938 572461167 /nfs/dbraw/zinc/46/11/67/572461167.db2.gz WMQQVBHPHNBRJJ-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](CCC1CC1)C[C@@H](C)C(N)=[NH2+] 83926861 572461274 /nfs/dbraw/zinc/46/12/74/572461274.db2.gz AIUKOFUFBVRSER-SECBINFHSA-N 2 1 197.326 1.680 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@@H+](CCC2CC2)C1 83926960 572461560 /nfs/dbraw/zinc/46/15/60/572461560.db2.gz TYISQMCWPIIEBZ-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC1CC1 83926927 572461747 /nfs/dbraw/zinc/46/17/47/572461747.db2.gz LKVNIQXFAAPMOB-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC1CC1 83935390 572461878 /nfs/dbraw/zinc/46/18/78/572461878.db2.gz RHFYEAIBYZBYGW-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+](CCC1CC1)C1CC[NH2+]CC1 83935232 572461920 /nfs/dbraw/zinc/46/19/20/572461920.db2.gz YPBWWZYSRIOADN-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP 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/nfs/dbraw/zinc/46/27/09/572462709.db2.gz HWTUQUMIWKYJNV-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CSCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 69012043 572463517 /nfs/dbraw/zinc/46/35/17/572463517.db2.gz YEHHNKONSXMKSU-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CSCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 69012045 572463607 /nfs/dbraw/zinc/46/36/07/572463607.db2.gz YEHHNKONSXMKSU-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CCCC[N@@H+](C)[C@@H]1C[C@@H]([NH3+])C1(C)C 405247869 572463869 /nfs/dbraw/zinc/46/38/69/572463869.db2.gz GQXGXPFJWDORDM-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CSCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 69012047 572465061 /nfs/dbraw/zinc/46/50/61/572465061.db2.gz YEHHNKONSXMKSU-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CCC[NH2+]C1 69048483 572467287 /nfs/dbraw/zinc/46/72/87/572467287.db2.gz UFLOIRXQXDYHHX-JTQLQIEISA-N 2 1 193.294 1.445 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CCC[NH2+]C1 69048485 572468404 /nfs/dbraw/zinc/46/84/04/572468404.db2.gz UFLOIRXQXDYHHX-SNVBAGLBSA-N 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/nfs/dbraw/zinc/46/94/99/572469499.db2.gz AQHOVYGFYSPZCD-UHFFFAOYSA-N 2 1 181.283 1.154 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]CCC1CC1 83968408 572469689 /nfs/dbraw/zinc/46/96/89/572469689.db2.gz YNYDUWYMOXVRJP-UHFFFAOYSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]CCC1CC1 83968584 572469863 /nfs/dbraw/zinc/46/98/63/572469863.db2.gz HTYYCQAYSBWFSE-JTQLQIEISA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]CC(C1CC1)C1CC1 83968616 572469925 /nfs/dbraw/zinc/46/99/25/572469925.db2.gz ZXQKBGURSBJTAW-UHFFFAOYSA-N 2 1 196.338 1.750 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC1CC1 83968415 572470049 /nfs/dbraw/zinc/47/00/49/572470049.db2.gz GZHHTGMKWFMSPQ-LLVKDONJSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]CCC1CC1 83968512 572470112 /nfs/dbraw/zinc/47/01/12/572470112.db2.gz JENPBDFZTOGWFQ-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+](C2CC2)[C@@H]1C1CC1 74245618 572470564 /nfs/dbraw/zinc/47/05/64/572470564.db2.gz JQSIJIIBFBOASK-ZYHUDNBSSA-N 2 1 194.322 1.598 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H](C(F)(F)F)C1 250555084 572470607 /nfs/dbraw/zinc/47/06/07/572470607.db2.gz AYBHFBDDJCKJCR-RQJHMYQMSA-N 2 1 196.216 1.075 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]CC(C1CC1)C1CC1 83968610 572470728 /nfs/dbraw/zinc/47/07/28/572470728.db2.gz JPWMAAGKSBCNBO-LLVKDONJSA-N 2 1 196.338 1.750 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C1CCC1 250557174 572475130 /nfs/dbraw/zinc/47/51/30/572475130.db2.gz BLBICXVCJVOPLX-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]CCC1CC1 83968371 572470944 /nfs/dbraw/zinc/47/09/44/572470944.db2.gz RCNIJHHGJOPTFV-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CC(C1CC1)C1CC1 83968611 572471024 /nfs/dbraw/zinc/47/10/24/572471024.db2.gz XCHDHVGKPRENRH-QMMMGPOBSA-N 2 1 182.311 1.359 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 713714730 572471085 /nfs/dbraw/zinc/47/10/85/572471085.db2.gz BWAUFGDHIYYVHI-JYYSYOFASA-N 2 1 194.322 1.788 10 0 ADAEMP 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ZAZOHZCTYYNAOB-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@H]2CCCC[NH2+]2)C1 250557721 572474797 /nfs/dbraw/zinc/47/47/97/572474797.db2.gz BPAWZQJCMHJLNH-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]2CCCCC[C@@H]21 250556226 572475235 /nfs/dbraw/zinc/47/52/35/572475235.db2.gz BEZYZWQQVPWIQJ-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H]2C[C@@H](C[NH3+])C[C@@H]2CC1 250557147 572475479 /nfs/dbraw/zinc/47/54/79/572475479.db2.gz BJZZYKSYXXXTIX-RTCCRHLQSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](C2CCCC2)C1 250557729 572475532 /nfs/dbraw/zinc/47/55/32/572475532.db2.gz BPIUDVSDBPQBFF-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[NH2+]C1CC1 53493646 572475553 /nfs/dbraw/zinc/47/55/53/572475553.db2.gz BRPJKXVQRJAPCL-MRVPVSSYSA-N 2 1 156.273 1.127 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](C2CCCC2)C1 250557728 572475690 /nfs/dbraw/zinc/47/56/90/572475690.db2.gz BPIUDVSDBPQBFF-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CCC(C)C 53493273 572475847 /nfs/dbraw/zinc/47/58/47/572475847.db2.gz UMFUCIJIBWYWFD-VIFPVBQESA-N 2 1 158.289 1.230 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH2+]C3(CCCCC3)[C@H]2C1 250580095 572475966 /nfs/dbraw/zinc/47/59/66/572475966.db2.gz FWKSMHOKUFITHE-QWRGUYRKSA-N 2 1 194.322 1.470 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C1CCC1 250557175 572476597 /nfs/dbraw/zinc/47/65/97/572476597.db2.gz BLBICXVCJVOPLX-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C)CC[N@@H+]1CC[C@@H]([NH3+])C1 238263176 572478540 /nfs/dbraw/zinc/47/85/40/572478540.db2.gz NGCLEADRAORJJE-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]2CCCCC[C@H]21 250556224 572476644 /nfs/dbraw/zinc/47/66/44/572476644.db2.gz BEZYZWQQVPWIQJ-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C1CCCC1 250559181 572476768 /nfs/dbraw/zinc/47/67/68/572476768.db2.gz BWTKOFPUHXBHIT-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP 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C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1CC[NH3+] 250573758 572478812 /nfs/dbraw/zinc/47/88/12/572478812.db2.gz FECWGCUELSRCRO-RNFRBKRXSA-N 2 1 196.216 1.218 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 141440486 572479136 /nfs/dbraw/zinc/47/91/36/572479136.db2.gz QCEKPDMMGFQBLU-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1C1CCCCC1 250564873 572479142 /nfs/dbraw/zinc/47/91/42/572479142.db2.gz DCTKSSXRCUONNN-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@]12CC[C@@H](C[NH3+])C2 250563308 572479273 /nfs/dbraw/zinc/47/92/73/572479273.db2.gz CWSNDCCQKNCJPX-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H]([NH3+])CC[C@H]21 250560128 572479438 /nfs/dbraw/zinc/47/94/38/572479438.db2.gz CFOIKYDHBMJFQO-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1C[C@@H](CC2CC2)C[C@@H]([NH3+])C1 250571035 572479463 /nfs/dbraw/zinc/47/94/63/572479463.db2.gz DVEAQSZAMWYVAT-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1C[C@@H](CC2CC2)C[C@@H]([NH3+])C1 250571035 572479467 /nfs/dbraw/zinc/47/94/67/572479467.db2.gz DVEAQSZAMWYVAT-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1CCC1CC1 250569053 572479493 /nfs/dbraw/zinc/47/94/93/572479493.db2.gz DQFRSXCFHFSACP-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1CCC1CC1 250569047 572479569 /nfs/dbraw/zinc/47/95/69/572479569.db2.gz DQFRSXCFHFSACP-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@@H]2CCCC[C@H]21 250563125 572479595 /nfs/dbraw/zinc/47/95/95/572479595.db2.gz CVICGXHRIMWHDF-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@@H](CC[NH3+])C[C@H]1c1ccco1 250569160 572479958 /nfs/dbraw/zinc/47/99/58/572479958.db2.gz DQWHPEOZENEALA-UWVGGRQHSA-N 2 1 194.278 1.621 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@@H](CC2CC2)C1 250571033 572480135 /nfs/dbraw/zinc/48/01/35/572480135.db2.gz DVEAQSZAMWYVAT-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])C[C@@H](CC2CC2)C1 250571033 572480140 /nfs/dbraw/zinc/48/01/40/572480140.db2.gz DVEAQSZAMWYVAT-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CCC[C@H]2C[NH3+])C1 250561359 572481365 /nfs/dbraw/zinc/48/13/65/572481365.db2.gz CNUOTZBSVLESPG-QWRGUYRKSA-N 2 1 182.311 1.457 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H](C2CCCC2)C1 250573026 572480355 /nfs/dbraw/zinc/48/03/55/572480355.db2.gz FCQHBAXDLNTRRG-WDEREUQCSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@H]1CCC[NH2+]C1 250565535 572480541 /nfs/dbraw/zinc/48/05/41/572480541.db2.gz DEPPQZQIXBIMHV-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H](C)CC[N@H+]1CC[C@@H](C[NH3+])C1 238263167 572480598 /nfs/dbraw/zinc/48/05/98/572480598.db2.gz XOYVMXOPKDYGSQ-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C1CCCCC1 250564875 572480637 /nfs/dbraw/zinc/48/06/37/572480637.db2.gz DCTKSSXRCUONNN-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]2CCCC[C@H]21 250563128 572480681 /nfs/dbraw/zinc/48/06/81/572480681.db2.gz CVICGXHRIMWHDF-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C)CC[N@H+]1CCC[C@@H]([NH3+])C1 238263146 572480742 /nfs/dbraw/zinc/48/07/42/572480742.db2.gz OWBHHUMRUICQLF-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C=C/C=C/CC[N@@H+](C)[C@@H](C)C[NH2+]C 713716074 572480763 /nfs/dbraw/zinc/48/07/63/572480763.db2.gz AWFXUZOAEGEZGV-MLRMMBSGSA-N 2 1 182.311 1.658 10 0 ADAEMP C=C/C=C/CC[N@H+](C)[C@@H](C)C[NH2+]C 713716074 572480769 /nfs/dbraw/zinc/48/07/69/572480769.db2.gz AWFXUZOAEGEZGV-MLRMMBSGSA-N 2 1 182.311 1.658 10 0 ADAEMP CC[C@@H](C)CC[N@@H+]1CCC[C@@H]1C[NH3+] 238263156 572480837 /nfs/dbraw/zinc/48/08/37/572480837.db2.gz OGGIZILZXNXQSY-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)CC[N@H+]1CCC[C@@H]1C[NH3+] 238263156 572480841 /nfs/dbraw/zinc/48/08/41/572480841.db2.gz OGGIZILZXNXQSY-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])[C@H](C2CCCCC2)C1 250572834 572480944 /nfs/dbraw/zinc/48/09/44/572480944.db2.gz FBCKDUCZBBCBMU-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])[C@H](C2CCCCC2)C1 250572834 572480948 /nfs/dbraw/zinc/48/09/48/572480948.db2.gz FBCKDUCZBBCBMU-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C=C/C=C\CC[N@@H+](C)[C@@H](C)C[NH2+]C 713716079 572481037 /nfs/dbraw/zinc/48/10/37/572481037.db2.gz AWFXUZOAEGEZGV-ZADCQDASSA-N 2 1 182.311 1.658 10 0 ADAEMP C=C/C=C\CC[N@H+](C)[C@@H](C)C[NH2+]C 713716079 572481041 /nfs/dbraw/zinc/48/10/41/572481041.db2.gz AWFXUZOAEGEZGV-ZADCQDASSA-N 2 1 182.311 1.658 10 0 ADAEMP C[N@H+]1CC[C@@]2(CCC[C@@H]([NH3+])C2)C1 250629094 572481344 /nfs/dbraw/zinc/48/13/44/572481344.db2.gz QSVFDDNEJDMRTF-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H]([NH3+])CC[C@@H]21 250560126 572481141 /nfs/dbraw/zinc/48/11/41/572481141.db2.gz CFOIKYDHBMJFQO-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1c1ccncc1 250569044 572481190 /nfs/dbraw/zinc/48/11/90/572481190.db2.gz DQFJDBFLBBLPLL-ONGXEEELSA-N 2 1 191.278 1.033 10 0 ADAEMP 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LXFYWUYXCGDMIQ-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H](CC[NH3+])C1CCC1 250598361 572490936 /nfs/dbraw/zinc/49/09/36/572490936.db2.gz JINRWVXUOTXADI-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2CCC[C@@H]21 250608141 572490960 /nfs/dbraw/zinc/49/09/60/572490960.db2.gz LXPRLAPVYAXOEK-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H]2CC[C@H]([NH3+])C[C@H]2CC1 250596461 572490978 /nfs/dbraw/zinc/49/09/78/572490978.db2.gz IVHFDTDXDBPYGB-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+]1CCC[C@H]2CCC[NH2+][C@H]2C1 250600974 572491006 /nfs/dbraw/zinc/49/10/06/572491006.db2.gz KBNYCWIQTJCETM-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCC[C@H]2CCC[NH2+][C@H]2C1 250600974 572491010 /nfs/dbraw/zinc/49/10/10/572491010.db2.gz KBNYCWIQTJCETM-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccc[nH]2)C1 250606328 572491113 /nfs/dbraw/zinc/49/11/13/572491113.db2.gz LJFIRAMOYHUTQF-MWLCHTKSSA-N 2 1 193.294 1.356 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])c2ccc[nH]2)C1 250606328 572491118 /nfs/dbraw/zinc/49/11/18/572491118.db2.gz LJFIRAMOYHUTQF-MWLCHTKSSA-N 2 1 193.294 1.356 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1C[C@@H]2CC[C@H]1C2 238269345 572491227 /nfs/dbraw/zinc/49/12/27/572491227.db2.gz TXHLUDWMLSKCLS-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1C[C@@H]2CC[C@H]1C2 238269345 572491230 /nfs/dbraw/zinc/49/12/30/572491230.db2.gz TXHLUDWMLSKCLS-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@]2([NH3+])C[C@H]2C2CC2)C1 250607147 572491300 /nfs/dbraw/zinc/49/13/00/572491300.db2.gz LOTXQVBFGFFDCM-SRVKXCTJSA-N 2 1 194.322 1.456 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H](C[NH3+])C1CCC1 250600994 572491397 /nfs/dbraw/zinc/49/13/97/572491397.db2.gz KBXLUILZZRFTAQ-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C1CCCC1 250602478 572491517 /nfs/dbraw/zinc/49/15/17/572491517.db2.gz KLRYLGGBBNVUES-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 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572492763 /nfs/dbraw/zinc/49/27/63/572492763.db2.gz JTLGYSXGCBRSNK-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CC[C@@H]2CC[C@@H]([NH3+])C[C@H]2CC1 250596468 572492840 /nfs/dbraw/zinc/49/28/40/572492840.db2.gz IVHFDTDXDBPYGB-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1CC1CCCC1 250599138 572492866 /nfs/dbraw/zinc/49/28/66/572492866.db2.gz JNKUJJRBNPKRCY-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C1CCCCC1 250598647 572492948 /nfs/dbraw/zinc/49/29/48/572492948.db2.gz JKOBEYLTPOTZRD-NEPJUHHUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C1CCCC1 250602479 572492961 /nfs/dbraw/zinc/49/29/61/572492961.db2.gz KLRYLGGBBNVUES-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])c2cc[nH]c2)C1 250605160 572492982 /nfs/dbraw/zinc/49/29/82/572492982.db2.gz LAXQMKLIHIFJEW-QWRGUYRKSA-N 2 1 193.294 1.356 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](C2CCC2)CC1 250599142 572493024 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RYOCJMJUMKMKBO-UHFFFAOYSA-N 2 1 199.685 1.173 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](C2CCC2)CC1 250599143 572493394 /nfs/dbraw/zinc/49/33/94/572493394.db2.gz JNLVEXQDHPXBHS-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCCC[C@@H](C[C@H]2CCC[NH2+]2)C1 250604648 572493411 /nfs/dbraw/zinc/49/34/11/572493411.db2.gz KYBLBGHDHHPORL-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+]1CCC[C@@H]2CCC[NH2+][C@H]2C1 250600973 572493464 /nfs/dbraw/zinc/49/34/64/572493464.db2.gz KBNYCWIQTJCETM-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCC[C@@H]2CCC[NH2+][C@H]2C1 250600973 572493468 /nfs/dbraw/zinc/49/34/68/572493468.db2.gz KBNYCWIQTJCETM-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@@H+]1CC[C@@H]([C@@H]([NH3+])CC(F)(F)F)C1 250607700 572493657 /nfs/dbraw/zinc/49/36/57/572493657.db2.gz LUBIUFSVPDCBGH-RQJHMYQMSA-N 2 1 196.216 1.218 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])CC(F)(F)F)C1 250607700 572493661 /nfs/dbraw/zinc/49/36/61/572493661.db2.gz LUBIUFSVPDCBGH-RQJHMYQMSA-N 2 1 196.216 1.218 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H](CC[NH3+])C2CC2)C1 250602574 572493784 /nfs/dbraw/zinc/49/37/84/572493784.db2.gz KMQZAOUSOLAMBR-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](C[NH3+])c2ccco2)C1 250603986 572493804 /nfs/dbraw/zinc/49/38/04/572493804.db2.gz KTCCFUXZLAMYOQ-ZJUUUORDSA-N 2 1 194.278 1.274 10 0 ADAEMP C[N@H+]1CCCC[C@@]12CCC[C@H]2C[NH3+] 250600451 572493921 /nfs/dbraw/zinc/49/39/21/572493921.db2.gz JWOVRCYVCSLGGG-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CCCC[C@H](C[C@H]2CC[NH2+]C2)C1 250600056 572494102 /nfs/dbraw/zinc/49/41/02/572494102.db2.gz JTLGYSXGCBRSNK-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CCC[C@]2(CCC[C@@H]([NH3+])C2)C1 250604177 572494155 /nfs/dbraw/zinc/49/41/55/572494155.db2.gz KVAZPIHNFBWLHF-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H](C[NH3+])c2ccco2)C1 250603983 572494190 /nfs/dbraw/zinc/49/41/90/572494190.db2.gz KTCCFUXZLAMYOQ-UWVGGRQHSA-N 2 1 194.278 1.274 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CCC[C@H]2[NH3+])C1 250607276 572494289 /nfs/dbraw/zinc/49/42/89/572494289.db2.gz LQIUZPJQJAOSCR-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CC[C@@H]1[C@H](C[NH3+])C1CCCC1 250596510 572494298 /nfs/dbraw/zinc/49/42/98/572494298.db2.gz IVQPKNGNZKAAFA-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@H]1[C@H](C[NH3+])C1CCCC1 250596513 572494337 /nfs/dbraw/zinc/49/43/37/572494337.db2.gz IVQPKNGNZKAAFA-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])c2cc[nH]c2)C1 250605156 572494347 /nfs/dbraw/zinc/49/43/47/572494347.db2.gz LAXQMKLIHIFJEW-MNOVXSKESA-N 2 1 193.294 1.356 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H](CC[NH3+])C2CC2)C1 250602570 572494370 /nfs/dbraw/zinc/49/43/70/572494370.db2.gz KMQZAOUSOLAMBR-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP CCc1[nH+]c2c(n1C)[C@@H](C[NH3+])CCC2 74247471 572494451 /nfs/dbraw/zinc/49/44/51/572494451.db2.gz WSLXUIVYRXTHIL-MRVPVSSYSA-N 2 1 193.294 1.361 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@H]2CC[NH2+]C2)CC1 250612945 572495023 /nfs/dbraw/zinc/49/50/23/572495023.db2.gz NEIAGKYULAISRT-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CCC[C@]2(CC1)C[C@H]2CC[NH3+] 250617329 572496365 /nfs/dbraw/zinc/49/63/65/572496365.db2.gz OGZSVTKJBWNSFN-MNOVXSKESA-N 2 1 182.311 1.457 10 0 ADAEMP C[N@@H+]1CCC[C@H](C2CCCC2)[C@@H]([NH3+])C1 250625240 572494870 /nfs/dbraw/zinc/49/48/70/572494870.db2.gz QAHWZEJWAMOZDY-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H](C2CCCC2)[C@@H]([NH3+])C1 250625240 572494876 /nfs/dbraw/zinc/49/48/76/572494876.db2.gz QAHWZEJWAMOZDY-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H]1C1CCCCC1 250625238 572494924 /nfs/dbraw/zinc/49/49/24/572494924.db2.gz QAHHBJRKRFENLS-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@@H](c2ccco2)C1 250613313 572494962 /nfs/dbraw/zinc/49/49/62/572494962.db2.gz NHKJUJUSGCPESZ-VHSXEESVSA-N 2 1 194.278 1.416 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1CC1CCC1 250616012 572497407 /nfs/dbraw/zinc/49/74/07/572497407.db2.gz NXHHIEUFWAYGCS-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]CCCc1c[nH]c(C2CCCC2)[nH+]1 74247454 572495180 /nfs/dbraw/zinc/49/51/80/572495180.db2.gz JHOMWBOCIFMHIP-UHFFFAOYSA-N 2 1 193.294 1.959 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCCC2)[C@H]1CC[NH3+] 250614641 572495191 /nfs/dbraw/zinc/49/51/91/572495191.db2.gz NPSIRYKXKHUUFQ-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1CC1CCCC1 250623947 572495135 /nfs/dbraw/zinc/49/51/35/572495135.db2.gz PUCVIHONZJWWPE-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@H](C2CCCC2)C1 250619397 572495372 /nfs/dbraw/zinc/49/53/72/572495372.db2.gz OWDYNZAGDPEVQS-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])C[C@H](C2CCCC2)C1 250619397 572495374 /nfs/dbraw/zinc/49/53/74/572495374.db2.gz OWDYNZAGDPEVQS-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCC2)C[C@@H]([NH3+])C1 250619394 572495393 /nfs/dbraw/zinc/49/53/93/572495393.db2.gz OWDYNZAGDPEVQS-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCCC2)C[C@@H]([NH3+])C1 250619394 572495395 /nfs/dbraw/zinc/49/53/95/572495395.db2.gz OWDYNZAGDPEVQS-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP Cn1cccc1[C@H]1C[C@H]([NH3+])CC[N@@H+]1C 74247440 572495489 /nfs/dbraw/zinc/49/54/89/572495489.db2.gz OHSWRGLEAGOIBF-MWLCHTKSSA-N 2 1 193.294 1.119 10 0 ADAEMP Cn1cccc1[C@H]1C[C@H]([NH3+])CC[N@H+]1C 74247440 572495491 /nfs/dbraw/zinc/49/54/91/572495491.db2.gz OHSWRGLEAGOIBF-MWLCHTKSSA-N 2 1 193.294 1.119 10 0 ADAEMP CCc1[nH+]c2c(n1C)[C@H](C[NH3+])CCC2 74247470 572495557 /nfs/dbraw/zinc/49/55/57/572495557.db2.gz WSLXUIVYRXTHIL-QMMMGPOBSA-N 2 1 193.294 1.361 10 0 ADAEMP C=C/C=C/CC[N@H+]1CCC[C@H]1C[NH3+] 713716862 572495635 /nfs/dbraw/zinc/49/56/35/572495635.db2.gz MCZYRSFANURNKJ-UFFNRZRYSA-N 2 1 180.295 1.542 10 0 ADAEMP C=C/C=C/CC[N@@H+]1CCC[C@H]1C[NH3+] 713716862 572495638 /nfs/dbraw/zinc/49/56/38/572495638.db2.gz MCZYRSFANURNKJ-UFFNRZRYSA-N 2 1 180.295 1.542 10 0 ADAEMP Cn1cccc1[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74247441 572495763 /nfs/dbraw/zinc/49/57/63/572495763.db2.gz OHSWRGLEAGOIBF-ONGXEEELSA-N 2 1 193.294 1.119 10 0 ADAEMP Cn1cccc1[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C 74247441 572495769 /nfs/dbraw/zinc/49/57/69/572495769.db2.gz OHSWRGLEAGOIBF-ONGXEEELSA-N 2 1 193.294 1.119 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH3+])[C@@H](C2CCCC2)C1 250627877 572495842 /nfs/dbraw/zinc/49/58/42/572495842.db2.gz QOBOECBQIYRCLU-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2ccncc2)C1 250627270 572495888 /nfs/dbraw/zinc/49/58/88/572495888.db2.gz QLIIEAAEZPWQMQ-QWRGUYRKSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1CC1CCCC1 250623950 572496122 /nfs/dbraw/zinc/49/61/22/572496122.db2.gz PUCVIHONZJWWPE-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CCCC[C@H]2[NH3+])C1 250622610 572496309 /nfs/dbraw/zinc/49/63/09/572496309.db2.gz PNCYKSNEYSARIK-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CCCC[C@@H]([C@@H]([NH3+])C2CCC2)C1 250622643 572496241 /nfs/dbraw/zinc/49/62/41/572496241.db2.gz PNLPELLMNRUQRE-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](C2CCCCC2)C1 250620485 572496319 /nfs/dbraw/zinc/49/63/19/572496319.db2.gz PDQMIYLMUVCVPE-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCCCC[C@@H]1[C@H](C[NH3+])C1CC1 250623829 572496374 /nfs/dbraw/zinc/49/63/74/572496374.db2.gz PSHWTQODIMLSJS-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])Cc2ccco2)C1 250617615 572496432 /nfs/dbraw/zinc/49/64/32/572496432.db2.gz OJYWJPOTSBGDHA-ONGXEEELSA-N 2 1 194.278 1.101 10 0 ADAEMP C[N@H+]1C[C@H](CC[NH3+])[C@H]2CCCC[C@H]21 250620402 572496526 /nfs/dbraw/zinc/49/65/26/572496526.db2.gz PCCLWFMFMCLVSN-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@]1([NH3+])C[C@@H]1C1CC1 250612970 572496553 /nfs/dbraw/zinc/49/65/53/572496553.db2.gz NEOIPFXQUWCFQB-IJLUTSLNSA-N 2 1 194.322 1.598 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H]1C1CCCCC1 250625239 572496624 /nfs/dbraw/zinc/49/66/24/572496624.db2.gz QAHHBJRKRFENLS-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@H]2CCCCC[C@H]21 250620390 572496644 /nfs/dbraw/zinc/49/66/44/572496644.db2.gz PBYTVHXSXDJCIY-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C[NH3+])C2 74247475 572496738 /nfs/dbraw/zinc/49/67/38/572496738.db2.gz ZKGMOSGZIZSBCB-QMMMGPOBSA-N 2 1 193.294 1.597 10 0 ADAEMP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C[NH3+])CC2 74247475 572496745 /nfs/dbraw/zinc/49/67/45/572496745.db2.gz ZKGMOSGZIZSBCB-QMMMGPOBSA-N 2 1 193.294 1.597 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@H]1C(C)C 84127176 572496751 /nfs/dbraw/zinc/49/67/51/572496751.db2.gz KAFNFBKUPBUUHR-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH3+])[C@@H](c2ccco2)C1 250613312 572496853 /nfs/dbraw/zinc/49/68/53/572496853.db2.gz NHKJUJUSGCPESZ-UWVGGRQHSA-N 2 1 194.278 1.416 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccnc1 250622066 572496969 /nfs/dbraw/zinc/49/69/69/572496969.db2.gz PKUNKPJCLWZBCV-MNOVXSKESA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1cccnc1 250622066 572496973 /nfs/dbraw/zinc/49/69/73/572496973.db2.gz PKUNKPJCLWZBCV-MNOVXSKESA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])Cc2ccco2)C1 250617612 572497019 /nfs/dbraw/zinc/49/70/19/572497019.db2.gz OJYWJPOTSBGDHA-KOLCDFICSA-N 2 1 194.278 1.101 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@H]1C1CCCCC1 250618097 572497139 /nfs/dbraw/zinc/49/71/39/572497139.db2.gz ONNRAOWYDKXMAT-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])C[C@H]1C1CCCCC1 250618097 572497142 /nfs/dbraw/zinc/49/71/42/572497142.db2.gz ONNRAOWYDKXMAT-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CC1)C[C@H]2CC[NH3+] 250617325 572497172 /nfs/dbraw/zinc/49/71/72/572497172.db2.gz OGZSVTKJBWNSFN-GHMZBOCLSA-N 2 1 182.311 1.457 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@H]2CCCC[NH2+]2)C1 250624627 572497878 /nfs/dbraw/zinc/49/78/78/572497878.db2.gz PXLRSQVEFVCVAP-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1CC1CCC1 250616011 572497325 /nfs/dbraw/zinc/49/73/25/572497325.db2.gz NXHHIEUFWAYGCS-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCCC[C@H]([C@@H]([NH3+])C2CCC2)C1 250622646 572497425 /nfs/dbraw/zinc/49/74/25/572497425.db2.gz PNLPELLMNRUQRE-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP Cn1cccc1[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C 74247442 572497459 /nfs/dbraw/zinc/49/74/59/572497459.db2.gz OHSWRGLEAGOIBF-GXSJLCMTSA-N 2 1 193.294 1.119 10 0 ADAEMP Cn1cccc1[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 74247442 572497463 /nfs/dbraw/zinc/49/74/63/572497463.db2.gz OHSWRGLEAGOIBF-GXSJLCMTSA-N 2 1 193.294 1.119 10 0 ADAEMP C=C/C=C\CC[N@H+]1CCC[C@H]1C[NH3+] 713716859 572497510 /nfs/dbraw/zinc/49/75/10/572497510.db2.gz MCZYRSFANURNKJ-BYCRGOAPSA-N 2 1 180.295 1.542 10 0 ADAEMP C=C/C=C\CC[N@@H+]1CCC[C@H]1C[NH3+] 713716859 572497513 /nfs/dbraw/zinc/49/75/13/572497513.db2.gz MCZYRSFANURNKJ-BYCRGOAPSA-N 2 1 180.295 1.542 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H]2CCCCC[C@H]21 250620389 572497535 /nfs/dbraw/zinc/49/75/35/572497535.db2.gz PBYTVHXSXDJCIY-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+]1CCC[C@@H](C2CCCC2)[C@@H]([NH3+])C1 250625241 572497588 /nfs/dbraw/zinc/49/75/88/572497588.db2.gz QAHWZEJWAMOZDY-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H](C2CCCC2)[C@@H]([NH3+])C1 250625241 572497593 /nfs/dbraw/zinc/49/75/93/572497593.db2.gz QAHWZEJWAMOZDY-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@@H](C2CCCC2)C1 250627880 572497682 /nfs/dbraw/zinc/49/76/82/572497682.db2.gz QOBOECBQIYRCLU-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP Cn1cccc1[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C 74247439 572497725 /nfs/dbraw/zinc/49/77/25/572497725.db2.gz OHSWRGLEAGOIBF-KOLCDFICSA-N 2 1 193.294 1.119 10 0 ADAEMP Cn1cccc1[C@@H]1C[C@H]([NH3+])CC[N@H+]1C 74247439 572497733 /nfs/dbraw/zinc/49/77/33/572497733.db2.gz OHSWRGLEAGOIBF-KOLCDFICSA-N 2 1 193.294 1.119 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H](CC[NH3+])C2CC2)C1 250617871 572497830 /nfs/dbraw/zinc/49/78/30/572497830.db2.gz OKWSRPXPQUPVIP-WDEREUQCSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](CC[NH3+])C2CC2)C1 250617868 572498164 /nfs/dbraw/zinc/49/81/64/572498164.db2.gz OKWSRPXPQUPVIP-GHMZBOCLSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC2CCCC2)C1 250616711 572498260 /nfs/dbraw/zinc/49/82/60/572498260.db2.gz OCZFMOPORYIQHK-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H]2CCCCC[C@@H]21 250620388 572498470 /nfs/dbraw/zinc/49/84/70/572498470.db2.gz PBYTVHXSXDJCIY-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@]1([NH3+])C[C@H]1C1CC1 250612973 572499358 /nfs/dbraw/zinc/49/93/58/572499358.db2.gz NEOIPFXQUWCFQB-QJPTWQEYSA-N 2 1 194.322 1.598 10 0 ADAEMP C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C12CCCCC2 250616217 572498883 /nfs/dbraw/zinc/49/88/83/572498883.db2.gz OANFGWCRPNXMKY-GHMZBOCLSA-N 2 1 194.322 1.470 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H](C2CCC2)CC1 250614255 572498893 /nfs/dbraw/zinc/49/88/93/572498893.db2.gz NNUDNCFWLLDYGB-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@H]2CC[NH2+]C2)CC1 250612941 572498936 /nfs/dbraw/zinc/49/89/36/572498936.db2.gz NEIAGKYULAISRT-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCCC2)[C@H]1CC[NH3+] 250614642 572499027 /nfs/dbraw/zinc/49/90/27/572499027.db2.gz NPSIRYKXKHUUFQ-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H](C)C[NH3+] 84128278 572499125 /nfs/dbraw/zinc/49/91/25/572499125.db2.gz XMUKDJQLWGXXDQ-SECBINFHSA-N 2 1 181.283 1.430 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccncc2)C1 250627267 572499188 /nfs/dbraw/zinc/49/91/88/572499188.db2.gz QLIIEAAEZPWQMQ-MNOVXSKESA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](CC2CCCC2)C1 250616714 572499315 /nfs/dbraw/zinc/49/93/15/572499315.db2.gz OCZFMOPORYIQHK-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCCCC[C@H]1[C@H](C[NH3+])C1CC1 250623826 572499435 /nfs/dbraw/zinc/49/94/35/572499435.db2.gz PSHWTQODIMLSJS-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C12CCCCC2 250616219 572499584 /nfs/dbraw/zinc/49/95/84/572499584.db2.gz OANFGWCRPNXMKY-WDEREUQCSA-N 2 1 194.322 1.470 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@H]2CCCC[NH2+]2)C1 250624624 572499727 /nfs/dbraw/zinc/49/97/27/572499727.db2.gz PXLRSQVEFVCVAP-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C2CCC2)CC1 250614250 572499750 /nfs/dbraw/zinc/49/97/50/572499750.db2.gz NNUDNCFWLLDYGB-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CCC[C@]2(CCCC[C@H]2[NH3+])C1 250622607 572499995 /nfs/dbraw/zinc/49/99/95/572499995.db2.gz PNCYKSNEYSARIK-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@]1([NH3+])C[C@H]1C1CC1 250612975 572500027 /nfs/dbraw/zinc/50/00/27/572500027.db2.gz NEOIPFXQUWCFQB-TUAOUCFPSA-N 2 1 194.322 1.598 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@H]1CCC[NH2+]C1 250627898 572500106 /nfs/dbraw/zinc/50/01/06/572500106.db2.gz QOKUFAMZDQQDBY-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 250622672 572500115 /nfs/dbraw/zinc/50/01/15/572500115.db2.gz PNOBVRKWKVIIAE-NKWVEPMBSA-N 2 1 196.216 1.218 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 250622672 572500117 /nfs/dbraw/zinc/50/01/17/572500117.db2.gz PNOBVRKWKVIIAE-NKWVEPMBSA-N 2 1 196.216 1.218 10 0 ADAEMP C[N@H+]1C[C@H](CC[NH3+])[C@@H]2CCCC[C@@H]21 250620400 572500166 /nfs/dbraw/zinc/50/01/66/572500166.db2.gz PCCLWFMFMCLVSN-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](C2CCCCC2)C1 250620487 572500258 /nfs/dbraw/zinc/50/02/58/572500258.db2.gz PDQMIYLMUVCVPE-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C1CCCCC1 250618098 572500344 /nfs/dbraw/zinc/50/03/44/572500344.db2.gz ONNRAOWYDKXMAT-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@H]1C1CCCCC1 250618098 572500349 /nfs/dbraw/zinc/50/03/49/572500349.db2.gz ONNRAOWYDKXMAT-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)C[N@H+]1CCCN[C@@H](C(C)C)C1 62568393 572500367 /nfs/dbraw/zinc/50/03/67/572500367.db2.gz OEDYQGLNQQWYRN-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)CN1CCC[NH2+][C@@H](C(C)C)C1 62568393 572500371 /nfs/dbraw/zinc/50/03/71/572500371.db2.gz OEDYQGLNQQWYRN-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]([NH3+])C2CCC2)CC1 250636218 572500795 /nfs/dbraw/zinc/50/07/95/572500795.db2.gz SDAQGBYWVMIWKS-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1C1CCCCC1 250636072 572500807 /nfs/dbraw/zinc/50/08/07/572500807.db2.gz SAYSCHPGWGNMRH-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1C1CCCCC1 250635599 572500915 /nfs/dbraw/zinc/50/09/15/572500915.db2.gz SAYSCHPGWGNMRH-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCCC[C@]12CC[C@@H](C[NH3+])C2 250638749 572501405 /nfs/dbraw/zinc/50/14/05/572501405.db2.gz SOYAYBOCRPNZHN-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1CCC(N)=[NH2+] 84126282 572503013 /nfs/dbraw/zinc/50/30/13/572503013.db2.gz OXBSQLYAZWBFJS-SECBINFHSA-N 2 1 183.299 1.433 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2cccnc2)C1 250639194 572501495 /nfs/dbraw/zinc/50/14/95/572501495.db2.gz SRFAPWFJDACQSO-MNOVXSKESA-N 2 1 191.278 1.033 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H]1C(C)C 84127178 572501546 /nfs/dbraw/zinc/50/15/46/572501546.db2.gz KAFNFBKUPBUUHR-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)CC[NH3+] 84125291 572501912 /nfs/dbraw/zinc/50/19/12/572501912.db2.gz MNGGPXYYSSIXFX-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccsc1 250639795 572503398 /nfs/dbraw/zinc/50/33/98/572503398.db2.gz SUSXQSGZIQLUCN-ZJUUUORDSA-N 2 1 196.319 1.842 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC[C@H]2CC[NH2+]C2)C1 250639225 572503036 /nfs/dbraw/zinc/50/30/36/572503036.db2.gz SRRYDCWMIVAYFA-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP C/C=C/C=C/C[N@H+]1CC[C@H](C[NH3+])C1 308042797 572502365 /nfs/dbraw/zinc/50/23/65/572502365.db2.gz DDCBIBWGBQWOSW-WANFKSSISA-N 2 1 180.295 1.399 10 0 ADAEMP C[N@H+]1C[C@@H](CC[NH3+])C[C@H]1C1CCCC1 250638145 572502423 /nfs/dbraw/zinc/50/24/23/572502423.db2.gz SMDYSAFNQPGANG-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2cccnc2)C1 250639198 572502448 /nfs/dbraw/zinc/50/24/48/572502448.db2.gz SRFAPWFJDACQSO-QWRGUYRKSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1c1ccccn1 250641000 572502518 /nfs/dbraw/zinc/50/25/18/572502518.db2.gz TUSKQQDQJOMVLN-ONGXEEELSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CCC[C@H](CC[C@H]2CC[NH2+]C2)C1 250639222 572502558 /nfs/dbraw/zinc/50/25/58/572502558.db2.gz SRRYDCWMIVAYFA-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CCCC[NH3+] 84125231 572502586 /nfs/dbraw/zinc/50/25/86/572502586.db2.gz AQXAWAVITQUXDR-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+]CC[N@H+]1CCC[C@@H]1C(C)C 84125576 572502696 /nfs/dbraw/zinc/50/26/96/572502696.db2.gz UBGJEFIEWQLTSS-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H]1C(C)C 84126270 572502731 /nfs/dbraw/zinc/50/27/31/572502731.db2.gz VNLOQMANGTUOTQ-VHSXEESVSA-N 2 1 197.326 1.821 10 0 ADAEMP C[N@H+]1CCCC[C@@]12CC[C@@H](C[NH3+])C2 250638751 572502734 /nfs/dbraw/zinc/50/27/34/572502734.db2.gz SOYAYBOCRPNZHN-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CC[C@@H]2CCC[NH2+][C@H]2CC1 250642134 572502722 /nfs/dbraw/zinc/50/27/22/572502722.db2.gz UBMNFSBFQXFEIF-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2CC1 250642138 572502794 /nfs/dbraw/zinc/50/27/94/572502794.db2.gz UBMNFSBFQXFEIF-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)C[N@H+]1CCCN[C@H](C(C)C)C1 62568392 572503138 /nfs/dbraw/zinc/50/31/38/572503138.db2.gz OEDYQGLNQQWYRN-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)CN1CCC[NH2+][C@H](C(C)C)C1 62568392 572503140 /nfs/dbraw/zinc/50/31/40/572503140.db2.gz OEDYQGLNQQWYRN-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@H](C[NH3+])C1CCCC1 250641615 572503256 /nfs/dbraw/zinc/50/32/56/572503256.db2.gz TXYQGTUHXHONLJ-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H](C[NH3+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C 62566896 572503306 /nfs/dbraw/zinc/50/33/06/572503306.db2.gz JYBZDJQCNLDHDS-UBJLHIIHSA-N 2 1 182.311 1.454 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccsc1 250639795 572503402 /nfs/dbraw/zinc/50/34/02/572503402.db2.gz SUSXQSGZIQLUCN-ZJUUUORDSA-N 2 1 196.319 1.842 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H](C)C(N)=[NH2+] 84126233 572503435 /nfs/dbraw/zinc/50/34/35/572503435.db2.gz AQFIZNIEKNZNIV-ZJUUUORDSA-N 2 1 197.326 1.679 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1CCCC(N)=[NH2+] 84126240 572503445 /nfs/dbraw/zinc/50/34/45/572503445.db2.gz SEODHOXBVQNULO-SNVBAGLBSA-N 2 1 197.326 1.823 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H]2CCCC[C@@H]2C1 250638614 572503548 /nfs/dbraw/zinc/50/35/48/572503548.db2.gz SNBKRQWXHYOGHG-OUAUKWLOSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H](C[NH3+])C1CCCC1 250641613 572503499 /nfs/dbraw/zinc/50/34/99/572503499.db2.gz TXYQGTUHXHONLJ-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1([N@H+]2CC[C@H](C[NH3+])C2)CCCCC1 45046081 572503525 /nfs/dbraw/zinc/50/35/25/572503525.db2.gz WDWPCZPDZVLECT-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1c1ccccn1 250640997 572503631 /nfs/dbraw/zinc/50/36/31/572503631.db2.gz TUSKQQDQJOMVLN-KOLCDFICSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]([NH3+])C2CCC2)CC1 250636220 572503824 /nfs/dbraw/zinc/50/38/24/572503824.db2.gz SDAQGBYWVMIWKS-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@H]2CCCC[C@@H]2C1 250638617 572503881 /nfs/dbraw/zinc/50/38/81/572503881.db2.gz SNBKRQWXHYOGHG-VWYCJHECSA-N 2 1 182.311 1.313 10 0 ADAEMP C/C=C(\CC)C[N@H+]1CC[C@@H](C[NH3+])C1 308042226 572503898 /nfs/dbraw/zinc/50/38/98/572503898.db2.gz CHHSVGMMNRQANE-LFJXOHPOSA-N 2 1 182.311 1.623 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](C2CCCC2)CC1 250640091 572503919 /nfs/dbraw/zinc/50/39/19/572503919.db2.gz SXAWIZZSNSZKPT-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](c2ccco2)C1 250636892 572504030 /nfs/dbraw/zinc/50/40/30/572504030.db2.gz SGQRYXRQYATTCJ-IUCAKERBSA-N 2 1 180.251 1.026 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@H]2CCCC[C@H]2C1 250638198 572504141 /nfs/dbraw/zinc/50/41/41/572504141.db2.gz SNBKRQWXHYOGHG-DCAQKATOSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)[C@H]1CCC[N@@H+]1CC[C@@H](C)[NH3+] 84125927 572504178 /nfs/dbraw/zinc/50/41/78/572504178.db2.gz NDIZOTMYNQEDNQ-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+]CC[N@H+]1CCC[C@H]1C(C)C 84125577 572504195 /nfs/dbraw/zinc/50/41/95/572504195.db2.gz UBGJEFIEWQLTSS-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C/C=C/C=C/C[N@H+]1CC[C@@H](C[NH3+])C1 308042795 572504224 /nfs/dbraw/zinc/50/42/24/572504224.db2.gz DDCBIBWGBQWOSW-JWVODRKRSA-N 2 1 180.295 1.399 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H](C)C[NH3+] 84128280 572504295 /nfs/dbraw/zinc/50/42/95/572504295.db2.gz XMUKDJQLWGXXDQ-VIFPVBQESA-N 2 1 181.283 1.430 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])[C@@H](c2ccco2)C1 250636890 572504335 /nfs/dbraw/zinc/50/43/35/572504335.db2.gz SGQRYXRQYATTCJ-DTWKUNHWSA-N 2 1 180.251 1.026 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](c2ccco2)C1 250636890 572504341 /nfs/dbraw/zinc/50/43/41/572504341.db2.gz SGQRYXRQYATTCJ-DTWKUNHWSA-N 2 1 180.251 1.026 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H]2CCCC[C@H]2C1 250638200 572504371 /nfs/dbraw/zinc/50/43/71/572504371.db2.gz SNBKRQWXHYOGHG-GARJFASQSA-N 2 1 182.311 1.313 10 0 ADAEMP CCc1cc(O[C@H](C)C[NH2+]C)cc[nH+]1 307778763 572504475 /nfs/dbraw/zinc/50/44/75/572504475.db2.gz IACPNNWHQFBMDS-SECBINFHSA-N 2 1 194.278 1.631 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](C2CCCC2)CC1 250640094 572504496 /nfs/dbraw/zinc/50/44/96/572504496.db2.gz SXAWIZZSNSZKPT-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1([N@H+]2CC[C@@H](C[NH3+])C2)CCCCC1 45046083 572504758 /nfs/dbraw/zinc/50/47/58/572504758.db2.gz WDWPCZPDZVLECT-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C/C=C(\CC)C[N@H+]1CC[C@H](C[NH3+])C1 308042224 572504764 /nfs/dbraw/zinc/50/47/64/572504764.db2.gz CHHSVGMMNRQANE-JNZVDCKRSA-N 2 1 182.311 1.623 10 0 ADAEMP C[N@H+]1C[C@H](CC[NH3+])C[C@H]1C1CCCC1 250638147 572504783 /nfs/dbraw/zinc/50/47/83/572504783.db2.gz SMDYSAFNQPGANG-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1[C@@H](C)CC[NH3+] 84125293 572504790 /nfs/dbraw/zinc/50/47/90/572504790.db2.gz MNGGPXYYSSIXFX-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@H]1CCC[N@@H+]1C[C@@H](C)C[NH3+] 84125254 572504854 /nfs/dbraw/zinc/50/48/54/572504854.db2.gz CVJYILXMQBFQGP-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@H](C)C1 87472186 572504909 /nfs/dbraw/zinc/50/49/09/572504909.db2.gz KFJICQXHTFQIJQ-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CCC(N)=[NH2+] 84126279 572504945 /nfs/dbraw/zinc/50/49/45/572504945.db2.gz OXBSQLYAZWBFJS-VIFPVBQESA-N 2 1 183.299 1.433 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1CCCC[NH3+] 84125235 572504952 /nfs/dbraw/zinc/50/49/52/572504952.db2.gz AQXAWAVITQUXDR-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCC[C@H]1C 87472421 572505042 /nfs/dbraw/zinc/50/50/42/572505042.db2.gz NZJURBFMITWRSW-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C 87472422 572505065 /nfs/dbraw/zinc/50/50/65/572505065.db2.gz NZJURBFMITWRSW-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@@H]1C(C)C 84126272 572505219 /nfs/dbraw/zinc/50/52/19/572505219.db2.gz VNLOQMANGTUOTQ-NXEZZACHSA-N 2 1 197.326 1.821 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)CC(N)=[NH2+] 84126222 572505301 /nfs/dbraw/zinc/50/53/01/572505301.db2.gz RFPDFXZSLLEFRU-UWVGGRQHSA-N 2 1 197.326 1.821 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1[C@@H](C)CC(N)=[NH2+] 84126224 572505308 /nfs/dbraw/zinc/50/53/08/572505308.db2.gz RFPDFXZSLLEFRU-VHSXEESVSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@@H](C(C)C)[N@@H+](C)CCC[NH2+]C 87472302 572506330 /nfs/dbraw/zinc/50/63/30/572506330.db2.gz RFFXVMMBHBYESZ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CCCC(N)=[NH2+] 84126237 572505561 /nfs/dbraw/zinc/50/55/61/572505561.db2.gz SEODHOXBVQNULO-JTQLQIEISA-N 2 1 197.326 1.823 10 0 ADAEMP C[NH2+]CCC[N@H+](C)CC=C(C)C 87472798 572505623 /nfs/dbraw/zinc/50/56/23/572505623.db2.gz DLTGBZUBFSFHAQ-UHFFFAOYSA-N 2 1 170.300 1.494 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)CC=C(C)C 87472798 572505629 /nfs/dbraw/zinc/50/56/29/572505629.db2.gz DLTGBZUBFSFHAQ-UHFFFAOYSA-N 2 1 170.300 1.494 10 0 ADAEMP C[N@@H+]1CCCC[C@@]12CCC[C@H]2[NH3+] 250633138 572505631 /nfs/dbraw/zinc/50/56/31/572505631.db2.gz RODIJHGZEYOETK-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1CCCC[C@@]12CCC[C@H]2[NH3+] 250633138 572505636 /nfs/dbraw/zinc/50/56/36/572505636.db2.gz RODIJHGZEYOETK-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H]1C1CCCC1 250642711 572505651 /nfs/dbraw/zinc/50/56/51/572505651.db2.gz UIFCOIHUDPUPFK-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H](C)[C@H](C)[N@@H+](C)CCC[NH2+]C 87472393 572505684 /nfs/dbraw/zinc/50/56/84/572505684.db2.gz XDBXRPAFXXSOFS-MNOVXSKESA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CCC[C@H]1C 87472419 572505704 /nfs/dbraw/zinc/50/57/04/572505704.db2.gz NZJURBFMITWRSW-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+]1CCCC[C@]12CCC[C@H]2[NH3+] 250633137 572505738 /nfs/dbraw/zinc/50/57/38/572505738.db2.gz RODIJHGZEYOETK-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1CCCC[C@]12CCC[C@H]2[NH3+] 250633137 572505742 /nfs/dbraw/zinc/50/57/42/572505742.db2.gz RODIJHGZEYOETK-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCc1cc(OCCCC[NH3+])cc[nH+]1 307781417 572505758 /nfs/dbraw/zinc/50/57/58/572505758.db2.gz JULGHMRBGQXKMS-UHFFFAOYSA-N 2 1 194.278 1.762 10 0 ADAEMP C[NH2+]CCCN(C)c1[nH+]cccc1C 87471908 572505770 /nfs/dbraw/zinc/50/57/70/572505770.db2.gz HGXHVWPVZQICDO-UHFFFAOYSA-N 2 1 193.294 1.436 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@@H]([NH3+])C[C@H]2C1 250632016 572505853 /nfs/dbraw/zinc/50/58/53/572505853.db2.gz RJTCEFBHMOIAJA-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])CC1CCCCC1 87473533 572505910 /nfs/dbraw/zinc/50/59/10/572505910.db2.gz DLMKBCYGVNDQGD-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 250632018 572506019 /nfs/dbraw/zinc/50/60/19/572506019.db2.gz RJTCEFBHMOIAJA-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])[C@H]1CC1CCCCC1 250642520 572506126 /nfs/dbraw/zinc/50/61/26/572506126.db2.gz UFCYQSHVMZFRIJ-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H]1CC1CCCCC1 250642520 572506131 /nfs/dbraw/zinc/50/61/31/572506131.db2.gz UFCYQSHVMZFRIJ-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCC(=[NH2+])N1CCC[N@@H+](CC)CC1 307781505 572506153 /nfs/dbraw/zinc/50/61/53/572506153.db2.gz VWQQQWVEOJRPTR-UHFFFAOYSA-N 2 1 197.326 1.791 10 0 ADAEMP CCC[N@@H+](CC(N)=[NH2+])CC(C)C 308043645 572506271 /nfs/dbraw/zinc/50/62/71/572506271.db2.gz OLVUTDBNYCNCSS-UHFFFAOYSA-N 2 1 171.288 1.290 10 0 ADAEMP CCC[N@H+](CC(N)=[NH2+])CC(C)C 308043645 572506276 /nfs/dbraw/zinc/50/62/76/572506276.db2.gz OLVUTDBNYCNCSS-UHFFFAOYSA-N 2 1 171.288 1.290 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])C2CCCCC2)C1 250634344 572506389 /nfs/dbraw/zinc/50/63/89/572506389.db2.gz RTTZBPZYGBQOHO-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)[C@@H](C)[N@@H+](C)CCC[NH2+]C 87472391 572506390 /nfs/dbraw/zinc/50/63/90/572506390.db2.gz XDBXRPAFXXSOFS-GHMZBOCLSA-N 2 1 186.343 1.962 10 0 ADAEMP C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 45074027 572506492 /nfs/dbraw/zinc/50/64/92/572506492.db2.gz CMFFAZUYDLPNGZ-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCC(=O)C1 87472090 572506642 /nfs/dbraw/zinc/50/66/42/572506642.db2.gz CGOWOYZURJDPEK-SNVBAGLBSA-N 2 1 198.310 1.039 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](CC)C1 307781242 572507116 /nfs/dbraw/zinc/50/71/16/572507116.db2.gz ZHOOOXHLRCOPRB-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)CCC1CC1 87472722 572506867 /nfs/dbraw/zinc/50/68/67/572506867.db2.gz QBOJNKKFFCLEIK-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])Cc2ccoc2)C1 250642578 572506908 /nfs/dbraw/zinc/50/69/08/572506908.db2.gz UGLHZSBHHLICEQ-MNOVXSKESA-N 2 1 194.278 1.101 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CCCC(=O)C1 87472091 572506922 /nfs/dbraw/zinc/50/69/22/572506922.db2.gz CGOWOYZURJDPEK-JTQLQIEISA-N 2 1 198.310 1.039 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C2CCCCC2)C1 250634345 572507058 /nfs/dbraw/zinc/50/70/58/572507058.db2.gz RTTZBPZYGBQOHO-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 87472185 572507077 /nfs/dbraw/zinc/50/70/77/572507077.db2.gz KFJICQXHTFQIJQ-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCC2)[C@@H](C[NH3+])C1 250632524 572508952 /nfs/dbraw/zinc/50/89/52/572508952.db2.gz RKWUEFVAYOTUQV-WDEREUQCSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCC2)[C@@H](C[NH3+])C1 250632521 572507297 /nfs/dbraw/zinc/50/72/97/572507297.db2.gz RKWUEFVAYOTUQV-QWRGUYRKSA-N 2 1 182.311 1.313 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[NH2+][C@H](CC)C1 307781243 572507341 /nfs/dbraw/zinc/50/73/41/572507341.db2.gz ZHOOOXHLRCOPRB-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])Cc2ccoc2)C1 250642580 572507365 /nfs/dbraw/zinc/50/73/65/572507365.db2.gz UGLHZSBHHLICEQ-QWRGUYRKSA-N 2 1 194.278 1.101 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CCC[C@@H]1C 87472420 572507384 /nfs/dbraw/zinc/50/73/84/572507384.db2.gz NZJURBFMITWRSW-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]CCC[C@H]2C1 250631994 572507401 /nfs/dbraw/zinc/50/74/01/572507401.db2.gz RJNOLEBZMCKMKE-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])C[C@H]1C1CCCC1 250633148 572507418 /nfs/dbraw/zinc/50/74/18/572507418.db2.gz ROKHCPNEVYQLHO-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])C[C@H]1C1CCCC1 250633149 572507500 /nfs/dbraw/zinc/50/75/00/572507500.db2.gz ROKHCPNEVYQLHO-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C/C=C/C[N@@H+](C)CCC[NH2+]C 87472799 572507517 /nfs/dbraw/zinc/50/75/17/572507517.db2.gz BFEKIEDNCJLKQM-SNAWJCMRSA-N 2 1 156.273 1.104 10 0 ADAEMP C/C=C/C[N@H+](C)CCC[NH2+]C 87472799 572507524 /nfs/dbraw/zinc/50/75/24/572507524.db2.gz BFEKIEDNCJLKQM-SNAWJCMRSA-N 2 1 156.273 1.104 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@H]1C1CCCC1 250642709 572507547 /nfs/dbraw/zinc/50/75/47/572507547.db2.gz UIFCOIHUDPUPFK-NXEZZACHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H](C1CC1)[N@@H+](C)CCC[NH2+]C 87472370 572507635 /nfs/dbraw/zinc/50/76/35/572507635.db2.gz YMGVMNRPYQRPLB-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCCN(C)c1cccc(C)[nH+]1 87471935 572507866 /nfs/dbraw/zinc/50/78/66/572507866.db2.gz QJZUEZOBEPSEBQ-UHFFFAOYSA-N 2 1 193.294 1.436 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CC[C@H](C)C1 87472184 572507875 /nfs/dbraw/zinc/50/78/75/572507875.db2.gz KFJICQXHTFQIJQ-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])CC1CCCCC1 87473534 572507984 /nfs/dbraw/zinc/50/79/84/572507984.db2.gz HWXJBNABQQGXLV-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](CC)C1 307781246 572507986 /nfs/dbraw/zinc/50/79/86/572507986.db2.gz ZHOOOXHLRCOPRB-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CCC[C@H]2[NH2+]CCC[C@H]2C1 250631995 572507989 /nfs/dbraw/zinc/50/79/89/572507989.db2.gz RJNOLEBZMCKMKE-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H](C)[C@H](C)[N@@H+](C)CCC[NH2+]C 87472394 572508100 /nfs/dbraw/zinc/50/81/00/572508100.db2.gz XDBXRPAFXXSOFS-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C1CC1)[N@@H+](C)CCC[NH2+]C 87472371 572508115 /nfs/dbraw/zinc/50/81/15/572508115.db2.gz YMGVMNRPYQRPLB-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])CC1CCCCC1 87473535 572508212 /nfs/dbraw/zinc/50/82/12/572508212.db2.gz HWXJBNABQQGXLV-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP C[C@H](CNc1ccc(N)[nH+]c1)[NH+](C)C 45105870 572508225 /nfs/dbraw/zinc/50/82/25/572508225.db2.gz FEVNQYAYUCPUQW-MRVPVSSYSA-N 2 1 194.282 1.026 10 0 ADAEMP CC[C@H](C(C)C)[N@@H+](C)CCC[NH2+]C 87472303 572508666 /nfs/dbraw/zinc/50/86/66/572508666.db2.gz RFFXVMMBHBYESZ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H]([NH3+])C[C@H]2C1 250632020 572508336 /nfs/dbraw/zinc/50/83/36/572508336.db2.gz RJTCEFBHMOIAJA-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)CCCSC 87472260 572508468 /nfs/dbraw/zinc/50/84/68/572508468.db2.gz ISEGEBHZNCCHRI-UHFFFAOYSA-N 2 1 190.356 1.281 10 0 ADAEMP C[NH2+]CCCN(C)c1ccc(C)c[nH+]1 87471918 572508713 /nfs/dbraw/zinc/50/87/13/572508713.db2.gz KNKIWVXABMJXAJ-UHFFFAOYSA-N 2 1 193.294 1.436 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H](C[NH3+])C2CC2)C1 250634781 572510392 /nfs/dbraw/zinc/51/03/92/572510392.db2.gz RVKJQXUKBICPOX-GHMZBOCLSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccncc1 74271342 572509486 /nfs/dbraw/zinc/50/94/86/572509486.db2.gz HAOALXGZXNQVCU-GHMZBOCLSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccncc1 74271342 572509489 /nfs/dbraw/zinc/50/94/89/572509489.db2.gz HAOALXGZXNQVCU-GHMZBOCLSA-N 2 1 191.278 1.176 10 0 ADAEMP C[C@H](C[N@@H+](C)CC(C)(C)C)C(N)=[NH2+] 45074250 572509655 /nfs/dbraw/zinc/50/96/55/572509655.db2.gz DUMLOEOSRGYLGU-MRVPVSSYSA-N 2 1 185.315 1.536 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@@H]2CCCCC[C@@H]21 250635576 572509659 /nfs/dbraw/zinc/50/96/59/572509659.db2.gz SARROJYERUJNTH-SRVKXCTJSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1c1cccs1 250634400 572509769 /nfs/dbraw/zinc/50/97/69/572509769.db2.gz RUPGKIRGYRYMOZ-BDAKNGLRSA-N 2 1 196.319 1.700 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccnc1 74271345 572509776 /nfs/dbraw/zinc/50/97/76/572509776.db2.gz PKUNKPJCLWZBCV-WDEREUQCSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1cccnc1 74271345 572509780 /nfs/dbraw/zinc/50/97/80/572509780.db2.gz PKUNKPJCLWZBCV-WDEREUQCSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1c1cccs1 250634402 572509834 /nfs/dbraw/zinc/50/98/34/572509834.db2.gz RUPGKIRGYRYMOZ-IUCAKERBSA-N 2 1 196.319 1.700 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]2CCCCC[C@H]21 250635570 572509958 /nfs/dbraw/zinc/50/99/58/572509958.db2.gz SARROJYERUJNTH-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H](C[NH3+])C2CC2)C1 250634783 572509979 /nfs/dbraw/zinc/50/99/79/572509979.db2.gz RVKJQXUKBICPOX-WDEREUQCSA-N 2 1 182.311 1.313 10 0 ADAEMP C/C=C(\CC)C[N@@H+]1CCC[C@@H]1C[NH3+] 308047608 572510031 /nfs/dbraw/zinc/51/00/31/572510031.db2.gz IMPWIDDUEAGOCO-JNZVDCKRSA-N 2 1 182.311 1.766 10 0 ADAEMP C/C=C(\CC)C[N@H+]1CCC[C@@H]1C[NH3+] 308047608 572510035 /nfs/dbraw/zinc/51/00/35/572510035.db2.gz IMPWIDDUEAGOCO-JNZVDCKRSA-N 2 1 182.311 1.766 10 0 ADAEMP C/C=C(\CC)C[N@@H+]1CCC[C@H]1C[NH3+] 308047609 572510379 /nfs/dbraw/zinc/51/03/79/572510379.db2.gz IMPWIDDUEAGOCO-LFJXOHPOSA-N 2 1 182.311 1.766 10 0 ADAEMP C/C=C(\CC)C[N@H+]1CCC[C@H]1C[NH3+] 308047609 572510380 /nfs/dbraw/zinc/51/03/80/572510380.db2.gz IMPWIDDUEAGOCO-LFJXOHPOSA-N 2 1 182.311 1.766 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@@H]2CCCCC[C@H]21 250635573 572510418 /nfs/dbraw/zinc/51/04/18/572510418.db2.gz SARROJYERUJNTH-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1CC[N@@H+]([C@@H]2CC2(C)C)CC[NH2+]1 45136715 572510537 /nfs/dbraw/zinc/51/05/37/572510537.db2.gz YQIKOGUJORSWIY-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@@H]2CC2(C)C)CC[NH2+]1 45136715 572510541 /nfs/dbraw/zinc/51/05/41/572510541.db2.gz YQIKOGUJORSWIY-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccnc1 74271348 572510592 /nfs/dbraw/zinc/51/05/92/572510592.db2.gz PKUNKPJCLWZBCV-GHMZBOCLSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1cccnc1 74271348 572510595 /nfs/dbraw/zinc/51/05/95/572510595.db2.gz PKUNKPJCLWZBCV-GHMZBOCLSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H](CC[NH3+])C2CCC2)C1 250648394 572510743 /nfs/dbraw/zinc/51/07/43/572510743.db2.gz WBODBYVQCBMZOD-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]2[NH2+]CCC[C@H]21 250646333 572512991 /nfs/dbraw/zinc/51/29/91/572512991.db2.gz VLMRDJQLVZHXBW-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2[NH2+]CCC[C@H]21 250646333 572512995 /nfs/dbraw/zinc/51/29/95/572512995.db2.gz VLMRDJQLVZHXBW-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@H]1CCC[NH2+]1 250648769 572510887 /nfs/dbraw/zinc/51/08/87/572510887.db2.gz WCUYLHMSVNBJQM-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)[C@H](C)C1 45135330 572511147 /nfs/dbraw/zinc/51/11/47/572511147.db2.gz ICDSNWLGJXDRHS-GMTAPVOTSA-N 2 1 196.338 1.857 10 0 ADAEMP C[N@@H+]1CCCC[C@H]2[NH2+]CCC[C@H]21 250646332 572513009 /nfs/dbraw/zinc/51/30/09/572513009.db2.gz VLMRDJQLVZHXBW-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCCC[C@H]2[NH2+]CCC[C@H]21 250646332 572513011 /nfs/dbraw/zinc/51/30/11/572513011.db2.gz VLMRDJQLVZHXBW-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@H]1CC1CCCC1 250648288 572511316 /nfs/dbraw/zinc/51/13/16/572511316.db2.gz WARLHZBAYJNXGV-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])C[C@H]1CC1CCCC1 250648288 572511319 /nfs/dbraw/zinc/51/13/19/572511319.db2.gz WARLHZBAYJNXGV-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[C@H](C[NH2+]CC[NH3+])CC(C)C 308045493 572511346 /nfs/dbraw/zinc/51/13/46/572511346.db2.gz AXWPLJDMSNBZEP-NSHDSACASA-N 2 1 186.343 1.997 10 0 ADAEMP C[N@H+]1C[C@@H]2CC[NH2+][C@H]2C2(CCC2)C1 250645274 572511387 /nfs/dbraw/zinc/51/13/87/572511387.db2.gz VBTWVQZKHSIINS-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1CNCC[N@@H+]([C@@H]2CC2(C)C)C1 45136721 572511481 /nfs/dbraw/zinc/51/14/81/572511481.db2.gz ATIIUMOJZAQVEI-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CNCC[N@H+]([C@@H]2CC2(C)C)C1 45136721 572511486 /nfs/dbraw/zinc/51/14/86/572511486.db2.gz ATIIUMOJZAQVEI-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC[C@H](CC[C@H]2CCC[NH2+]2)C1 250645772 572511626 /nfs/dbraw/zinc/51/16/26/572511626.db2.gz VHIQWRCTJHDTCN-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@H](CC[NH3+])[C@H]2CCC[C@H]21 250644937 572511654 /nfs/dbraw/zinc/51/16/54/572511654.db2.gz VAIOKZGJFFVKQX-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@H]1CCC[NH2+]1 250648767 572511771 /nfs/dbraw/zinc/51/17/71/572511771.db2.gz WCUYLHMSVNBJQM-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccncc1 74271341 572511821 /nfs/dbraw/zinc/51/18/21/572511821.db2.gz HAOALXGZXNQVCU-WDEREUQCSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccncc1 74271341 572511825 /nfs/dbraw/zinc/51/18/25/572511825.db2.gz HAOALXGZXNQVCU-WDEREUQCSA-N 2 1 191.278 1.176 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](CC[NH3+])C2CCC2)C1 250648399 572511986 /nfs/dbraw/zinc/51/19/86/572511986.db2.gz WBODBYVQCBMZOD-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1c1ccco1 250648858 572512008 /nfs/dbraw/zinc/51/20/08/572512008.db2.gz WDQCGUPQEVAGDR-BDAKNGLRSA-N 2 1 180.251 1.231 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCC2)[C@@H]([NH3+])C1 250645365 572512168 /nfs/dbraw/zinc/51/21/68/572512168.db2.gz VDLWUGXVBJZJFH-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCCC2)[C@@H]([NH3+])C1 250645365 572512172 /nfs/dbraw/zinc/51/21/72/572512172.db2.gz VDLWUGXVBJZJFH-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[C@@H](C[NH2+]CC[NH3+])CC(C)C 308045492 572512374 /nfs/dbraw/zinc/51/23/74/572512374.db2.gz AXWPLJDMSNBZEP-LLVKDONJSA-N 2 1 186.343 1.997 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@H]1CC1CCCC1 250648289 572512607 /nfs/dbraw/zinc/51/26/07/572512607.db2.gz WARLHZBAYJNXGV-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@H]1CC1CCCC1 250648289 572512609 /nfs/dbraw/zinc/51/26/09/572512609.db2.gz WARLHZBAYJNXGV-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@H](CC[NH3+])[C@@H]2CCC[C@@H]21 250644938 572512956 /nfs/dbraw/zinc/51/29/56/572512956.db2.gz VAIOKZGJFFVKQX-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])[C@H](C2CCCC2)C1 250645364 572513109 /nfs/dbraw/zinc/51/31/09/572513109.db2.gz VDLWUGXVBJZJFH-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])[C@H](C2CCCC2)C1 250645364 572513113 /nfs/dbraw/zinc/51/31/13/572513113.db2.gz VDLWUGXVBJZJFH-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC[C@H]2CCC[NH2+]2)C1 250645770 572513164 /nfs/dbraw/zinc/51/31/64/572513164.db2.gz VHIQWRCTJHDTCN-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@H+]1CCC[C@@H](C[NH2+]CC)C1 53654018 572513375 /nfs/dbraw/zinc/51/33/75/572513375.db2.gz RZMWYVVSOCGDEI-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1c1ccco1 250648861 572513422 /nfs/dbraw/zinc/51/34/22/572513422.db2.gz WDQCGUPQEVAGDR-IUCAKERBSA-N 2 1 180.251 1.231 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])C[C@H]1C1CCC1 250645337 572513649 /nfs/dbraw/zinc/51/36/49/572513649.db2.gz VCVMONFMAFLIBX-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 53654009 572513689 /nfs/dbraw/zinc/51/36/89/572513689.db2.gz OMKRREGJULSDNL-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 53654458 572513814 /nfs/dbraw/zinc/51/38/14/572513814.db2.gz LMOURMAZBOCRKA-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CNCC[N@@H+]([C@@H]2CC2(C)C)C1 45136720 572513842 /nfs/dbraw/zinc/51/38/42/572513842.db2.gz ATIIUMOJZAQVEI-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CNCC[N@H+]([C@@H]2CC2(C)C)C1 45136720 572513845 /nfs/dbraw/zinc/51/38/45/572513845.db2.gz ATIIUMOJZAQVEI-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C/C=C/C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 84213994 572514107 /nfs/dbraw/zinc/51/41/07/572514107.db2.gz XTFORRFFIOREAY-YIZUVKHSSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)(C)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 250675220 572514231 /nfs/dbraw/zinc/51/42/31/572514231.db2.gz ATOAWXHHQSWSRC-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 45137762 572515223 /nfs/dbraw/zinc/51/52/23/572515223.db2.gz KMTSKQBKTGSKHM-RKDXNWHRSA-N 2 1 168.284 1.127 10 0 ADAEMP CCC[N@H+]1CCC[C@H](C[NH2+]CC)C1 53654014 572514444 /nfs/dbraw/zinc/51/44/44/572514444.db2.gz RZMWYVVSOCGDEI-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 250677932 572514482 /nfs/dbraw/zinc/51/44/82/572514482.db2.gz CCWZOGPXNCIVMI-VHSXEESVSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 53654013 572514529 /nfs/dbraw/zinc/51/45/29/572514529.db2.gz OMKRREGJULSDNL-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C(C)(C)C)C1 250677926 572514652 /nfs/dbraw/zinc/51/46/52/572514652.db2.gz CCWZOGPXNCIVMI-UWVGGRQHSA-N 2 1 184.327 1.559 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 45137760 572514662 /nfs/dbraw/zinc/51/46/62/572514662.db2.gz KMTSKQBKTGSKHM-BDAKNGLRSA-N 2 1 168.284 1.127 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]2CCCC[C@H]21 250647048 572514870 /nfs/dbraw/zinc/51/48/70/572514870.db2.gz VQJLSLGPKBYIFG-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 45137726 572515019 /nfs/dbraw/zinc/51/50/19/572515019.db2.gz GIYGSXIWLKRQPY-NXEZZACHSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@H+]1CC(C)C 53648443 572515151 /nfs/dbraw/zinc/51/51/51/572515151.db2.gz CNRFKMIVTQHANE-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 45137724 572515279 /nfs/dbraw/zinc/51/52/79/572515279.db2.gz GIYGSXIWLKRQPY-ZJUUUORDSA-N 2 1 182.311 1.517 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 45137720 572515379 /nfs/dbraw/zinc/51/53/79/572515379.db2.gz GIYGSXIWLKRQPY-UWVGGRQHSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 53654454 572515414 /nfs/dbraw/zinc/51/54/14/572515414.db2.gz LMOURMAZBOCRKA-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@@H+]1C[C@H](C(C)(C)C)[C@H](C[NH3+])C1 250684264 572515578 /nfs/dbraw/zinc/51/55/78/572515578.db2.gz FXGZZRXRFZDZFF-BDAKNGLRSA-N 2 1 170.300 1.169 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@@H]1C 308051718 572515687 /nfs/dbraw/zinc/51/56/87/572515687.db2.gz SJBBFKSNPMEFHI-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 45137757 572515831 /nfs/dbraw/zinc/51/58/31/572515831.db2.gz KMTSKQBKTGSKHM-DTWKUNHWSA-N 2 1 168.284 1.127 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@H]1C 308051703 572515876 /nfs/dbraw/zinc/51/58/76/572515876.db2.gz SJBBFKSNPMEFHI-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 45137755 572516058 /nfs/dbraw/zinc/51/60/58/572516058.db2.gz KMTSKQBKTGSKHM-IUCAKERBSA-N 2 1 168.284 1.127 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2CCCC[C@@H]21 250647050 572516261 /nfs/dbraw/zinc/51/62/61/572516261.db2.gz VQJLSLGPKBYIFG-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@H+]1CC1CC1 53648591 572516324 /nfs/dbraw/zinc/51/63/24/572516324.db2.gz AIAXCMPHWFDDCZ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H](CCCC[NH3+])[N@@H+](C)C1CC1 308051797 572516373 /nfs/dbraw/zinc/51/63/73/572516373.db2.gz SJFXBEIUNDBQGS-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])[C@H](C(C)(C)C)C1 250684268 572516421 /nfs/dbraw/zinc/51/64/21/572516421.db2.gz FXGZZRXRFZDZFF-RKDXNWHRSA-N 2 1 170.300 1.169 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]2CCCC[C@H]21 250647047 572516428 /nfs/dbraw/zinc/51/64/28/572516428.db2.gz VQJLSLGPKBYIFG-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](C[NH3+])CC1 250685708 572516622 /nfs/dbraw/zinc/51/66/22/572516622.db2.gz GRXKOGWYISBDRL-QWRGUYRKSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CC[C@@H]1C 308051709 572516788 /nfs/dbraw/zinc/51/67/88/572516788.db2.gz SJBBFKSNPMEFHI-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP C/C=C\CC[NH2+][C@H](C[NH3+])[C@H](C)CC 308050032 572517482 /nfs/dbraw/zinc/51/74/82/572517482.db2.gz APRCJXYQGYOMIO-DPIUTZRQSA-N 2 1 184.327 1.916 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CC(C)(C)C 308050086 572517848 /nfs/dbraw/zinc/51/78/48/572517848.db2.gz ROEKFFQQXZJQIY-VIFPVBQESA-N 2 1 172.316 1.750 10 0 ADAEMP CC[NH2+]CC(C)(C)[NH+]1CCCC1 308050642 572517899 /nfs/dbraw/zinc/51/78/99/572517899.db2.gz RWSUBMINLKVUBZ-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H]([NH3+])C1CCCC1 250650443 572517978 /nfs/dbraw/zinc/51/79/78/572517978.db2.gz WNZKMDRONJVZLL-NEPJUHHUSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@@H]([NH3+])c1cn2cc(C)[nH+]c2[nH]1 74268791 572518588 /nfs/dbraw/zinc/51/85/88/572518588.db2.gz CXPYHFCOBFXTQS-MRVPVSSYSA-N 2 1 192.266 1.771 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H]1CC[C@H](C)C1 308050713 572518176 /nfs/dbraw/zinc/51/81/76/572518176.db2.gz RXJINFTXRJDYGO-GUBZILKMSA-N 2 1 170.300 1.373 10 0 ADAEMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH+](C)C 74268351 572518276 /nfs/dbraw/zinc/51/82/76/572518276.db2.gz BGPRXFFJPVMURB-JQWIXIFHSA-N 2 1 192.306 1.507 10 0 ADAEMP C/C=C\CC[NH2+][C@@](C)(C[NH3+])C(C)C 308050976 572518353 /nfs/dbraw/zinc/51/83/53/572518353.db2.gz DAUJOZHOOMDVFW-GZTOBOFZSA-N 2 1 184.327 1.916 10 0 ADAEMP C[N@@H+](CC1(C)CC[NH2+]CC1)C1CC1 62841678 572518494 /nfs/dbraw/zinc/51/84/94/572518494.db2.gz FKESLPUSOHCGRY-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH+](C)C 74268352 572518630 /nfs/dbraw/zinc/51/86/30/572518630.db2.gz BGPRXFFJPVMURB-PWSUYJOCSA-N 2 1 192.306 1.507 10 0 ADAEMP CC[C@H](C)c1[nH+]ccn1CC[NH3+] 238283352 572518979 /nfs/dbraw/zinc/51/89/79/572518979.db2.gz BANBGTKFIAKLLC-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP C/C=C\CC[NH2+][C@](C)(C[NH3+])C(C)C 308050977 572518981 /nfs/dbraw/zinc/51/89/81/572518981.db2.gz DAUJOZHOOMDVFW-ISALQUGTSA-N 2 1 184.327 1.916 10 0 ADAEMP 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62949154 572519851 /nfs/dbraw/zinc/51/98/51/572519851.db2.gz HSQSBEVJUVWVQF-VHSXEESVSA-N 2 1 193.294 1.759 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@H]2CCC[NH2+]2)CC1 250650413 572519965 /nfs/dbraw/zinc/51/99/65/572519965.db2.gz WNSGUKCDKTUEFY-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@@H](C)[NH2+]C1 62949157 572519984 /nfs/dbraw/zinc/51/99/84/572519984.db2.gz HSQSBEVJUVWVQF-ZJUUUORDSA-N 2 1 193.294 1.759 10 0 ADAEMP C/C=C\CC[NH2+][C@H](C[NH3+])[C@@H](C)CC 308050033 572520150 /nfs/dbraw/zinc/52/01/50/572520150.db2.gz APRCJXYQGYOMIO-LQKZOZGNSA-N 2 1 184.327 1.916 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@@H]2CCC[C@H]21 250650952 572520160 /nfs/dbraw/zinc/52/01/60/572520160.db2.gz WSVDMDRSCURFED-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@H]([NH3+])c1cn2cc(C)[nH+]c2[nH]1 74268789 572520346 /nfs/dbraw/zinc/52/03/46/572520346.db2.gz CXPYHFCOBFXTQS-QMMMGPOBSA-N 2 1 192.266 1.771 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H](C(C)(C)C)CC1 250685711 572520424 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YHBABXSLIUPQBQ-DTWKUNHWSA-N 2 1 196.319 1.495 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1c1ccccc1 250665864 572522872 /nfs/dbraw/zinc/52/28/72/572522872.db2.gz ZRZBICJEHYJQOR-USZNOCQGSA-N 2 1 188.274 1.246 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H](C[NH3+])C2CCC2)C1 250664840 572522941 /nfs/dbraw/zinc/52/29/41/572522941.db2.gz ZMURIYCRVWOOLA-WDEREUQCSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@H]21 250653040 572522979 /nfs/dbraw/zinc/52/29/79/572522979.db2.gz XFIVEHIVTCHBMA-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]2CC3(CC3)C[NH2+]2)C1 250656035 572523065 /nfs/dbraw/zinc/52/30/65/572523065.db2.gz XUKRGRKARGIVNV-GHMZBOCLSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 62992127 572523121 /nfs/dbraw/zinc/52/31/21/572523121.db2.gz NJKWLQBQTIXSFG-SECBINFHSA-N 2 1 183.299 1.305 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H](C2CC2)CC1 250652402 572523169 /nfs/dbraw/zinc/52/31/69/572523169.db2.gz WZSMZZLSCUDCIE-GHMZBOCLSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@H]2CCCC[C@H]21 250654283 572523191 /nfs/dbraw/zinc/52/31/91/572523191.db2.gz XLOIFQFBJYLEMG-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@H]12 62992611 572523249 /nfs/dbraw/zinc/52/32/49/572523249.db2.gz ZSOCJEIQLHKEKY-VHSXEESVSA-N 2 1 195.310 1.590 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@H]1C1CCCC1 250664751 572523263 /nfs/dbraw/zinc/52/32/63/572523263.db2.gz ZMIRZHKKQKQBJO-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 62992130 572523291 /nfs/dbraw/zinc/52/32/91/572523291.db2.gz YVWWEEABUZAHDS-JTQLQIEISA-N 2 1 197.326 1.551 10 0 ADAEMP C[N@H+]1CC[C@H](c2ccco2)[C@H]1CC[NH3+] 250664638 572523294 /nfs/dbraw/zinc/52/32/94/572523294.db2.gz ZKVDNCACHFBCTD-VHSXEESVSA-N 2 1 194.278 1.416 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C1 250662783 572523314 /nfs/dbraw/zinc/52/33/14/572523314.db2.gz ZBSMFTHVNDLXSC-GMTAPVOTSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C1CCCC1 250664747 572523388 /nfs/dbraw/zinc/52/33/88/572523388.db2.gz ZMIRZHKKQKQBJO-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH3+])[C@H]1CC1CC1 250666497 572523401 /nfs/dbraw/zinc/52/34/01/572523401.db2.gz ZWINYVGYTGHNGD-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@H]1CC(F)(F)F 250658188 572523417 /nfs/dbraw/zinc/52/34/17/572523417.db2.gz YFSKGHAVCMYFJZ-BQBZGAKWSA-N 2 1 196.216 1.360 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1CC(F)(F)F 250658188 572523421 /nfs/dbraw/zinc/52/34/21/572523421.db2.gz YFSKGHAVCMYFJZ-BQBZGAKWSA-N 2 1 196.216 1.360 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[C@H](C[NH3+])C[C@H]21 250653039 572523432 /nfs/dbraw/zinc/52/34/32/572523432.db2.gz XFIVEHIVTCHBMA-IVZWLZJFSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@@H]2CC[NH2+]C[C@@H]21 250821222 572528323 /nfs/dbraw/zinc/52/83/23/572528323.db2.gz ZYIDFKAZLAMHKB-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1C1CCCC1 250664078 572523516 /nfs/dbraw/zinc/52/35/16/572523516.db2.gz ZIJJOJWPZSLUAZ-VLEAKVRGSA-N 2 1 180.295 1.064 10 0 ADAEMP [NH2+]=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 62992502 572523522 /nfs/dbraw/zinc/52/35/22/572523522.db2.gz GQELBKFHUSLPFF-SECBINFHSA-N 2 1 193.294 1.200 10 0 ADAEMP [NH2+]=C(N[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 62992502 572523526 /nfs/dbraw/zinc/52/35/26/572523526.db2.gz GQELBKFHUSLPFF-SECBINFHSA-N 2 1 193.294 1.200 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@H]12 62992610 572523795 /nfs/dbraw/zinc/52/37/95/572523795.db2.gz ZSOCJEIQLHKEKY-NXEZZACHSA-N 2 1 195.310 1.590 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](C[NH3+])C2CCC2)C1 250664839 572523847 /nfs/dbraw/zinc/52/38/47/572523847.db2.gz ZMURIYCRVWOOLA-GHMZBOCLSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)C(=[NH2+])NCCc1[nH+]ccn1C 62993671 572523992 /nfs/dbraw/zinc/52/39/92/572523992.db2.gz HUNWGZYBKBTSJD-UHFFFAOYSA-N 2 1 194.282 1.185 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2CC3(CC3)C[NH2+]2)C1 250656038 572523918 /nfs/dbraw/zinc/52/39/18/572523918.db2.gz XUKRGRKARGIVNV-WDEREUQCSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC(=[NH2+])N[C@@H](CC(C)C)C[NH+](C)C 62992026 572523967 /nfs/dbraw/zinc/52/39/67/572523967.db2.gz KHNATNKWDBSHJF-JTQLQIEISA-N 2 1 199.342 1.940 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1C1CCCC1 250664082 572523970 /nfs/dbraw/zinc/52/39/70/572523970.db2.gz ZIJJOJWPZSLUAZ-ZRUFSTJUSA-N 2 1 180.295 1.064 10 0 ADAEMP C[N@H+]1CC[C@@H](c2ccco2)[C@H]1CC[NH3+] 250664636 572523984 /nfs/dbraw/zinc/52/39/84/572523984.db2.gz ZKVDNCACHFBCTD-NXEZZACHSA-N 2 1 194.278 1.416 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1ccccc1 250665866 572523998 /nfs/dbraw/zinc/52/39/98/572523998.db2.gz ZRZBICJEHYJQOR-WHOHXGKFSA-N 2 1 188.274 1.246 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H](C[NH3+])C2CC2)CC1 250652608 572524121 /nfs/dbraw/zinc/52/41/21/572524121.db2.gz XBVYRNAFKLOUKE-JQWIXIFHSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CC[C@H]1[C@H](CC[NH3+])C1CC1 250652981 572524152 /nfs/dbraw/zinc/52/41/52/572524152.db2.gz XCTKCXCJLPFLSU-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH3+])[C@@H]2CCCC[C@@H]21 250654289 572524163 /nfs/dbraw/zinc/52/41/63/572524163.db2.gz XLOIFQFBJYLEMG-SRVKXCTJSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH2+]=C(N[C@@H]1CC[N@H+]2CCC[C@@H]12)C1CC1 62992615 572524187 /nfs/dbraw/zinc/52/41/87/572524187.db2.gz AEEWRXSVWUTRBL-ZJUUUORDSA-N 2 1 193.294 1.200 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@H]1CC1CC1 250666496 572524220 /nfs/dbraw/zinc/52/42/20/572524220.db2.gz ZWINYVGYTGHNGD-NXEZZACHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCCC[C@@H]1C[NH3+] 84302899 572524221 /nfs/dbraw/zinc/52/42/21/572524221.db2.gz ICXYFTHLZUKPNF-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C2CC2)CC1 250652404 572524623 /nfs/dbraw/zinc/52/46/23/572524623.db2.gz WZSMZZLSCUDCIE-WDEREUQCSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](c2cccs2)C1 250658645 572524918 /nfs/dbraw/zinc/52/49/18/572524918.db2.gz YHBABXSLIUPQBQ-IUCAKERBSA-N 2 1 196.319 1.495 10 0 ADAEMP CC(C)(C)[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 250698733 572524949 /nfs/dbraw/zinc/52/49/49/572524949.db2.gz NFQMGDALKSLMLK-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH2+]=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 62992503 572525102 /nfs/dbraw/zinc/52/51/02/572525102.db2.gz GQELBKFHUSLPFF-VIFPVBQESA-N 2 1 193.294 1.200 10 0 ADAEMP [NH2+]=C(N[C@H]1CC[N@H+](C2CC2)C1)C1CC1 62992503 572525109 /nfs/dbraw/zinc/52/51/09/572525109.db2.gz GQELBKFHUSLPFF-VIFPVBQESA-N 2 1 193.294 1.200 10 0 ADAEMP C[N@H+]1CCC[C@]12CCC[C@@H](C[NH3+])C2 250665237 572525133 /nfs/dbraw/zinc/52/51/33/572525133.db2.gz ZPDKOTAKCXOAGV-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@@H+]1CCC[C@H](NC(=[NH2+])C2CC2)C1 62992159 572525273 /nfs/dbraw/zinc/52/52/73/572525273.db2.gz KTEMHPSYVGKKFI-JTQLQIEISA-N 2 1 195.310 1.448 10 0 ADAEMP CC[N@H+]1CCC[C@H](NC(=[NH2+])C2CC2)C1 62992159 572525276 /nfs/dbraw/zinc/52/52/76/572525276.db2.gz KTEMHPSYVGKKFI-JTQLQIEISA-N 2 1 195.310 1.448 10 0 ADAEMP [NH2+]=C(N[C@@H]1CC[N@H+]2CCC[C@H]12)C1CC1 62992614 572525396 /nfs/dbraw/zinc/52/53/96/572525396.db2.gz AEEWRXSVWUTRBL-NXEZZACHSA-N 2 1 193.294 1.200 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 62992131 572525496 /nfs/dbraw/zinc/52/54/96/572525496.db2.gz YVWWEEABUZAHDS-SNVBAGLBSA-N 2 1 197.326 1.551 10 0 ADAEMP CCc1cc(OCCC[NH3+])cc[nH+]1 307786711 572525542 /nfs/dbraw/zinc/52/55/42/572525542.db2.gz NEMSCJXRFPRGEL-UHFFFAOYSA-N 2 1 180.251 1.372 10 0 ADAEMP C[N@@H+](C[C@H]1CCCC[C@@H]1C[NH3+])C1CC1 84302913 572525638 /nfs/dbraw/zinc/52/56/38/572525638.db2.gz UAWXFRJDSXCHNC-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1CC[N@H+](C)C1 62992732 572525669 /nfs/dbraw/zinc/52/56/69/572525669.db2.gz ZTEHCDJEIIZALC-MRVPVSSYSA-N 2 1 169.272 1.057 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1CC[N@@H+](C)C1 62992732 572525674 /nfs/dbraw/zinc/52/56/74/572525674.db2.gz ZTEHCDJEIIZALC-MRVPVSSYSA-N 2 1 169.272 1.057 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2C[C@@H]([NH3+])C[C@H]2C1 250814736 572525767 /nfs/dbraw/zinc/52/57/67/572525767.db2.gz WJMYWYZCOGVNLB-GARJFASQSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 62992126 572525873 /nfs/dbraw/zinc/52/58/73/572525873.db2.gz NJKWLQBQTIXSFG-VIFPVBQESA-N 2 1 183.299 1.305 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@@H]2CCCC[C@H]2C[NH2+]1 250847388 572525880 /nfs/dbraw/zinc/52/58/80/572525880.db2.gz JAMGCTPZONGPGB-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@H](CC[NH3+])C[C@@H](C)[N@H+]1C 250889606 572526261 /nfs/dbraw/zinc/52/62/61/572526261.db2.gz CETGNDZWPVDOAR-MYJAWHEDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 250813102 572526332 /nfs/dbraw/zinc/52/63/32/572526332.db2.gz VQOHYTUECLYQMS-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1[C@@H](CN)c1ccoc1 63047756 572526709 /nfs/dbraw/zinc/52/67/09/572526709.db2.gz VXJMZPRGWURNCW-KOLCDFICSA-N 2 1 194.278 1.764 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@@H]2CC[NH2+]C[C@H]21 250821221 572526399 /nfs/dbraw/zinc/52/63/99/572526399.db2.gz ZYIDFKAZLAMHKB-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2CC[NH2+]C[C@H]21 250821221 572526401 /nfs/dbraw/zinc/52/64/01/572526401.db2.gz ZYIDFKAZLAMHKB-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H](CN)c1ccoc1 63047756 572526714 /nfs/dbraw/zinc/52/67/14/572526714.db2.gz VXJMZPRGWURNCW-KOLCDFICSA-N 2 1 194.278 1.764 10 0 ADAEMP C[C@H]1CCC[N@@H+]1[C@@H](CN)c1ccoc1 63047757 572526494 /nfs/dbraw/zinc/52/64/94/572526494.db2.gz VXJMZPRGWURNCW-ONGXEEELSA-N 2 1 194.278 1.764 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H](CN)c1ccoc1 63047757 572526500 /nfs/dbraw/zinc/52/65/00/572526500.db2.gz VXJMZPRGWURNCW-ONGXEEELSA-N 2 1 194.278 1.764 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@H]1CC[C@@H](C[NH3+])C1 250813105 572526564 /nfs/dbraw/zinc/52/65/64/572526564.db2.gz VQOHYTUECLYQMS-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 250814740 572526594 /nfs/dbraw/zinc/52/65/94/572526594.db2.gz WJMYWYZCOGVNLB-GMTAPVOTSA-N 2 1 196.338 1.702 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCC[C@@H]1C[NH3+])C1CC1 84302910 572526641 /nfs/dbraw/zinc/52/66/41/572526641.db2.gz UAWXFRJDSXCHNC-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@@H](CN)c2ccoc2)C1 63047769 572526745 /nfs/dbraw/zinc/52/67/45/572526745.db2.gz SXDKLTHSLYJYCH-ONGXEEELSA-N 2 1 194.278 1.621 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](CN)c2ccoc2)C1 63047769 572526750 /nfs/dbraw/zinc/52/67/50/572526750.db2.gz SXDKLTHSLYJYCH-ONGXEEELSA-N 2 1 194.278 1.621 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@H]2CCCC[C@H]2C[NH2+]1 250847386 572526770 /nfs/dbraw/zinc/52/67/70/572526770.db2.gz JAMGCTPZONGPGB-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2CC[NH2+]C[C@@H]21 250821222 572528327 /nfs/dbraw/zinc/52/83/27/572528327.db2.gz ZYIDFKAZLAMHKB-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C1CC[N@H+]2C[C@]3(CC[NH2+]C3)C[C@H]2C1 250871820 572527120 /nfs/dbraw/zinc/52/71/20/572527120.db2.gz SOPUQMUXXDFWPY-GHMZBOCLSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC[N@H+]2CC[C@@H]([NH2+]C3CC3)C[C@H]2C1 250812142 572527163 /nfs/dbraw/zinc/52/71/63/572527163.db2.gz DNNVFIUOSRSNJG-VXGBXAGGSA-N 2 1 194.322 1.755 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]([NH2+]C3CC3)C[C@H]2C1 250812142 572527166 /nfs/dbraw/zinc/52/71/66/572527166.db2.gz DNNVFIUOSRSNJG-VXGBXAGGSA-N 2 1 194.322 1.755 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@@H](CN)c2ccoc2)C1 63047768 572527216 /nfs/dbraw/zinc/52/72/16/572527216.db2.gz SXDKLTHSLYJYCH-KOLCDFICSA-N 2 1 194.278 1.621 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H](CN)c2ccoc2)C1 63047768 572527228 /nfs/dbraw/zinc/52/72/28/572527228.db2.gz SXDKLTHSLYJYCH-KOLCDFICSA-N 2 1 194.278 1.621 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccoc2)C1 63048086 572527257 /nfs/dbraw/zinc/52/72/57/572527257.db2.gz VCCHVQHRNAMGAP-SECBINFHSA-N 2 1 180.251 1.060 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccoc2)C1 63048087 572527290 /nfs/dbraw/zinc/52/72/90/572527290.db2.gz VCCHVQHRNAMGAP-VIFPVBQESA-N 2 1 180.251 1.060 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 250814746 572527619 /nfs/dbraw/zinc/52/76/19/572527619.db2.gz WJMYWYZCOGVNLB-OUAUKWLOSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@H]2CCC[C@H]2C[NH2+]1 250848568 572527859 /nfs/dbraw/zinc/52/78/59/572527859.db2.gz KJNPOXFIUORPDT-GUBZILKMSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[C@H](CC[NH3+])C[C@@H](C)[N@H+]1C 250889605 572528017 /nfs/dbraw/zinc/52/80/17/572528017.db2.gz CETGNDZWPVDOAR-ILWJIGKKSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1C[C@]2(CC[NH2+]C2)C[C@@H](C)[N@H+]1C 250890137 572528024 /nfs/dbraw/zinc/52/80/24/572528024.db2.gz COGBUDNDEGPHLR-URLYPYJESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C1C(C)(C)C1(C)C 235124260 572528106 /nfs/dbraw/zinc/52/81/06/572528106.db2.gz KYABYQPTIJFUCG-ZETCQYMHSA-N 2 1 170.300 1.358 10 0 ADAEMP C1CC[N@H+]2C[C@@]3(CC[NH2+]C3)C[C@H]2C1 250871823 572528163 /nfs/dbraw/zinc/52/81/63/572528163.db2.gz SOPUQMUXXDFWPY-MNOVXSKESA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)[C@H]2C1 250860908 572528241 /nfs/dbraw/zinc/52/82/41/572528241.db2.gz QFFAWKDAZFWKDR-NEPJUHHUSA-N 2 1 194.322 1.614 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@@H]2CCC[C@H]2C[NH2+]1 250848571 572528471 /nfs/dbraw/zinc/52/84/71/572528471.db2.gz KJNPOXFIUORPDT-LPEHRKFASA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 84311694 572528512 /nfs/dbraw/zinc/52/85/12/572528512.db2.gz FIHUKIDQZRSBPS-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+][C@H]1[C@@H]2C[N@H+](C3CCCCC3)C[C@H]12 250827851 572528653 /nfs/dbraw/zinc/52/86/53/572528653.db2.gz IBDLJHIRMLXLDK-URLYPYJESA-N 2 1 180.295 1.208 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311683 572528803 /nfs/dbraw/zinc/52/88/03/572528803.db2.gz WCCKLDOUJQLYKV-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@@H]1C[NH3+])C1CC1 84311697 572528833 /nfs/dbraw/zinc/52/88/33/572528833.db2.gz FIHUKIDQZRSBPS-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[C@@]1([NH3+])CCC[N@@H+](C)C1 84329068 572536076 /nfs/dbraw/zinc/53/60/76/572536076.db2.gz GDIBOUXGPAONQG-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2C[C@H]([NH3+])C[C@H]2C1 250814744 572528905 /nfs/dbraw/zinc/52/89/05/572528905.db2.gz WJMYWYZCOGVNLB-HBNTYKKESA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1C[C@@]2(CC[NH2+]C2)C[C@@H](C)[N@H+]1C 250890135 572528933 /nfs/dbraw/zinc/52/89/33/572528933.db2.gz COGBUDNDEGPHLR-JGPRNRPPSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](C[C@H]1CCC[C@@H]1C[NH3+])C1CC1 84311691 572528937 /nfs/dbraw/zinc/52/89/37/572528937.db2.gz JXZSLEWRVAPRMM-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP C1CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)[C@H]2C1 250860910 572528958 /nfs/dbraw/zinc/52/89/58/572528958.db2.gz QFFAWKDAZFWKDR-VXGBXAGGSA-N 2 1 194.322 1.614 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311592 572528977 /nfs/dbraw/zinc/52/89/77/572528977.db2.gz GBNXSQWDGMZFSV-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C1CC[N@H+]2CC[C@H]([NH2+]C3CC3)C[C@H]2C1 250812141 572528982 /nfs/dbraw/zinc/52/89/82/572528982.db2.gz DNNVFIUOSRSNJG-NWDGAFQWSA-N 2 1 194.322 1.755 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([NH2+]C3CC3)C[C@H]2C1 250812141 572528985 /nfs/dbraw/zinc/52/89/85/572528985.db2.gz DNNVFIUOSRSNJG-NWDGAFQWSA-N 2 1 194.322 1.755 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1CCC[C@@H]1C[NH3+] 84311745 572530053 /nfs/dbraw/zinc/53/00/53/572530053.db2.gz SCMFNSSFRZTUSJ-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCC[C@@H]1C[NH3+] 84311587 572529434 /nfs/dbraw/zinc/52/94/34/572529434.db2.gz GBNXSQWDGMZFSV-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])[C@H](CC(C)(C)C)C1 250709929 572529461 /nfs/dbraw/zinc/52/94/61/572529461.db2.gz RFFPSGULYDCBBI-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])[C@H](CC(C)(C)C)C1 250709929 572529463 /nfs/dbraw/zinc/52/94/63/572529463.db2.gz RFFPSGULYDCBBI-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H](CC(C)(C)C)C1 250700636 572529662 /nfs/dbraw/zinc/52/96/62/572529662.db2.gz NYKXELMRBOJQIO-QWRGUYRKSA-N 2 1 198.354 1.949 10 0 ADAEMP CCOC[C@H]([NH3+])[C@@H](N)C1=CCCCC1 238291708 572529669 /nfs/dbraw/zinc/52/96/69/572529669.db2.gz GMYKPFUZXYYDNO-QWRGUYRKSA-N 2 1 198.310 1.178 10 0 ADAEMP C[N@H+]1CC[C@@H](CC(C)(C)C)[C@H](C[NH3+])C1 250701979 572529672 /nfs/dbraw/zinc/52/96/72/572529672.db2.gz OKVQHEMQMMJCQB-WDEREUQCSA-N 2 1 198.354 1.949 10 0 ADAEMP C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]([NH3+])C1 250713978 572529879 /nfs/dbraw/zinc/52/98/79/572529879.db2.gz SKNKMYPPEHRIEJ-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]([NH3+])C1 250713978 572529881 /nfs/dbraw/zinc/52/98/81/572529881.db2.gz SKNKMYPPEHRIEJ-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 84311687 572530223 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MCRDVTHCMAYYFC-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 74282184 572535098 /nfs/dbraw/zinc/53/50/98/572535098.db2.gz QUYVSBDUDKFJDO-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 250776036 572535659 /nfs/dbraw/zinc/53/56/59/572535659.db2.gz VDDIZBDTBAOKFM-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 250776036 572535663 /nfs/dbraw/zinc/53/56/63/572535663.db2.gz VDDIZBDTBAOKFM-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)[C@]1([NH3+])CCC[N@H+](C)C1 84329066 572535650 /nfs/dbraw/zinc/53/56/50/572535650.db2.gz GDIBOUXGPAONQG-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@]1([NH3+])CCC[N@@H+](C)C1 84329066 572535653 /nfs/dbraw/zinc/53/56/53/572535653.db2.gz GDIBOUXGPAONQG-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@@]1([NH3+])CCC[N@H+](C)C1 84329068 572536073 /nfs/dbraw/zinc/53/60/73/572536073.db2.gz GDIBOUXGPAONQG-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])C1CCCCCC1 84328794 572536125 /nfs/dbraw/zinc/53/61/25/572536125.db2.gz WMCFKABRUGPVNP-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP C[N@H+]1CC(C)(C)[NH2+]C[C@@H]2CCC[C@@H]21 250795872 572536221 /nfs/dbraw/zinc/53/62/21/572536221.db2.gz MCRDVTHCMAYYFC-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)CC[N@H+]([C@H]2CC[C@@H](C[NH3+])C2)C1 250794172 572536437 /nfs/dbraw/zinc/53/64/37/572536437.db2.gz LDDYIVQPOGWQME-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CC[N@H+]([C@@H]2CC[C@@H](C[NH3+])C2)C1 250794167 572536542 /nfs/dbraw/zinc/53/65/42/572536542.db2.gz LDDYIVQPOGWQME-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP C1CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C[C@H]2C1 250801395 572536618 /nfs/dbraw/zinc/53/66/18/572536618.db2.gz BPCWLQAXKAXVTF-NEPJUHHUSA-N 2 1 194.322 1.614 10 0 ADAEMP C/C=C/C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63195774 572536698 /nfs/dbraw/zinc/53/66/98/572536698.db2.gz ICZQDBUYSWSQDT-YIZUVKHSSA-N 2 1 182.311 1.764 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])C1CCCCCC1 84328792 572536717 /nfs/dbraw/zinc/53/67/17/572536717.db2.gz WMCFKABRUGPVNP-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP [NH3+]CC[NH2+]CC1CCCCCC1 84329114 572536936 /nfs/dbraw/zinc/53/69/36/572536936.db2.gz MRMSCRSQIVADAA-UHFFFAOYSA-N 2 1 170.300 1.505 10 0 ADAEMP CC[C@]([NH3+])(C[NH2+]C)c1ccccc1 238296538 572536946 /nfs/dbraw/zinc/53/69/46/572536946.db2.gz TXNACEYEZSLMCR-NSHDSACASA-N 2 1 178.279 1.470 10 0 ADAEMP CC(C)C[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 74282181 572537488 /nfs/dbraw/zinc/53/74/88/572537488.db2.gz QUYVSBDUDKFJDO-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1CCC[C@H](C[NH2+]CC[NH3+])C1 84341743 572537519 /nfs/dbraw/zinc/53/75/19/572537519.db2.gz BEFLQFHJODZZMM-UWVGGRQHSA-N 2 1 170.300 1.361 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84386007 572537650 /nfs/dbraw/zinc/53/76/50/572537650.db2.gz JUEHAUWTRIEXCY-WOPDTQHZSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@H]1CCC[C@H](C)C1 84342429 572537847 /nfs/dbraw/zinc/53/78/47/572537847.db2.gz GKTWGKBFHLJCPY-GARJFASQSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384826 572538050 /nfs/dbraw/zinc/53/80/50/572538050.db2.gz KZBBIIDSNVWRJD-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1[C@@H]2C[C@H](C[NH3+])C[C@@H]2C[C@@H](C)[N@@H+]1C 250919021 572538060 /nfs/dbraw/zinc/53/80/60/572538060.db2.gz ZPGIPGHPKNBHNJ-LVEVGFFFSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1C[C@@H](CCC[NH3+])C[C@@H](C)[N@H+]1C 250916473 572538284 /nfs/dbraw/zinc/53/82/84/572538284.db2.gz XYHHZABZXSNHBR-URLYPYJESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@H]([NH2+]C2CC2)C[C@@H](C)[N@H+]1C 250908761 572538145 /nfs/dbraw/zinc/53/81/45/572538145.db2.gz SZOMKSGVSLKWMD-DOFRTFSJSA-N 2 1 182.311 1.610 10 0 ADAEMP C[C@H]1[C@@H]2C[C@@H](C[NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 250919019 572538205 /nfs/dbraw/zinc/53/82/05/572538205.db2.gz ZPGIPGHPKNBHNJ-IIRVCBMXSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1[C@@H]2CC[C@H]([NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 250910282 572538217 /nfs/dbraw/zinc/53/82/17/572538217.db2.gz UQTALALSFVHPCJ-LVEVGFFFSA-N 2 1 196.338 1.843 10 0 ADAEMP C[C@H]1C[C@@H](CC(=O)C[NH3+])C[C@@H](C)[N@H+]1C 250910174 572538226 /nfs/dbraw/zinc/53/82/26/572538226.db2.gz UINLBYXEJDQMMW-MYJAWHEDSA-N 2 1 198.310 1.023 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])C1CCC(C)CC1 84339315 572538231 /nfs/dbraw/zinc/53/82/31/572538231.db2.gz RZZGYCVBIDAZMX-VQXHTEKXSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1C[C@H](C2([NH3+])CC2)C[C@@H](C)[N@H+]1C 250911806 572538311 /nfs/dbraw/zinc/53/83/11/572538311.db2.gz VPKJIAZHDGLHGO-ILWJIGKKSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1CCC([C@@H](C[NH3+])[NH2+]C2CC2)CC1 84339320 572538317 /nfs/dbraw/zinc/53/83/17/572538317.db2.gz AITIOBNUOAOQIG-RTYFJBAXSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@H]1[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C[C@@H](C)[N@@H+]1C 250910279 572538319 /nfs/dbraw/zinc/53/83/19/572538319.db2.gz UQTALALSFVHPCJ-IIRVCBMXSA-N 2 1 196.338 1.843 10 0 ADAEMP C[C@H]1C[C@H](CCC[NH3+])C[C@@H](C)[N@H+]1C 250916470 572538371 /nfs/dbraw/zinc/53/83/71/572538371.db2.gz XYHHZABZXSNHBR-JGPRNRPPSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCC1 84385768 572538372 /nfs/dbraw/zinc/53/83/72/572538372.db2.gz SYRFXCXCMOHSGG-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H]1[C@@H]2C[C@H]([NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 250913323 572538395 /nfs/dbraw/zinc/53/83/95/572538395.db2.gz WCUZMEKFHJVGFQ-QGKZMRNZSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1[C@@H]2CC[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 250910284 572538420 /nfs/dbraw/zinc/53/84/20/572538420.db2.gz UQTALALSFVHPCJ-ROHXPCBUSA-N 2 1 196.338 1.843 10 0 ADAEMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCC1 84385764 572538425 /nfs/dbraw/zinc/53/84/25/572538425.db2.gz SYRFXCXCMOHSGG-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H]1C[C@@](C)([NH3+])C[C@@H](C)[N@H+]1C 250917560 572538448 /nfs/dbraw/zinc/53/84/48/572538448.db2.gz YHWJCXWQRKRARM-BRPSZJMVSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]1C[C@](C)([NH3+])C[C@@H](C)[N@H+]1C 250917556 572538479 /nfs/dbraw/zinc/53/84/79/572538479.db2.gz YHWJCXWQRKRARM-AYMMMOKOSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 84384516 572538482 /nfs/dbraw/zinc/53/84/82/572538482.db2.gz SLPOKKLAAMVDCU-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1C[C@H](CC2([NH3+])CC2)C[C@@H](C)[N@H+]1C 250919026 572538572 /nfs/dbraw/zinc/53/85/72/572538572.db2.gz ZPLUNDMLYOFABD-JGPRNRPPSA-N 2 1 196.338 1.987 10 0 ADAEMP CCc1cc(OCC[NH2+]C)cc[nH+]1 307795248 572538608 /nfs/dbraw/zinc/53/86/08/572538608.db2.gz SMIADOSHYHFLBH-UHFFFAOYSA-N 2 1 180.251 1.242 10 0 ADAEMP C[C@H]1C[C@H](CC(=O)C[NH3+])C[C@@H](C)[N@H+]1C 250910172 572538634 /nfs/dbraw/zinc/53/86/34/572538634.db2.gz UINLBYXEJDQMMW-ILWJIGKKSA-N 2 1 198.310 1.023 10 0 ADAEMP C[C@H]1C[C@@H](C2([NH3+])CC2)C[C@@H](C)[N@H+]1C 250911809 572538662 /nfs/dbraw/zinc/53/86/62/572538662.db2.gz VPKJIAZHDGLHGO-MYJAWHEDSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CCC[C@@H](C[NH2+]CC[NH3+])C1 84341746 572538691 /nfs/dbraw/zinc/53/86/91/572538691.db2.gz BEFLQFHJODZZMM-VHSXEESVSA-N 2 1 170.300 1.361 10 0 ADAEMP C[C@@H]1CCC[C@H](C[NH2+]CC[NH3+])C1 84341742 572538713 /nfs/dbraw/zinc/53/87/13/572538713.db2.gz BEFLQFHJODZZMM-ZJUUUORDSA-N 2 1 170.300 1.361 10 0 ADAEMP C[C@H]1[C@@H]2C[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 250913328 572538718 /nfs/dbraw/zinc/53/87/18/572538718.db2.gz WCUZMEKFHJVGFQ-XXFSISAASA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C[C@@H](C)[N@@H+]1C 250919016 572538730 /nfs/dbraw/zinc/53/87/30/572538730.db2.gz ZPGIPGHPKNBHNJ-DGORSVRFSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1C[C@@H](C[NH2+]C2CC2)C[C@@H](C)[N@H+]1C 250902675 572538758 /nfs/dbraw/zinc/53/87/58/572538758.db2.gz OUTLKYATOVYTMM-URLYPYJESA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84386003 572538802 /nfs/dbraw/zinc/53/88/02/572538802.db2.gz JUEHAUWTRIEXCY-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@H](C)[N@@H+](C)[C@H](C)C1 250911635 572538846 /nfs/dbraw/zinc/53/88/46/572538846.db2.gz UXYWFBVFJVCIRM-MYJAWHEDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@H]1C[C@H](C[NH2+]C2CC2)C[C@@H](C)[N@H+]1C 250902672 572538873 /nfs/dbraw/zinc/53/88/73/572538873.db2.gz OUTLKYATOVYTMM-JGPRNRPPSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1[C@@H]2C[C@@H]([NH3+])C[C@@H]2C[C@@H](C)[N@@H+]1C 250913320 572538885 /nfs/dbraw/zinc/53/88/85/572538885.db2.gz WCUZMEKFHJVGFQ-NMUGVGKYSA-N 2 1 182.311 1.452 10 0 ADAEMP CC1CCC([C@H](C[NH3+])[NH2+]C2CC2)CC1 84339321 572538988 /nfs/dbraw/zinc/53/89/88/572538988.db2.gz AITIOBNUOAOQIG-CBINBANVSA-N 2 1 196.338 1.892 10 0 ADAEMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 84384642 572539071 /nfs/dbraw/zinc/53/90/71/572539071.db2.gz FGLPBJNJTIESSC-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@H]1C[C@H](C)[N@@H+](C)[C@H](C)C1 250911632 572539075 /nfs/dbraw/zinc/53/90/75/572539075.db2.gz UXYWFBVFJVCIRM-ILWJIGKKSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@H+](C)C[C@@H]([NH3+])CC1CCCC1 74282427 572539091 /nfs/dbraw/zinc/53/90/91/572539091.db2.gz QJQIIQVNLGLMEL-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1[C@@H]2C[C@H](C[NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 250919023 572539138 /nfs/dbraw/zinc/53/91/38/572539138.db2.gz ZPGIPGHPKNBHNJ-ROHXPCBUSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1C[C@@H](CC2([NH3+])CC2)C[C@@H](C)[N@H+]1C 250919028 572539195 /nfs/dbraw/zinc/53/91/95/572539195.db2.gz ZPLUNDMLYOFABD-URLYPYJESA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]1[C@@H]2CC[C@H]([NH3+])C[C@@H]2C[C@@H](C)[N@@H+]1C 250910276 572539220 /nfs/dbraw/zinc/53/92/20/572539220.db2.gz UQTALALSFVHPCJ-DGORSVRFSA-N 2 1 196.338 1.843 10 0 ADAEMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 84384638 572539238 /nfs/dbraw/zinc/53/92/38/572539238.db2.gz FGLPBJNJTIESSC-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+]C2CC2)C[C@@H](C)[N@H+]1C 250908763 572539249 /nfs/dbraw/zinc/53/92/49/572539249.db2.gz SZOMKSGVSLKWMD-JZYVYDRUSA-N 2 1 182.311 1.610 10 0 ADAEMP C[C@@H]1CCC[C@@H](C[NH2+]CC[NH3+])C1 84341744 572539363 /nfs/dbraw/zinc/53/93/63/572539363.db2.gz BEFLQFHJODZZMM-NXEZZACHSA-N 2 1 170.300 1.361 10 0 ADAEMP C[C@@H]1CCC[C@H]([C@@H](C[NH3+])[NH2+]C2CC2)C1 84342468 572539478 /nfs/dbraw/zinc/53/94/78/572539478.db2.gz JKYRELLUKCONGH-JFGNBEQYSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC=C(C)C)C[C@@H]1C 234464758 572539573 /nfs/dbraw/zinc/53/95/73/572539573.db2.gz CARNIIGKAOWNDP-NWDGAFQWSA-N 2 1 196.338 1.882 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@@H]1CCC[C@H](C)C1 84342425 572539745 /nfs/dbraw/zinc/53/97/45/572539745.db2.gz GKTWGKBFHLJCPY-HBNTYKKESA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]([C@H]([NH3+])CC1CCCC1)[NH+](C)C 74282210 572539769 /nfs/dbraw/zinc/53/97/69/572539769.db2.gz IYLOUSXWOYXTFQ-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CC[N@H+]2CCCC[C@@H]12 251072151 572539799 /nfs/dbraw/zinc/53/97/99/572539799.db2.gz FQQKCCRJNJJSER-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1C[C@]12CCC[N@@H+](C)C2 251069888 572539958 /nfs/dbraw/zinc/53/99/58/572539958.db2.gz FDSUHRJWKGXZRV-VWYCJHECSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384513 572539992 /nfs/dbraw/zinc/53/99/92/572539992.db2.gz SLPOKKLAAMVDCU-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])C1CCC(C)CC1 84339314 572540010 /nfs/dbraw/zinc/54/00/10/572540010.db2.gz RZZGYCVBIDAZMX-ILDUYXDCSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H]1CCC[C@@H]([C@@H](C[NH3+])[NH2+]C2CC2)C1 84342471 572540107 /nfs/dbraw/zinc/54/01/07/572540107.db2.gz JKYRELLUKCONGH-CKYFFXLPSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384823 572540117 /nfs/dbraw/zinc/54/01/17/572540117.db2.gz KZBBIIDSNVWRJD-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1C[C@]12CCC[N@@H+](C)C2 251069887 572540159 /nfs/dbraw/zinc/54/01/59/572540159.db2.gz FDSUHRJWKGXZRV-MXWKQRLJSA-N 2 1 182.311 1.313 10 0 ADAEMP CC[N@H+](C)C[C@H]([NH3+])CC1CCCC1 74282423 572540202 /nfs/dbraw/zinc/54/02/02/572540202.db2.gz QJQIIQVNLGLMEL-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCc1cc(OCC(C)(C)[NH3+])cc[nH+]1 307795016 572540439 /nfs/dbraw/zinc/54/04/39/572540439.db2.gz RWZVVGKAKNUPFH-UHFFFAOYSA-N 2 1 194.278 1.760 10 0 ADAEMP C[C@@H]([C@@H]([NH3+])CC1CCCC1)[NH+](C)C 74282213 572541143 /nfs/dbraw/zinc/54/11/43/572541143.db2.gz IYLOUSXWOYXTFQ-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP c1coc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 40407521 572541352 /nfs/dbraw/zinc/54/13/52/572541352.db2.gz OJSNFSOJCZEDLJ-JTQLQIEISA-N 2 1 194.278 1.369 10 0 ADAEMP C[C@@H]([C@H]([NH3+])CC1CCCC1)[NH+](C)C 74282207 572541443 /nfs/dbraw/zinc/54/14/43/572541443.db2.gz IYLOUSXWOYXTFQ-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP C1CC[C@H]2[C@H](CC1)C[N@@H+]2[C@H]1CC[NH2+]C1 687941800 572541971 /nfs/dbraw/zinc/54/19/71/572541971.db2.gz IDWVLZOGYRJWOK-WOPDTQHZSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[C@@H]2C[N@H+]([C@@H]3CC[NH2+]C3)[C@@H]2CC1 687941798 572542249 /nfs/dbraw/zinc/54/22/49/572542249.db2.gz IDWVLZOGYRJWOK-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[C@H]2[C@H](CC1)C[N@@H+]2[C@@H]1CC[NH2+]C1 687941799 572543565 /nfs/dbraw/zinc/54/35/65/572543565.db2.gz IDWVLZOGYRJWOK-UTUOFQBUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[C@@H]2C[N@H+]([C@H]3CC[NH2+]C3)[C@@H]2CC1 687941797 572543915 /nfs/dbraw/zinc/54/39/15/572543915.db2.gz IDWVLZOGYRJWOK-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CC[C@@H](CC(C)C)C1 307798281 572544113 /nfs/dbraw/zinc/54/41/13/572544113.db2.gz JBZAYMREIPYJSB-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CC[C@@H](CC(C)C)C1 307798281 572544117 /nfs/dbraw/zinc/54/41/17/572544117.db2.gz JBZAYMREIPYJSB-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CC[C@H](CC(C)C)C1 307798278 572545119 /nfs/dbraw/zinc/54/51/19/572545119.db2.gz JBZAYMREIPYJSB-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CC[C@H](CC(C)C)C1 307798278 572545122 /nfs/dbraw/zinc/54/51/22/572545122.db2.gz JBZAYMREIPYJSB-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1C[C@]12CCC[N@@H+](C)C2 251235654 572546153 /nfs/dbraw/zinc/54/61/53/572546153.db2.gz REYBWSSHBBPTBE-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@@H]1[C@H]([NH3+])C[C@H](C)[N@H+](C)[C@@H]1C 251220484 572548379 /nfs/dbraw/zinc/54/83/79/572548379.db2.gz YNOGTUXXXJKRRV-ZRUFSTJUSA-N 2 1 184.327 1.843 10 0 ADAEMP CCC[C@H]1[C@H](C)[N@@H+](C)[C@@H](C)C[C@H]1[NH3+] 251220480 572546681 /nfs/dbraw/zinc/54/66/81/572546681.db2.gz YNOGTUXXXJKRRV-XWLWVQCSSA-N 2 1 184.327 1.843 10 0 ADAEMP C[N@H+]1C[C@H]([C@H]2CC[NH2+]C2)CC(C)(C)C1 251218013 572547022 /nfs/dbraw/zinc/54/70/22/572547022.db2.gz YYKFZVXJVMDUMN-WDEREUQCSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@H](C)CC[N@H+]1CC[C@@H](C[NH3+])C1 238309934 572547389 /nfs/dbraw/zinc/54/73/89/572547389.db2.gz XOYVMXOPKDYGSQ-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[C@H]1[C@H](C)[N@@H+](C)[C@H](C)C[C@H]1[NH3+] 251220476 572547621 /nfs/dbraw/zinc/54/76/21/572547621.db2.gz YNOGTUXXXJKRRV-VPOLOUISSA-N 2 1 184.327 1.843 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251240825 572547755 /nfs/dbraw/zinc/54/77/55/572547755.db2.gz AAOGOFKXALFPPA-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C)CC[N@@H+]1CCC[C@@H]1C[NH3+] 238309919 572548040 /nfs/dbraw/zinc/54/80/40/572548040.db2.gz OGGIZILZXNXQSY-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)CC[N@H+]1CCC[C@@H]1C[NH3+] 238309919 572548043 /nfs/dbraw/zinc/54/80/43/572548043.db2.gz OGGIZILZXNXQSY-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)CC[N@@H+]1CC[C@@H]([NH3+])C1 238309944 572548120 /nfs/dbraw/zinc/54/81/20/572548120.db2.gz NGCLEADRAORJJE-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)CC[N@H+]1CC[C@@H]([NH3+])C1 238309944 572548122 /nfs/dbraw/zinc/54/81/22/572548122.db2.gz NGCLEADRAORJJE-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H](F)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 251230473 572548491 /nfs/dbraw/zinc/54/84/91/572548491.db2.gz QFAXJGMBYWSHKN-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251240817 572548772 /nfs/dbraw/zinc/54/87/72/572548772.db2.gz AAOGOFKXALFPPA-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C)CC[N@H+]1CCC[C@@H]([NH3+])C1 238309909 572549001 /nfs/dbraw/zinc/54/90/01/572549001.db2.gz OWBHHUMRUICQLF-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1C[C@]12CCC[N@@H+](C)C2 251235653 572549330 /nfs/dbraw/zinc/54/93/30/572549330.db2.gz REYBWSSHBBPTBE-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@@H]1[C@H]([NH3+])C[C@@H](C)[N@H+](C)[C@@H]1C 251220471 572549339 /nfs/dbraw/zinc/54/93/39/572549339.db2.gz YNOGTUXXXJKRRV-CHWFTXMASA-N 2 1 184.327 1.843 10 0 ADAEMP C[N@H+]1C[C@@H]([C@H]2CC[NH2+]C2)CC(C)(C)C1 251218008 572549393 /nfs/dbraw/zinc/54/93/93/572549393.db2.gz YYKFZVXJVMDUMN-QWRGUYRKSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H](F)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 251230476 572549437 /nfs/dbraw/zinc/54/94/37/572549437.db2.gz QFAXJGMBYWSHKN-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](CCC(N)=[NH2+])C1 307803067 572549793 /nfs/dbraw/zinc/54/97/93/572549793.db2.gz IWZSQHIGYBIXHU-JTQLQIEISA-N 2 1 197.326 1.680 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](CCC(N)=[NH2+])C1 307803070 572549960 /nfs/dbraw/zinc/54/99/60/572549960.db2.gz IWZSQHIGYBIXHU-SNVBAGLBSA-N 2 1 197.326 1.680 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C/C=C/C[NH3+])C1 307802620 572550225 /nfs/dbraw/zinc/55/02/25/572550225.db2.gz KTMOWHJMFBYKNY-PCAWENJQSA-N 2 1 196.338 1.869 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 69626917 572550292 /nfs/dbraw/zinc/55/02/92/572550292.db2.gz DMYTUFYMSHZCLQ-YHROSDCASA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)CC[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 74282147 572550325 /nfs/dbraw/zinc/55/03/25/572550325.db2.gz PXAFXAPKPJUGTI-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])CC[C@H]1C[C@]12CCC[N@@H+](C)C2 251180210 572550821 /nfs/dbraw/zinc/55/08/21/572550821.db2.gz HCEWOZHSZNOSNF-SRVKXCTJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C/C=C/C[NH3+])C1 307802612 572551059 /nfs/dbraw/zinc/55/10/59/572551059.db2.gz KTMOWHJMFBYKNY-AAOUONPWSA-N 2 1 196.338 1.869 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1CC(C)(C)C 74282122 572551078 /nfs/dbraw/zinc/55/10/78/572551078.db2.gz VRVKOPSFAPTJAI-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 74282175 572551317 /nfs/dbraw/zinc/55/13/17/572551317.db2.gz QUYVSBDUDKFJDO-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@H](C)C[C@H]1C[C@@H](C)C[N@H+]1C 238311961 572551396 /nfs/dbraw/zinc/55/13/96/572551396.db2.gz JCKDIFAJVWETET-MXWKQRLJSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+]CC[N@@H+]1CC[C@H](CC(C)C)C1 307802708 572551435 /nfs/dbraw/zinc/55/14/35/572551435.db2.gz FITHTMDPEYYOQC-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]CC[N@H+]1CC[C@H](CC(C)C)C1 307802708 572551440 /nfs/dbraw/zinc/55/14/40/572551440.db2.gz FITHTMDPEYYOQC-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP C[N@H+]1C[C@@H](CC(C)(C)C)C[C@@H]([NH3+])C1 74282077 572551450 /nfs/dbraw/zinc/55/14/50/572551450.db2.gz LXOMFARFUDVVOC-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@@H+]1C[C@@H](CC(C)(C)C)C[C@@H]([NH3+])C1 74282077 572551455 /nfs/dbraw/zinc/55/14/55/572551455.db2.gz LXOMFARFUDVVOC-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C/C=C\C[NH3+])C1 307802617 572551530 /nfs/dbraw/zinc/55/15/30/572551530.db2.gz KTMOWHJMFBYKNY-MVZIDQBPSA-N 2 1 196.338 1.869 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1CC(C)(C)C 74282126 572551648 /nfs/dbraw/zinc/55/16/48/572551648.db2.gz VRVKOPSFAPTJAI-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+]CC[N@@H+]1CC[C@@H](CC(C)C)C1 307802711 572551704 /nfs/dbraw/zinc/55/17/04/572551704.db2.gz FITHTMDPEYYOQC-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]CC[N@H+]1CC[C@@H](CC(C)C)C1 307802711 572551708 /nfs/dbraw/zinc/55/17/08/572551708.db2.gz FITHTMDPEYYOQC-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP C[N@H+]1CC[C@H]2[NH2+]C(C)(C)CC[C@H]2C1 251178154 572551852 /nfs/dbraw/zinc/55/18/52/572551852.db2.gz QGEHTOUWCMUMAZ-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)CC[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C 74282144 572551895 /nfs/dbraw/zinc/55/18/95/572551895.db2.gz PXAFXAPKPJUGTI-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@H](C)C[C@@H]1C[C@@H](C)C[N@H+]1C 238311951 572551924 /nfs/dbraw/zinc/55/19/24/572551924.db2.gz JCKDIFAJVWETET-GMTAPVOTSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1C[C@]12CCC[N@@H+](C)CC2 251186575 572551951 /nfs/dbraw/zinc/55/19/51/572551951.db2.gz IGSDBWSFPYUXKM-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1CCC[NH2+][C@H](CC(C)(C)C)C1 74282157 572551987 /nfs/dbraw/zinc/55/19/87/572551987.db2.gz NRYRZCJXWZWUQC-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@H](CC(C)(C)C)C1 74282157 572551992 /nfs/dbraw/zinc/55/19/92/572551992.db2.gz NRYRZCJXWZWUQC-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C(C)C 74282167 572552025 /nfs/dbraw/zinc/55/20/25/572552025.db2.gz AUJPXYSSRHOLHS-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CC[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 74282062 572552107 /nfs/dbraw/zinc/55/21/07/572552107.db2.gz KQUGOPVEJKSHGE-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C/C=C\C[NH3+])C1 307802624 572552276 /nfs/dbraw/zinc/55/22/76/572552276.db2.gz KTMOWHJMFBYKNY-VSQXVHSFSA-N 2 1 196.338 1.869 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@H](CC(C)(C)C)C1 74282072 572552294 /nfs/dbraw/zinc/55/22/94/572552294.db2.gz LXOMFARFUDVVOC-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@H](CC(C)(C)C)C1 74282072 572552297 /nfs/dbraw/zinc/55/22/97/572552297.db2.gz LXOMFARFUDVVOC-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)CC[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 74282066 572552320 /nfs/dbraw/zinc/55/23/20/572552320.db2.gz KQUGOPVEJKSHGE-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1CC(C)(C)C 74282118 572552486 /nfs/dbraw/zinc/55/24/86/572552486.db2.gz VRVKOPSFAPTJAI-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP 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C[C@H]([NH3+])CC[C@H]1C[C@]12CC[N@@H+](C)C2 251166804 572552964 /nfs/dbraw/zinc/55/29/64/572552964.db2.gz DELWHZMFWPEEDS-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+]1CCC[NH2+][C@@H](CC(C)(C)C)C1 74282161 572553268 /nfs/dbraw/zinc/55/32/68/572553268.db2.gz NRYRZCJXWZWUQC-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@@H](CC(C)(C)C)C1 74282161 572553270 /nfs/dbraw/zinc/55/32/70/572553270.db2.gz NRYRZCJXWZWUQC-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)CC[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 74282056 572553370 /nfs/dbraw/zinc/55/33/70/572553370.db2.gz KQUGOPVEJKSHGE-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1C[C@]12CCC[N@@H+](C)CC2 251186571 572553500 /nfs/dbraw/zinc/55/35/00/572553500.db2.gz IGSDBWSFPYUXKM-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@@H]1C[NH2+]C 84443070 572554414 /nfs/dbraw/zinc/55/44/14/572554414.db2.gz XLBHGMYTQULJKK-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP 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235149948 572554827 /nfs/dbraw/zinc/55/48/27/572554827.db2.gz HCMACSRLNWWJIE-JGVFFNPUSA-N 2 1 158.289 1.358 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H]1C[NH2+]C 84443071 572555972 /nfs/dbraw/zinc/55/59/72/572555972.db2.gz XLBHGMYTQULJKK-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)CC[C@H]1C[NH3+] 251332422 572556272 /nfs/dbraw/zinc/55/62/72/572556272.db2.gz LKCALEXUYKUJQZ-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@H+]1C1CC1 251332548 572558624 /nfs/dbraw/zinc/55/86/24/572558624.db2.gz OPCSVCJDEFQRST-YUSALJHKSA-N 2 1 194.322 1.467 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C 251278608 572556956 /nfs/dbraw/zinc/55/69/56/572556956.db2.gz CXBZNXRUTCQNAL-OUAUKWLOSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@H+]1C 251278608 572556962 /nfs/dbraw/zinc/55/69/62/572556962.db2.gz CXBZNXRUTCQNAL-OUAUKWLOSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)C[C@H]1CC[N@H+](C2(C[NH3+])CC2)C1 307809264 572557131 /nfs/dbraw/zinc/55/71/31/572557131.db2.gz INFCYBCIRXLBHI-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CC[C@@H]2C[N@H+]1C1CC1 251332547 572557302 /nfs/dbraw/zinc/55/73/02/572557302.db2.gz OPCSVCJDEFQRST-ADEWGFFLSA-N 2 1 194.322 1.467 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH+](CC)CC)[NH2+]C 87527458 572564325 /nfs/dbraw/zinc/56/43/25/572564325.db2.gz KKNBFYGSGMEGHM-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@](C[NH3+])(C1CC1)[NH+]1CCC1 308061587 572557732 /nfs/dbraw/zinc/55/77/32/572557732.db2.gz WPVNKBLZOFXULZ-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@@H+](C)CCC[C@@H](C)[NH3+] 45599299 572557707 /nfs/dbraw/zinc/55/77/07/572557707.db2.gz RUPQKSPPLBBBED-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[C@@](C[NH3+])(C1CC1)[NH+]1CCC1 308061598 572558345 /nfs/dbraw/zinc/55/83/45/572558345.db2.gz WPVNKBLZOFXULZ-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)C[C@@H]1CC[N@H+](C2(C[NH3+])CC2)C1 307809265 572558620 /nfs/dbraw/zinc/55/86/20/572558620.db2.gz INFCYBCIRXLBHI-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C 251278603 572559355 /nfs/dbraw/zinc/55/93/55/572559355.db2.gz CXBZNXRUTCQNAL-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@H+]1C 251278603 572559358 /nfs/dbraw/zinc/55/93/58/572559358.db2.gz CXBZNXRUTCQNAL-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2[NH3+])C1 53858570 572559536 /nfs/dbraw/zinc/55/95/36/572559536.db2.gz PGFXZEKMJOQKJJ-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([C@H]([NH3+])CC(F)(F)F)[NH+](C)C 74283844 572559564 /nfs/dbraw/zinc/55/95/64/572559564.db2.gz BICBVXBNMPUPMJ-NTSWFWBYSA-N 2 1 184.205 1.216 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45599622 572559618 /nfs/dbraw/zinc/55/96/18/572559618.db2.gz ADXUCJBPSHWGLP-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[C@H]1C[N@@H+](C)CC[C@H]1C[NH3+] 251332420 572560165 /nfs/dbraw/zinc/56/01/65/572560165.db2.gz LKCALEXUYKUJQZ-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H]([C@@H]([NH3+])CC(F)(F)F)[NH+](C)C 74283848 572560222 /nfs/dbraw/zinc/56/02/22/572560222.db2.gz BICBVXBNMPUPMJ-WDSKDSINSA-N 2 1 184.205 1.216 10 0 ADAEMP CC[N@@H+](C)CCC[C@H](C)[NH3+] 45599300 572560325 /nfs/dbraw/zinc/56/03/25/572560325.db2.gz RUPQKSPPLBBBED-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 53861504 572560359 /nfs/dbraw/zinc/56/03/59/572560359.db2.gz DNDKFCQEHZKYSD-SRVKXCTJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+]([C@H](C)C[NH3+])C1 307814084 572560411 /nfs/dbraw/zinc/56/04/11/572560411.db2.gz LHBYUAPIPJENDK-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]1CC[N@H+]([C@H](C)C[NH3+])C1 307814084 572560412 /nfs/dbraw/zinc/56/04/12/572560412.db2.gz LHBYUAPIPJENDK-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([C@H]([NH3+])CC(F)(F)F)[NH+](C)C 74283846 572560442 /nfs/dbraw/zinc/56/04/42/572560442.db2.gz BICBVXBNMPUPMJ-PHDIDXHHSA-N 2 1 184.205 1.216 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C[C@H](C)C[NH3+])C1 307814151 572560483 /nfs/dbraw/zinc/56/04/83/572560483.db2.gz LLHHMWAEDQJHRN-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 307814086 572560560 /nfs/dbraw/zinc/56/05/60/572560560.db2.gz LHBYUAPIPJENDK-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 307814086 572560562 /nfs/dbraw/zinc/56/05/62/572560562.db2.gz LHBYUAPIPJENDK-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[NH2+]C[C@@](C)(CC)[NH+](C)C 308062755 572560639 /nfs/dbraw/zinc/56/06/39/572560639.db2.gz XBDAEWQGFNWSNH-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H](C)C[NH3+])C1 307814150 572560836 /nfs/dbraw/zinc/56/08/36/572560836.db2.gz LLHHMWAEDQJHRN-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC=C(C)C)C[C@@H]1C 234475704 572560883 /nfs/dbraw/zinc/56/08/83/572560883.db2.gz CARNIIGKAOWNDP-RYUDHWBXSA-N 2 1 196.338 1.882 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 53861502 572561094 /nfs/dbraw/zinc/56/10/94/572561094.db2.gz DNDKFCQEHZKYSD-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]([C@@H]([NH3+])CC(F)(F)F)[NH+](C)C 74283851 572561388 /nfs/dbraw/zinc/56/13/88/572561388.db2.gz BICBVXBNMPUPMJ-RITPCOANSA-N 2 1 184.205 1.216 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 234479132 572561408 /nfs/dbraw/zinc/56/14/08/572561408.db2.gz QLROXUBNCHRCCQ-NNOMMRTBSA-N 2 1 182.311 1.492 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 234479132 572561413 /nfs/dbraw/zinc/56/14/13/572561413.db2.gz QLROXUBNCHRCCQ-NNOMMRTBSA-N 2 1 182.311 1.492 10 0 ADAEMP CCC[NH2+]C[C@](C)(CC)[NH+](C)C 308062754 572561553 /nfs/dbraw/zinc/56/15/53/572561553.db2.gz XBDAEWQGFNWSNH-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@H+]1C 251297882 572561606 /nfs/dbraw/zinc/56/16/06/572561606.db2.gz HLKPVDMOJJCQSG-GMTAPVOTSA-N 2 1 182.311 1.182 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C[C@@H](C)C[NH3+])C1 307814148 572561672 /nfs/dbraw/zinc/56/16/72/572561672.db2.gz LLHHMWAEDQJHRN-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 307814087 572561811 /nfs/dbraw/zinc/56/18/11/572561811.db2.gz LHBYUAPIPJENDK-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 307814087 572561814 /nfs/dbraw/zinc/56/18/14/572561814.db2.gz LHBYUAPIPJENDK-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H]1C[C@]1([NH3+])[C@H]1CCC[N@@H+](C)C1 251296867 572561864 /nfs/dbraw/zinc/56/18/64/572561864.db2.gz HFBJFZKHJCRBRS-SRVKXCTJSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C)CC[C@H]1[NH3+] 251296386 572562006 /nfs/dbraw/zinc/56/20/06/572562006.db2.gz GYRZLVCOABHQPA-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+]([C@H](C)C[NH3+])C1 307814083 572562092 /nfs/dbraw/zinc/56/20/92/572562092.db2.gz LHBYUAPIPJENDK-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CC[N@H+]([C@H](C)C[NH3+])C1 307814083 572562095 /nfs/dbraw/zinc/56/20/95/572562095.db2.gz LHBYUAPIPJENDK-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CCc1[nH+]ccn1CCC[C@@H](C)[NH3+] 45604649 572562132 /nfs/dbraw/zinc/56/21/32/572562132.db2.gz ILNXIZHLABZKCB-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C)CC[C@H]1[NH3+] 251296389 572562206 /nfs/dbraw/zinc/56/22/06/572562206.db2.gz GYRZLVCOABHQPA-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+][C@H](C[N@H+]1CC[C@H](C)C1)C(C)C 87529234 572562439 /nfs/dbraw/zinc/56/24/39/572562439.db2.gz DDAQLITVWGZQHO-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])CCOC 45602319 572562465 /nfs/dbraw/zinc/56/24/65/572562465.db2.gz KOXUZPFMSHZTEX-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[NH2+][C@H](C[NH+](CC)CC)C(C)C 87527465 572562471 /nfs/dbraw/zinc/56/24/71/572562471.db2.gz LBMUVIHOVQAZJZ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@@H](Cn1cc[nH+]c1C)C(C)C 87531204 572562868 /nfs/dbraw/zinc/56/28/68/572562868.db2.gz PTPILZVFBKSXBA-NSHDSACASA-N 2 1 195.310 1.826 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CC(C)C)C(C)C 87528422 572562885 /nfs/dbraw/zinc/56/28/85/572562885.db2.gz RSXKHGIYBHBGTQ-NSHDSACASA-N 2 1 186.343 1.818 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CC(C)C)C(C)C 87528422 572562891 /nfs/dbraw/zinc/56/28/91/572562891.db2.gz RSXKHGIYBHBGTQ-NSHDSACASA-N 2 1 186.343 1.818 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CC[C@H](C)C1)C(C)C 87529219 572562962 /nfs/dbraw/zinc/56/29/62/572562962.db2.gz WZFJIKIFTAWIEJ-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)[C@@H]1C[C@@]1([NH3+])[C@H]1CCC[N@@H+](C)C1 251296863 572562964 /nfs/dbraw/zinc/56/29/64/572562964.db2.gz HFBJFZKHJCRBRS-SDDRHHMPSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])Cn1cc[nH+]c1C 87531182 572562993 /nfs/dbraw/zinc/56/29/93/572562993.db2.gz OYFCOEAYYRAULI-WPRPVWTQSA-N 2 1 181.283 1.565 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])C(C)C 87531756 572563002 /nfs/dbraw/zinc/56/30/02/572563002.db2.gz KKWREYPNLGWCLX-SECBINFHSA-N 2 1 181.283 1.429 10 0 ADAEMP CCC[N@H+](CC)C[C@@H]([NH2+]C)C(C)C 87528278 572563055 /nfs/dbraw/zinc/56/30/55/572563055.db2.gz CEWUHQKKJGTGNG-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]([NH2+]C)C(C)C 87528278 572563056 /nfs/dbraw/zinc/56/30/56/572563056.db2.gz CEWUHQKKJGTGNG-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CC1CCC1)C(C)C 87529946 572563112 /nfs/dbraw/zinc/56/31/12/572563112.db2.gz INIFQOIQVCEMIB-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CC1CCC1)C(C)C 87529946 572563116 /nfs/dbraw/zinc/56/31/16/572563116.db2.gz INIFQOIQVCEMIB-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H](Cn1cc[nH+]c1C)C(C)C 87531206 572563020 /nfs/dbraw/zinc/56/30/20/572563020.db2.gz PTPILZVFBKSXBA-LLVKDONJSA-N 2 1 195.310 1.826 10 0 ADAEMP CCC[N@H+](C)C[C@H]([NH2+]CC)C(C)C 87528390 572563168 /nfs/dbraw/zinc/56/31/68/572563168.db2.gz XBNLXNFLKIATNL-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)C[C@H]([NH2+]CC)C(C)C 87528390 572563172 /nfs/dbraw/zinc/56/31/72/572563172.db2.gz XBNLXNFLKIATNL-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C)[C@H](C[N@H+](C)C(C)C)[NH2+]C 87527728 572563180 /nfs/dbraw/zinc/56/31/80/572563180.db2.gz YMIJHZPENBDRGX-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[C@H](C[N@@H+](C)C(C)C)[NH2+]C 87527728 572563185 /nfs/dbraw/zinc/56/31/85/572563185.db2.gz YMIJHZPENBDRGX-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])Cn1c[nH+]c(C)c1C 87531815 572563193 /nfs/dbraw/zinc/56/31/93/572563193.db2.gz TULDCCHKCHPICX-GZMMTYOYSA-N 2 1 195.310 1.873 10 0 ADAEMP CC[NH2+][C@@H](C[N@H+](C)CC1CC1)C(C)C 87529179 572563216 /nfs/dbraw/zinc/56/32/16/572563216.db2.gz SUMMHVWQIZMPPO-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@@H](C[N@@H+](C)CC1CC1)C(C)C 87529179 572563221 /nfs/dbraw/zinc/56/32/21/572563221.db2.gz SUMMHVWQIZMPPO-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[C@H](Cn1cc[nH+]c1C)[NH2+]C 87531199 572563267 /nfs/dbraw/zinc/56/32/67/572563267.db2.gz DRNYWLNLBPYICW-KOLCDFICSA-N 2 1 195.310 1.826 10 0 ADAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C)C(C)C 87531192 572563309 /nfs/dbraw/zinc/56/33/09/572563309.db2.gz DWOZIHAAENKPKN-JTQLQIEISA-N 2 1 181.283 1.436 10 0 ADAEMP CC(C)[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@H+]1C 251297887 572563322 /nfs/dbraw/zinc/56/33/22/572563322.db2.gz HLKPVDMOJJCQSG-OUAUKWLOSA-N 2 1 182.311 1.182 10 0 ADAEMP CCCc1[nH+]ccn1C[C@@H]([NH3+])C(C)C 87532248 572563370 /nfs/dbraw/zinc/56/33/70/572563370.db2.gz HJADQNUOISYEOC-SNVBAGLBSA-N 2 1 195.310 1.819 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)C(C)C 87530754 572563381 /nfs/dbraw/zinc/56/33/81/572563381.db2.gz VPFDMTZXJIKEOP-TUAOUCFPSA-N 2 1 198.354 1.818 10 0 ADAEMP CC[NH2+][C@@H](C[N@H+]1CC[C@H](C)C1)C(C)C 87529230 572563438 /nfs/dbraw/zinc/56/34/38/572563438.db2.gz DDAQLITVWGZQHO-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+](C)C2CC2)C1 53865387 572563486 /nfs/dbraw/zinc/56/34/86/572563486.db2.gz BHMXCJDYAIWOHZ-SCVCMEIPSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])Cn1cc[nH+]c1C 87531179 572563569 /nfs/dbraw/zinc/56/35/69/572563569.db2.gz OYFCOEAYYRAULI-WCBMZHEXSA-N 2 1 181.283 1.565 10 0 ADAEMP CC[C@H](C)[C@H](Cn1cc[nH+]c1C)[NH2+]C 87531202 572563613 /nfs/dbraw/zinc/56/36/13/572563613.db2.gz DRNYWLNLBPYICW-ONGXEEELSA-N 2 1 195.310 1.826 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H](C[N@@H+](C)C2CC2)C1 53865391 572563622 /nfs/dbraw/zinc/56/36/22/572563622.db2.gz BHMXCJDYAIWOHZ-JFGNBEQYSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@H+](C)C[C@@H]([NH2+]C)[C@@H](C)CC 87528385 572563670 /nfs/dbraw/zinc/56/36/70/572563670.db2.gz XNDZIPUHPPIKEV-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]([NH2+]C)[C@@H](C)CC 87528385 572563674 /nfs/dbraw/zinc/56/36/74/572563674.db2.gz XNDZIPUHPPIKEV-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@H+](C)C[C@H]([NH2+]C)C(C)C 87528379 572563704 /nfs/dbraw/zinc/56/37/04/572563704.db2.gz XQHZOWWNGLAIPA-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP CCC[N@@H+](C)C[C@H]([NH2+]C)C(C)C 87528379 572563710 /nfs/dbraw/zinc/56/37/10/572563710.db2.gz XQHZOWWNGLAIPA-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH3+] 251302500 572563714 /nfs/dbraw/zinc/56/37/14/572563714.db2.gz HSAAACOKJQCYPW-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH3+] 251302510 572563776 /nfs/dbraw/zinc/56/37/76/572563776.db2.gz HSAAACOKJQCYPW-OPRDCNLKSA-N 2 1 170.300 1.454 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH2+]C)C(C)C 87531749 572563877 /nfs/dbraw/zinc/56/38/77/572563877.db2.gz MPHHLDJTHZNJGZ-JTQLQIEISA-N 2 1 195.310 1.690 10 0 ADAEMP CC[C@@H](C)[C@@H](C[N@H+](C)C(C)C)[NH2+]C 87527721 572563975 /nfs/dbraw/zinc/56/39/75/572563975.db2.gz YMIJHZPENBDRGX-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C)[C@@H](C[N@@H+](C)C(C)C)[NH2+]C 87527721 572563980 /nfs/dbraw/zinc/56/39/80/572563980.db2.gz YMIJHZPENBDRGX-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])Cn1c[nH+]c(C)c1C 87531818 572563990 /nfs/dbraw/zinc/56/39/90/572563990.db2.gz TULDCCHKCHPICX-KCJUWKMLSA-N 2 1 195.310 1.873 10 0 ADAEMP CC[C@H](C)[C@H](C[N@H+](C)CC1CC1)[NH2+]C 87529176 572564008 /nfs/dbraw/zinc/56/40/08/572564008.db2.gz VYAHRTWJBOYDLN-JQWIXIFHSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[N@H+](C)C[C@H]([NH2+]C)C(C)C 87528473 572563908 /nfs/dbraw/zinc/56/39/08/572563908.db2.gz VNNNXDWETDSKSF-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@H]([NH2+]C)C(C)C 87528473 572563912 /nfs/dbraw/zinc/56/39/12/572563912.db2.gz VNNNXDWETDSKSF-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[C@H](C[N@@H+](C)CC1CC1)[NH2+]C 87529176 572564011 /nfs/dbraw/zinc/56/40/11/572564011.db2.gz VYAHRTWJBOYDLN-JQWIXIFHSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CC(C)C)C(C)C 87528426 572564026 /nfs/dbraw/zinc/56/40/26/572564026.db2.gz RSXKHGIYBHBGTQ-LLVKDONJSA-N 2 1 186.343 1.818 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CC(C)C)C(C)C 87528426 572564033 /nfs/dbraw/zinc/56/40/33/572564033.db2.gz RSXKHGIYBHBGTQ-LLVKDONJSA-N 2 1 186.343 1.818 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])Cn1cc[nH+]c1C 87531180 572564038 /nfs/dbraw/zinc/56/40/38/572564038.db2.gz OYFCOEAYYRAULI-SCZZXKLOSA-N 2 1 181.283 1.565 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH3+] 251302505 572564045 /nfs/dbraw/zinc/56/40/45/572564045.db2.gz HSAAACOKJQCYPW-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH2+]C)C(C)C 87531751 572564077 /nfs/dbraw/zinc/56/40/77/572564077.db2.gz MPHHLDJTHZNJGZ-SNVBAGLBSA-N 2 1 195.310 1.690 10 0 ADAEMP CC[C@H](C)[C@H](C[NH+](CC)CC)[NH2+]C 87527461 572564104 /nfs/dbraw/zinc/56/41/04/572564104.db2.gz KKNBFYGSGMEGHM-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@@H](Cn1c[nH+]c(C)c1C)C(C)C 87531821 572564171 /nfs/dbraw/zinc/56/41/71/572564171.db2.gz BVRZAUNNZJLJAM-NSHDSACASA-N 2 1 195.310 1.744 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CC1CCC1)C(C)C 87529951 572564201 /nfs/dbraw/zinc/56/42/01/572564201.db2.gz INIFQOIQVCEMIB-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CC1CCC1)C(C)C 87529951 572564204 /nfs/dbraw/zinc/56/42/04/572564204.db2.gz INIFQOIQVCEMIB-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]([NH2+]C)C(C)C 87527923 572564408 /nfs/dbraw/zinc/56/44/08/572564408.db2.gz ANIRJMPQXLJNMY-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC(C)c1[nH+]ccn1C[C@@H]([NH3+])C(C)C 87531340 572564233 /nfs/dbraw/zinc/56/42/33/572564233.db2.gz WBVIYSPGJTWMNJ-SNVBAGLBSA-N 2 1 195.310 1.990 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCC(C)(C)C1)C(C)C 87530830 572564280 /nfs/dbraw/zinc/56/42/80/572564280.db2.gz ONALPABDBRSWCN-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C[NH+]1CCC(C)CC1)C(C)C 87527360 572564297 /nfs/dbraw/zinc/56/42/97/572564297.db2.gz VJTZJOKNYXTEFO-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[C@H](C[N@H+](C)CC1CC1)[NH2+]C 87529174 572564310 /nfs/dbraw/zinc/56/43/10/572564310.db2.gz VYAHRTWJBOYDLN-PWSUYJOCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[C@H](C[N@@H+](C)CC1CC1)[NH2+]C 87529174 572564312 /nfs/dbraw/zinc/56/43/12/572564312.db2.gz VYAHRTWJBOYDLN-PWSUYJOCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CC1CC1)C(C)C 87529162 572564338 /nfs/dbraw/zinc/56/43/38/572564338.db2.gz LDPHZTJDOLQZMA-NSHDSACASA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CC1CC1)C(C)C 87529162 572564341 /nfs/dbraw/zinc/56/43/41/572564341.db2.gz LDPHZTJDOLQZMA-NSHDSACASA-N 2 1 184.327 1.572 10 0 ADAEMP CCC[N@H+](CC)C[C@H]([NH2+]C)C(C)C 87528275 572564347 /nfs/dbraw/zinc/56/43/47/572564347.db2.gz CEWUHQKKJGTGNG-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]([NH2+]C)C(C)C 87528275 572564350 /nfs/dbraw/zinc/56/43/50/572564350.db2.gz CEWUHQKKJGTGNG-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])Cn1cc[nH+]c1C 87531176 572564357 /nfs/dbraw/zinc/56/43/57/572564357.db2.gz OYFCOEAYYRAULI-PSASIEDQSA-N 2 1 181.283 1.565 10 0 ADAEMP CCCC[N@H+](C)C[C@H]([NH2+]C)C(C)C 87527923 572564404 /nfs/dbraw/zinc/56/44/04/572564404.db2.gz ANIRJMPQXLJNMY-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H]([NH3+])C(C)C 87532246 572564417 /nfs/dbraw/zinc/56/44/17/572564417.db2.gz HJADQNUOISYEOC-JTQLQIEISA-N 2 1 195.310 1.819 10 0 ADAEMP CC[NH2+][C@H](C[N@H+](C)C(C)C)C(C)C 87527733 572564445 /nfs/dbraw/zinc/56/44/45/572564445.db2.gz UOVMSWBAPPWILT-LLVKDONJSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+][C@H](C[N@@H+](C)C(C)C)C(C)C 87527733 572564447 /nfs/dbraw/zinc/56/44/47/572564447.db2.gz UOVMSWBAPPWILT-LLVKDONJSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[C@@H](C[N@H+](C)CC1CC1)[NH2+]C 87529168 572564498 /nfs/dbraw/zinc/56/44/98/572564498.db2.gz VYAHRTWJBOYDLN-CMPLNLGQSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[C@@H](C[N@@H+](C)CC1CC1)[NH2+]C 87529168 572564502 /nfs/dbraw/zinc/56/45/02/572564502.db2.gz VYAHRTWJBOYDLN-CMPLNLGQSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@H+](C[C@@H]([NH2+]C)C(C)C)C(C)C 87528178 572564516 /nfs/dbraw/zinc/56/45/16/572564516.db2.gz NGFKTHSWXNKQBY-LLVKDONJSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[N@@H+](C[C@@H]([NH2+]C)C(C)C)C(C)C 87528178 572564518 /nfs/dbraw/zinc/56/45/18/572564518.db2.gz NGFKTHSWXNKQBY-LLVKDONJSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C)[C@H](C[N@H+](C)C(C)C)[NH2+]C 87527726 572564566 /nfs/dbraw/zinc/56/45/66/572564566.db2.gz YMIJHZPENBDRGX-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C)[C@H](C[N@@H+](C)C(C)C)[NH2+]C 87527726 572564571 /nfs/dbraw/zinc/56/45/71/572564571.db2.gz YMIJHZPENBDRGX-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CC[C@@H](C)C1)C(C)C 87529216 572564672 /nfs/dbraw/zinc/56/46/72/572564672.db2.gz WZFJIKIFTAWIEJ-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H](C)C1)[NH2+]C 87529227 572564691 /nfs/dbraw/zinc/56/46/91/572564691.db2.gz GTZDHINIIAEINI-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@H+](C)C[C@@H]([NH2+]C)C(C)C 87527925 572564703 /nfs/dbraw/zinc/56/47/03/572564703.db2.gz ANIRJMPQXLJNMY-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]([NH2+]C)C(C)C 87527925 572564705 /nfs/dbraw/zinc/56/47/05/572564705.db2.gz ANIRJMPQXLJNMY-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@H](Cn1c[nH+]c(C)c1C)C(C)C 87531824 572564748 /nfs/dbraw/zinc/56/47/48/572564748.db2.gz BVRZAUNNZJLJAM-LLVKDONJSA-N 2 1 195.310 1.744 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251370153 572564765 /nfs/dbraw/zinc/56/47/65/572564765.db2.gz FXUWYAFQBKJXOG-QWRGUYRKSA-N 2 1 184.327 1.559 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)C[C@@H]1C[C@@H]1C)C(C)C 87530434 572564788 /nfs/dbraw/zinc/56/47/88/572564788.db2.gz DHVWHYUIXPCDOL-SRVKXCTJSA-N 2 1 198.354 1.818 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)C[C@@H]1C[C@@H]1C)C(C)C 87530434 572564793 /nfs/dbraw/zinc/56/47/93/572564793.db2.gz DHVWHYUIXPCDOL-SRVKXCTJSA-N 2 1 198.354 1.818 10 0 ADAEMP CC[N@H+](C[C@H]([NH2+]C)C(C)C)C(C)C 87528176 572564800 /nfs/dbraw/zinc/56/48/00/572564800.db2.gz NGFKTHSWXNKQBY-NSHDSACASA-N 2 1 186.343 1.961 10 0 ADAEMP CC[N@@H+](C[C@H]([NH2+]C)C(C)C)C(C)C 87528176 572564806 /nfs/dbraw/zinc/56/48/06/572564806.db2.gz NGFKTHSWXNKQBY-NSHDSACASA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@H+]1C 251356338 572564811 /nfs/dbraw/zinc/56/48/11/572564811.db2.gz CKNLQHAJJIKVGY-IJLUTSLNSA-N 2 1 196.338 1.572 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)C(C)C)C(C)C 87527714 572564853 /nfs/dbraw/zinc/56/48/53/572564853.db2.gz HQYSMIZAZJTNCU-SNVBAGLBSA-N 2 1 172.316 1.571 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)C(C)C)C(C)C 87527714 572564856 /nfs/dbraw/zinc/56/48/56/572564856.db2.gz HQYSMIZAZJTNCU-SNVBAGLBSA-N 2 1 172.316 1.571 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])Cn1c[nH+]c(C)c1C 87531819 572564916 /nfs/dbraw/zinc/56/49/16/572564916.db2.gz TULDCCHKCHPICX-KWQFWETISA-N 2 1 195.310 1.873 10 0 ADAEMP C[NH2+][C@@H](C[NH+]1CCC(C)CC1)C(C)C 87527358 572564997 /nfs/dbraw/zinc/56/49/97/572564997.db2.gz VJTZJOKNYXTEFO-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])[C@H](C)CC 87531747 572565018 /nfs/dbraw/zinc/56/50/18/572565018.db2.gz ZWRGHFJYZDZQKJ-NXEZZACHSA-N 2 1 195.310 1.819 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@@H]1[NH3+])C1CCCC1 53865746 572565145 /nfs/dbraw/zinc/56/51/45/572565145.db2.gz RMXSKDFASZRAKY-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@H+](C)C[C@@H]([NH2+]CC)C(C)C 87528393 572565212 /nfs/dbraw/zinc/56/52/12/572565212.db2.gz XBNLXNFLKIATNL-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]([NH2+]CC)C(C)C 87528393 572565216 /nfs/dbraw/zinc/56/52/16/572565216.db2.gz XBNLXNFLKIATNL-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C)[C@@H](Cn1cc[nH+]c1C)[NH2+]C 87531197 572565265 /nfs/dbraw/zinc/56/52/65/572565265.db2.gz DRNYWLNLBPYICW-GXSJLCMTSA-N 2 1 195.310 1.826 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 53861942 572565331 /nfs/dbraw/zinc/56/53/31/572565331.db2.gz SVMUEPDSVOVIJK-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CC1CC1)C(C)C 87529159 572566395 /nfs/dbraw/zinc/56/63/95/572566395.db2.gz LDPHZTJDOLQZMA-LLVKDONJSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@H](C)[C@@H](C[N@H+](C)C(C)C)[NH2+]C 87527724 572565377 /nfs/dbraw/zinc/56/53/77/572565377.db2.gz YMIJHZPENBDRGX-WDEREUQCSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[C@@H](C[N@@H+](C)C(C)C)[NH2+]C 87527724 572565381 /nfs/dbraw/zinc/56/53/81/572565381.db2.gz YMIJHZPENBDRGX-WDEREUQCSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C)[C@@H](C[N@H+](C)CC1CC1)[NH2+]C 87529165 572565437 /nfs/dbraw/zinc/56/54/37/572565437.db2.gz VYAHRTWJBOYDLN-ZYHUDNBSSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[C@@H](C[N@@H+](C)CC1CC1)[NH2+]C 87529165 572565441 /nfs/dbraw/zinc/56/54/41/572565441.db2.gz VYAHRTWJBOYDLN-ZYHUDNBSSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)C(C)C)C(C)C 87527717 572565612 /nfs/dbraw/zinc/56/56/12/572565612.db2.gz HQYSMIZAZJTNCU-JTQLQIEISA-N 2 1 172.316 1.571 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)[C@H]1CC[NH3+] 251374085 572565477 /nfs/dbraw/zinc/56/54/77/572565477.db2.gz GMPSNAXXJJCLEM-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 53865173 572565500 /nfs/dbraw/zinc/56/55/00/572565500.db2.gz UTAIEUWCNMINIX-VWYCJHECSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)C(C)C)C(C)C 87527717 572565617 /nfs/dbraw/zinc/56/56/17/572565617.db2.gz HQYSMIZAZJTNCU-JTQLQIEISA-N 2 1 172.316 1.571 10 0 ADAEMP CC(C)c1[nH+]ccn1C[C@H]([NH3+])C(C)C 87531338 572565533 /nfs/dbraw/zinc/56/55/33/572565533.db2.gz WBVIYSPGJTWMNJ-JTQLQIEISA-N 2 1 195.310 1.990 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCC[C@@H]1C)C(C)C 87529086 572565638 /nfs/dbraw/zinc/56/56/38/572565638.db2.gz WOYGMVPWTQARDJ-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH3+])[C@@H](C)CC 87531741 572565671 /nfs/dbraw/zinc/56/56/71/572565671.db2.gz ZWRGHFJYZDZQKJ-UWVGGRQHSA-N 2 1 195.310 1.819 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 69726823 572566704 /nfs/dbraw/zinc/56/67/04/572566704.db2.gz SUPTZIIUSYXPOX-SEUFLZDSSA-N 2 1 182.311 1.622 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 69726823 572566706 /nfs/dbraw/zinc/56/67/06/572566706.db2.gz SUPTZIIUSYXPOX-SEUFLZDSSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)CC[C@H]1[NH3+] 251350131 572565739 /nfs/dbraw/zinc/56/57/39/572565739.db2.gz BGTQKXKHUOLZLY-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[NH2+][C@@H](C[NH+](CC)CC)C(C)C 87527463 572565796 /nfs/dbraw/zinc/56/57/96/572565796.db2.gz LBMUVIHOVQAZJZ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@H+](C)C[C@H]([NH2+]C)[C@@H](C)CC 87528383 572565814 /nfs/dbraw/zinc/56/58/14/572565814.db2.gz XNDZIPUHPPIKEV-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)C[C@H]([NH2+]C)[C@@H](C)CC 87528383 572565815 /nfs/dbraw/zinc/56/58/15/572565815.db2.gz XNDZIPUHPPIKEV-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH3+])C(C)C 87531753 572565776 /nfs/dbraw/zinc/56/57/76/572565776.db2.gz KKWREYPNLGWCLX-VIFPVBQESA-N 2 1 181.283 1.429 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C 251352728 572566727 /nfs/dbraw/zinc/56/67/27/572566727.db2.gz BWAACBSRRKULSZ-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@H](C[NH3+])C[C@H]2C1 251542972 572565919 /nfs/dbraw/zinc/56/59/19/572565919.db2.gz BOQRQONZSVHSHG-DDHJBXDOSA-N 2 1 196.338 1.702 10 0 ADAEMP C[NH2+][C@H](C[N@H+]1CCC(C)(C)C1)C(C)C 87530828 572565936 /nfs/dbraw/zinc/56/59/36/572565936.db2.gz ONALPABDBRSWCN-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53865815 572565956 /nfs/dbraw/zinc/56/59/56/572565956.db2.gz YYYOEOOADGFIAK-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H](C)[C@@H](Cn1cc[nH+]c1C)[NH2+]C 87531195 572566010 /nfs/dbraw/zinc/56/60/10/572566010.db2.gz DRNYWLNLBPYICW-MWLCHTKSSA-N 2 1 195.310 1.826 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@H+]1C 251352728 572566730 /nfs/dbraw/zinc/56/67/30/572566730.db2.gz BWAACBSRRKULSZ-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]([NH3+])[C@@H](C)CC 87531743 572566061 /nfs/dbraw/zinc/56/60/61/572566061.db2.gz ZWRGHFJYZDZQKJ-VHSXEESVSA-N 2 1 195.310 1.819 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH+](CC)CC)[NH2+]C 87527460 572566079 /nfs/dbraw/zinc/56/60/79/572566079.db2.gz KKNBFYGSGMEGHM-MNOVXSKESA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C)[N@H+](C)C[C@H]([NH2+]C)C(C)C 87528475 572566091 /nfs/dbraw/zinc/56/60/91/572566091.db2.gz VNNNXDWETDSKSF-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@H]([NH2+]C)C(C)C 87528475 572566093 /nfs/dbraw/zinc/56/60/93/572566093.db2.gz VNNNXDWETDSKSF-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@H+]1C 251356336 572566101 /nfs/dbraw/zinc/56/61/01/572566101.db2.gz CKNLQHAJJIKVGY-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 53862398 572566115 /nfs/dbraw/zinc/56/61/15/572566115.db2.gz QXFIJIUIRLGPES-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH3+])[C@H](C)CC 87531745 572566157 /nfs/dbraw/zinc/56/61/57/572566157.db2.gz ZWRGHFJYZDZQKJ-ZJUUUORDSA-N 2 1 195.310 1.819 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53862396 572566201 /nfs/dbraw/zinc/56/62/01/572566201.db2.gz QXFIJIUIRLGPES-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@H]1C[N@@H+](C)CC[C@H]1C[NH3+] 251348265 572566298 /nfs/dbraw/zinc/56/62/98/572566298.db2.gz AYYPLYIMRGDFRB-QWRGUYRKSA-N 2 1 184.327 1.559 10 0 ADAEMP CCC[N@H+](C)C[C@@H]([NH2+]C)C(C)C 87528380 572566295 /nfs/dbraw/zinc/56/62/95/572566295.db2.gz XQHZOWWNGLAIPA-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]([NH2+]C)C(C)C 87528380 572566301 /nfs/dbraw/zinc/56/63/01/572566301.db2.gz XQHZOWWNGLAIPA-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@@H]1[NH3+])C1CCCC1 53865745 572566311 /nfs/dbraw/zinc/56/63/11/572566311.db2.gz RMXSKDFASZRAKY-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H](C[N@H+]1CCC[C@H]1C)C(C)C 87529083 572566331 /nfs/dbraw/zinc/56/63/31/572566331.db2.gz WOYGMVPWTQARDJ-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CC1CC1)C(C)C 87529159 572566390 /nfs/dbraw/zinc/56/63/90/572566390.db2.gz LDPHZTJDOLQZMA-LLVKDONJSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CC[C@@H]2C[N@@H+]1C 251345582 572566472 /nfs/dbraw/zinc/56/64/72/572566472.db2.gz ALSVUMGAWLINTI-MXWKQRLJSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CC[C@@H]2C[N@H+]1C 251345582 572566476 /nfs/dbraw/zinc/56/64/76/572566476.db2.gz ALSVUMGAWLINTI-MXWKQRLJSA-N 2 1 182.311 1.325 10 0 ADAEMP C/C=C/C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69729331 572566528 /nfs/dbraw/zinc/56/65/28/572566528.db2.gz DFGWDZBNOMMOSS-SEUFLZDSSA-N 2 1 182.311 1.622 10 0 ADAEMP C/C=C/C[N@@H+]1[C@@H](C)CCC[C@@H]1C[NH3+] 69723265 572566623 /nfs/dbraw/zinc/56/66/23/572566623.db2.gz VJXPRPJYDZEARY-MJKAUQOVSA-N 2 1 182.311 1.764 10 0 ADAEMP C/C=C/C[N@H+]1[C@@H](C)CCC[C@@H]1C[NH3+] 69723265 572566626 /nfs/dbraw/zinc/56/66/26/572566626.db2.gz VJXPRPJYDZEARY-MJKAUQOVSA-N 2 1 182.311 1.764 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C)C[C@H]1C[NH3+] 251348350 572566667 /nfs/dbraw/zinc/56/66/67/572566667.db2.gz NJLPPBOUCYVQFX-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 69727544 572566829 /nfs/dbraw/zinc/56/68/29/572566829.db2.gz QXTQZKFOVPPHPZ-OUAUKWLOSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]1C[N@@H+](C)CCC[C@H]1[NH3+] 251375302 572566849 /nfs/dbraw/zinc/56/68/49/572566849.db2.gz GTIZTBPOIFMUAM-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)[C@H]1CCC[NH3+] 251356419 572566919 /nfs/dbraw/zinc/56/69/19/572566919.db2.gz CLXWOXUIGRMDOQ-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C)C[C@H]1C[NH3+] 251346778 572566954 /nfs/dbraw/zinc/56/69/54/572566954.db2.gz AREOQVGEEBDRQT-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP C[NH2+]CCCCC[C@@H]1CCC[N@H+]1C 238333294 572567033 /nfs/dbraw/zinc/56/70/33/572567033.db2.gz IWSWCYQCRUHLSM-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 69726827 572567145 /nfs/dbraw/zinc/56/71/45/572567145.db2.gz SUPTZIIUSYXPOX-YHROSDCASA-N 2 1 182.311 1.622 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 69726827 572567149 /nfs/dbraw/zinc/56/71/49/572567149.db2.gz SUPTZIIUSYXPOX-YHROSDCASA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C1CC1 251341086 572567183 /nfs/dbraw/zinc/56/71/83/572567183.db2.gz QDNJKEGXJXHCNQ-MVWJERBFSA-N 2 1 194.322 1.325 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)[C@H]1CCC[NH3+] 251356423 572567257 /nfs/dbraw/zinc/56/72/57/572567257.db2.gz CLXWOXUIGRMDOQ-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)CC[C@H]1[NH3+] 251350132 572567511 /nfs/dbraw/zinc/56/75/11/572567511.db2.gz BGTQKXKHUOLZLY-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 69727863 572567554 /nfs/dbraw/zinc/56/75/54/572567554.db2.gz UPZHAHUFWRRYII-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+][C@H]1CCSC1 308065357 572567698 /nfs/dbraw/zinc/56/76/98/572567698.db2.gz YJKKGWLFGVLMKE-QMMMGPOBSA-N 2 1 188.340 1.080 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)[C@H]1CC[NH3+] 251374086 572568599 /nfs/dbraw/zinc/56/85/99/572568599.db2.gz GMPSNAXXJJCLEM-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@@H+]1C 251345578 572568068 /nfs/dbraw/zinc/56/80/68/572568068.db2.gz ALSVUMGAWLINTI-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@H+]1C 251345578 572568070 /nfs/dbraw/zinc/56/80/70/572568070.db2.gz ALSVUMGAWLINTI-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[C@H]1C[N@@H+](C)CCC[C@H]1[NH3+] 251375301 572568182 /nfs/dbraw/zinc/56/81/82/572568182.db2.gz GTIZTBPOIFMUAM-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251370155 572568241 /nfs/dbraw/zinc/56/82/41/572568241.db2.gz FXUWYAFQBKJXOG-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)[C@H]1C[N@@H+](C)CC[C@H]1C[NH3+] 251342938 572568281 /nfs/dbraw/zinc/56/82/81/572568281.db2.gz ACMAJBYKTBWHQT-VHSXEESVSA-N 2 1 170.300 1.169 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]2CCCC[C@@H]12 251538223 572568415 /nfs/dbraw/zinc/56/84/15/572568415.db2.gz KSRGLYBEVIFBPV-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C)C[C@H]1C[NH3+] 251348352 572568513 /nfs/dbraw/zinc/56/85/13/572568513.db2.gz NJLPPBOUCYVQFX-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 69729334 572568532 /nfs/dbraw/zinc/56/85/32/572568532.db2.gz DFGWDZBNOMMOSS-MJKAUQOVSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C 251352725 572568767 /nfs/dbraw/zinc/56/87/67/572568767.db2.gz BWAACBSRRKULSZ-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@H+]1C 251352725 572568770 /nfs/dbraw/zinc/56/87/70/572568770.db2.gz BWAACBSRRKULSZ-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@@H](C[NH3+])C[C@H]2C1 251542990 572568857 /nfs/dbraw/zinc/56/88/57/572568857.db2.gz BOQRQONZSVHSHG-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C(C)C)C[C@H]1[NH3+] 251343677 572568938 /nfs/dbraw/zinc/56/89/38/572568938.db2.gz MPJXRMNDHMCMKO-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@H]1CC[N@H+](C(C)C)C[C@H]1[NH3+] 251343677 572568941 /nfs/dbraw/zinc/56/89/41/572568941.db2.gz MPJXRMNDHMCMKO-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C(C)C)C[C@H]1[NH3+] 251343673 572568958 /nfs/dbraw/zinc/56/89/58/572568958.db2.gz MPJXRMNDHMCMKO-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@@H]1CC[N@H+](C(C)C)C[C@H]1[NH3+] 251343673 572568962 /nfs/dbraw/zinc/56/89/62/572568962.db2.gz MPJXRMNDHMCMKO-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+][C@@H]1CCSC1 308065353 572569064 /nfs/dbraw/zinc/56/90/64/572569064.db2.gz YJKKGWLFGVLMKE-MRVPVSSYSA-N 2 1 188.340 1.080 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 69727547 572569527 /nfs/dbraw/zinc/56/95/27/572569527.db2.gz QXTQZKFOVPPHPZ-VWYCJHECSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1C1CC1 251341088 572569547 /nfs/dbraw/zinc/56/95/47/572569547.db2.gz QDNJKEGXJXHCNQ-ZMLRMANQSA-N 2 1 194.322 1.325 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CCCC[C@@H]1CC[NH3+] 69720607 572569704 /nfs/dbraw/zinc/56/97/04/572569704.db2.gz JLODAZDHRMSTBC-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C1 251542980 572569848 /nfs/dbraw/zinc/56/98/48/572569848.db2.gz BOQRQONZSVHSHG-NOOOWODRSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[C@@H]1C[N@@H+](C)CC[C@H]1C[NH3+] 251348267 572569893 /nfs/dbraw/zinc/56/98/93/572569893.db2.gz AYYPLYIMRGDFRB-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+]2CCCC[C@@H]12 251538217 572570075 /nfs/dbraw/zinc/57/00/75/572570075.db2.gz KSRGLYBEVIFBPV-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@H]1C[NH2+][C@@H]2CCC[C@H]2C[N@H+]1C 251423729 572570701 /nfs/dbraw/zinc/57/07/01/572570701.db2.gz QMCCHWRSSPUCGY-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H]1C[N@H+]2CCCC[C@H]2CC[NH2+]1 251419397 572570743 /nfs/dbraw/zinc/57/07/43/572570743.db2.gz PLSUYAONUJBEPX-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C)CC[C@H]1[NH3+] 251383859 572570945 /nfs/dbraw/zinc/57/09/45/572570945.db2.gz IESPJRXWHYPHMX-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H]1C[NH2+]CC[N@H+]2CCC[C@@H]12 251386769 572570979 /nfs/dbraw/zinc/57/09/79/572570979.db2.gz IVWOYOHYGBQWRE-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP CCc1[nH+]c(C)cn1[C@@H]1CC[C@H]1C[NH3+] 714502924 572571156 /nfs/dbraw/zinc/57/11/56/572571156.db2.gz ASKYCEDMGVZJHD-VHSXEESVSA-N 2 1 193.294 1.664 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C)CC[C@H]1[NH3+] 251383858 572571383 /nfs/dbraw/zinc/57/13/83/572571383.db2.gz IESPJRXWHYPHMX-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CCC[N@H+](C)C[C@H]1[NH3+] 251428884 572571392 /nfs/dbraw/zinc/57/13/92/572571392.db2.gz RMEXXTPVJQOAAI-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 251428884 572571396 /nfs/dbraw/zinc/57/13/96/572571396.db2.gz RMEXXTPVJQOAAI-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)CC[C@H]1C[N@@H+](C)CC[C@H]1[NH3+] 251421199 572571505 /nfs/dbraw/zinc/57/15/05/572571505.db2.gz PXQLWIUMKZGJPN-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1[NH3+] 251386699 572571564 /nfs/dbraw/zinc/57/15/64/572571564.db2.gz IVDJCKYFEWBVHD-WDEREUQCSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+](C(C)C)C[C@H]1[NH3+] 251386699 572571566 /nfs/dbraw/zinc/57/15/66/572571566.db2.gz IVDJCKYFEWBVHD-WDEREUQCSA-N 2 1 184.327 1.700 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1CC[C@@H](CC(C)C)C1 307830309 572571573 /nfs/dbraw/zinc/57/15/73/572571573.db2.gz JBZAYMREIPYJSB-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1CC[C@@H](CC(C)C)C1 307830309 572571578 /nfs/dbraw/zinc/57/15/78/572571578.db2.gz JBZAYMREIPYJSB-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H]1CCC[N@H+](C)C[C@H]1[NH3+] 251409802 572571846 /nfs/dbraw/zinc/57/18/46/572571846.db2.gz WVPHRTDFKAJJSY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 251409802 572571849 /nfs/dbraw/zinc/57/18/49/572571849.db2.gz WVPHRTDFKAJJSY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C(C)C)C[C@H]1[NH3+] 251386695 572571911 /nfs/dbraw/zinc/57/19/11/572571911.db2.gz IVDJCKYFEWBVHD-GHMZBOCLSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H]1CC[N@H+](C(C)C)C[C@H]1[NH3+] 251386695 572571913 /nfs/dbraw/zinc/57/19/13/572571913.db2.gz IVDJCKYFEWBVHD-GHMZBOCLSA-N 2 1 184.327 1.700 10 0 ADAEMP C[NH2+][C@@H](C)C(C)(C)C[N@H+]1CC[C@H](C)C1 251543845 572572146 /nfs/dbraw/zinc/57/21/46/572572146.db2.gz BQGMKLNMOVEEPN-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCSC[C@@H]1C 69760697 572572347 /nfs/dbraw/zinc/57/23/47/572572347.db2.gz ACGHZOCIAAEXHP-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCSC[C@H]1C 69760696 572572393 /nfs/dbraw/zinc/57/23/93/572572393.db2.gz ACGHZOCIAAEXHP-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C)C[C@H]1C[NH3+] 251381394 572572409 /nfs/dbraw/zinc/57/24/09/572572409.db2.gz HQDJBQBNUSQNLZ-NXEZZACHSA-N 2 1 170.300 1.169 10 0 ADAEMP CC(C)C[C@@H]1C[N@@H+](C)C[C@H]1C[NH3+] 251408914 572572493 /nfs/dbraw/zinc/57/24/93/572572493.db2.gz NJMAASSLFLSRKI-NXEZZACHSA-N 2 1 170.300 1.169 10 0 ADAEMP CC(C)[C@@H]1C[NH2+]CC[N@H+]2CCC[C@@H]12 251386773 572572607 /nfs/dbraw/zinc/57/26/07/572572607.db2.gz IVWOYOHYGBQWRE-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+](C)C[C@H]1[NH3+] 251391143 572572662 /nfs/dbraw/zinc/57/26/62/572572662.db2.gz JWBZMQGEKMSRIC-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 251391143 572572667 /nfs/dbraw/zinc/57/26/67/572572667.db2.gz JWBZMQGEKMSRIC-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1CC[C@H](CC(C)C)C1 307830311 572572677 /nfs/dbraw/zinc/57/26/77/572572677.db2.gz JBZAYMREIPYJSB-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1CC[C@H](CC(C)C)C1 307830311 572572679 /nfs/dbraw/zinc/57/26/79/572572679.db2.gz JBZAYMREIPYJSB-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[C@H]1C[N@@H+](C)C[C@H]1C[NH3+] 251408915 572572834 /nfs/dbraw/zinc/57/28/34/572572834.db2.gz NJMAASSLFLSRKI-VHSXEESVSA-N 2 1 170.300 1.169 10 0 ADAEMP CC(C)[C@@H]1C[NH2+][C@H]2CCC[C@H]2C[N@H+]1C 251423728 572573076 /nfs/dbraw/zinc/57/30/76/572573076.db2.gz QMCCHWRSSPUCGY-SRVKXCTJSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1C 251433732 572573156 /nfs/dbraw/zinc/57/31/56/572573156.db2.gz SSOLPAYDGUXACS-GARJFASQSA-N 2 1 182.311 1.182 10 0 ADAEMP CC(C)[C@H]1C[N@H+]2CCCC[C@H]2CC[NH2+]1 251419395 572573215 /nfs/dbraw/zinc/57/32/15/572573215.db2.gz PLSUYAONUJBEPX-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC/C=C/CC[N@@H+]1CCC[C@@H]([NH3+])C1 308064966 572573361 /nfs/dbraw/zinc/57/33/61/572573361.db2.gz XPGCKJFKNNYJCF-PGLGOXFNSA-N 2 1 182.311 1.766 10 0 ADAEMP CC/C=C/CC[N@H+]1CCC[C@@H]([NH3+])C1 308064966 572573365 /nfs/dbraw/zinc/57/33/65/572573365.db2.gz XPGCKJFKNNYJCF-PGLGOXFNSA-N 2 1 182.311 1.766 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C 251433736 572573383 /nfs/dbraw/zinc/57/33/83/572573383.db2.gz SSOLPAYDGUXACS-HBNTYKKESA-N 2 1 182.311 1.182 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C)C[C@H]1C[NH3+] 251381397 572573406 /nfs/dbraw/zinc/57/34/06/572573406.db2.gz HQDJBQBNUSQNLZ-ZJUUUORDSA-N 2 1 170.300 1.169 10 0 ADAEMP CC/C=C/CC[N@@H+]1CCC[C@H]([NH3+])C1 308064967 572573439 /nfs/dbraw/zinc/57/34/39/572573439.db2.gz XPGCKJFKNNYJCF-UFFNRZRYSA-N 2 1 182.311 1.766 10 0 ADAEMP CC/C=C/CC[N@H+]1CCC[C@H]([NH3+])C1 308064967 572573441 /nfs/dbraw/zinc/57/34/41/572573441.db2.gz XPGCKJFKNNYJCF-UFFNRZRYSA-N 2 1 182.311 1.766 10 0 ADAEMP CC(C)C[C@@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 251428886 572573524 /nfs/dbraw/zinc/57/35/24/572573524.db2.gz RMEXXTPVJQOAAI-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]1CCC[N@H+](C)C[C@H]1[NH3+] 251428886 572573520 /nfs/dbraw/zinc/57/35/20/572573520.db2.gz RMEXXTPVJQOAAI-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CCc1[nH+]c(C)cn1[C@H]1CC[C@@H]1C[NH3+] 714502925 572573562 /nfs/dbraw/zinc/57/35/62/572573562.db2.gz ASKYCEDMGVZJHD-ZJUUUORDSA-N 2 1 193.294 1.664 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+](C)C[C@H]1[NH3+] 251391146 572573785 /nfs/dbraw/zinc/57/37/85/572573785.db2.gz JWBZMQGEKMSRIC-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 251391146 572573787 /nfs/dbraw/zinc/57/37/87/572573787.db2.gz JWBZMQGEKMSRIC-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+][C@H](CC1CC1)c1c[nH+]ccc1N 87582139 572574407 /nfs/dbraw/zinc/57/44/07/572574407.db2.gz PITYNLRBSYHOLZ-LLVKDONJSA-N 2 1 191.278 1.724 10 0 ADAEMP CC[C@@H]1[C@H](C)[C@@H](C[NH3+])CC[N@H+]1C 251520583 572574530 /nfs/dbraw/zinc/57/45/30/572574530.db2.gz GIBSTXAFIFKBCN-OPRDCNLKSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCCC[NH3+] 84735277 572575165 /nfs/dbraw/zinc/57/51/65/572575165.db2.gz QKJDJOQDUNXRBW-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@H+]1C1CC1 251504433 572575356 /nfs/dbraw/zinc/57/53/56/572575356.db2.gz DZBZTTJYXOICRM-YUSALJHKSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCCC[NH3+] 84735276 572575680 /nfs/dbraw/zinc/57/56/80/572575680.db2.gz QKJDJOQDUNXRBW-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]2CCCC[C@H]2C1 251482197 572575790 /nfs/dbraw/zinc/57/57/90/572575790.db2.gz FSLQZSZFBFZJDH-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251467029 572575917 /nfs/dbraw/zinc/57/59/17/572575917.db2.gz ZXTJAJQBQSNNSA-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CCCCC[NH3+] 84735278 572575940 /nfs/dbraw/zinc/57/59/40/572575940.db2.gz QKJDJOQDUNXRBW-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCCC[NH3+] 84735272 572576047 /nfs/dbraw/zinc/57/60/47/572576047.db2.gz DRNYMBNEGLAFPI-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP Nc1cc(C[C@H]([NH3+])CC2CC2)cc[nH+]1 87581813 572576089 /nfs/dbraw/zinc/57/60/89/572576089.db2.gz ZCGDMYOAZWJOLY-SNVBAGLBSA-N 2 1 191.278 1.334 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)CCCC[NH3+] 84735273 572576187 /nfs/dbraw/zinc/57/61/87/572576187.db2.gz DRNYMBNEGLAFPI-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H]1C[C@]1([NH3+])[C@H]1CCC[N@@H+](C)C1 251480331 572576207 /nfs/dbraw/zinc/57/62/07/572576207.db2.gz CEVCQFARSAMBTO-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CCCC[NH3+] 84735274 572576263 /nfs/dbraw/zinc/57/62/63/572576263.db2.gz DRNYMBNEGLAFPI-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@H+]1C1CC1 251504429 572576277 /nfs/dbraw/zinc/57/62/77/572576277.db2.gz DZBZTTJYXOICRM-ADEWGFFLSA-N 2 1 194.322 1.469 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251467026 572576302 /nfs/dbraw/zinc/57/63/02/572576302.db2.gz ZXTJAJQBQSNNSA-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP C/C=C/C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 232464193 572576491 /nfs/dbraw/zinc/57/64/91/572576491.db2.gz DSWXBONDUVLKCQ-KXMPLOMGSA-N 2 1 194.322 1.636 10 0 ADAEMP CC[C@@H]1C[C@@]1([NH3+])[C@H]1CCC[N@@H+](C)C1 251480333 572576518 /nfs/dbraw/zinc/57/65/18/572576518.db2.gz CEVCQFARSAMBTO-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1[C@@H](C)[C@@H](C[NH3+])CC[N@H+]1C 251520573 572576784 /nfs/dbraw/zinc/57/67/84/572576784.db2.gz GIBSTXAFIFKBCN-IVZWLZJFSA-N 2 1 170.300 1.312 10 0 ADAEMP Cc1ccccc1[C@H]1[C@H](N)CC[N@H+]1C 69799034 572580889 /nfs/dbraw/zinc/58/08/89/572580889.db2.gz FSBPXGFAJBSVTH-NEPJUHHUSA-N 2 1 190.290 1.699 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCCC[NH3+] 84735275 572576980 /nfs/dbraw/zinc/57/69/80/572576980.db2.gz DRNYMBNEGLAFPI-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]2CCCC[C@H]2C1 251482195 572577104 /nfs/dbraw/zinc/57/71/04/572577104.db2.gz FSLQZSZFBFZJDH-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H](CC1CC1)c1c[nH+]ccc1N 87582137 572577130 /nfs/dbraw/zinc/57/71/30/572577130.db2.gz PITYNLRBSYHOLZ-NSHDSACASA-N 2 1 191.278 1.724 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)CCCCC[NH3+] 84735279 572577315 /nfs/dbraw/zinc/57/73/15/572577315.db2.gz QKJDJOQDUNXRBW-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP Nc1cc(C[C@@H]([NH3+])CC2CC2)cc[nH+]1 87581816 572577388 /nfs/dbraw/zinc/57/73/88/572577388.db2.gz ZCGDMYOAZWJOLY-JTQLQIEISA-N 2 1 191.278 1.334 10 0 ADAEMP Cc1ccc([C@@H]2[C@@H](C[NH3+])CC[N@@H+]2C)o1 69796152 572580014 /nfs/dbraw/zinc/58/00/14/572580014.db2.gz UXPRDHBXABDEIN-KOLCDFICSA-N 2 1 194.278 1.540 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@@H](C)[C@]12CC[N@@H+](C)C2 251575858 572577701 /nfs/dbraw/zinc/57/77/01/572577701.db2.gz CCIVPYWLJWVKQH-IJLUTSLNSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccco1 69797069 572577934 /nfs/dbraw/zinc/57/79/34/572577934.db2.gz KOZQTEBXTCBGMU-GXSJLCMTSA-N 2 1 194.278 1.621 10 0 ADAEMP CC1(C)CCC[N@H+]([C@@H]2CCC[C@@H]2N)C1 69793117 572578158 /nfs/dbraw/zinc/57/81/58/572578158.db2.gz WZQOAJQMRBHYOH-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCCN([C@@H]2CCC[C@@H]2[NH3+])C1 69793117 572578162 /nfs/dbraw/zinc/57/81/62/572578162.db2.gz WZQOAJQMRBHYOH-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[C@H]2C[N@@H+](C)CC[C@H]2[NH2+]1 251574343 572578567 /nfs/dbraw/zinc/57/85/67/572578567.db2.gz BUFNBMZFJKHCBW-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP CC1(C)CCC[N@H+]([C@H]2CCC[C@@H]2N)C1 69793118 572578671 /nfs/dbraw/zinc/57/86/71/572578671.db2.gz WZQOAJQMRBHYOH-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCCN([C@H]2CCC[C@@H]2[NH3+])C1 69793118 572578674 /nfs/dbraw/zinc/57/86/74/572578674.db2.gz WZQOAJQMRBHYOH-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[C@@H]2C[N@@H+](C)CC[C@H]2[NH2+]1 251574351 572578762 /nfs/dbraw/zinc/57/87/62/572578762.db2.gz BUFNBMZFJKHCBW-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccco1 69796353 572578852 /nfs/dbraw/zinc/57/88/52/572578852.db2.gz XNWLRYZGGTVXBT-GXSJLCMTSA-N 2 1 194.278 1.621 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1ccco1 69796353 572578856 /nfs/dbraw/zinc/57/88/56/572578856.db2.gz XNWLRYZGGTVXBT-GXSJLCMTSA-N 2 1 194.278 1.621 10 0 ADAEMP Cc1ccccc1[C@H]1[C@@H](N)CC[N@H+]1C 69799038 572579112 /nfs/dbraw/zinc/57/91/12/572579112.db2.gz FSBPXGFAJBSVTH-RYUDHWBXSA-N 2 1 190.290 1.699 10 0 ADAEMP Cc1ccc([C@H]2[C@H](C[NH3+])CC[N@@H+]2C)o1 69796151 572579283 /nfs/dbraw/zinc/57/92/83/572579283.db2.gz UXPRDHBXABDEIN-GXSJLCMTSA-N 2 1 194.278 1.540 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccco1 69797068 572579460 /nfs/dbraw/zinc/57/94/60/572579460.db2.gz KOZQTEBXTCBGMU-MWLCHTKSSA-N 2 1 194.278 1.621 10 0 ADAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccco1 69796352 572579657 /nfs/dbraw/zinc/57/96/57/572579657.db2.gz XNWLRYZGGTVXBT-MWLCHTKSSA-N 2 1 194.278 1.621 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1ccco1 69796352 572579664 /nfs/dbraw/zinc/57/96/64/572579664.db2.gz XNWLRYZGGTVXBT-MWLCHTKSSA-N 2 1 194.278 1.621 10 0 ADAEMP Cc1ccccc1[C@@H]1[C@@H](N)CC[N@H+]1C 69799036 572580288 /nfs/dbraw/zinc/58/02/88/572580288.db2.gz FSBPXGFAJBSVTH-NWDGAFQWSA-N 2 1 190.290 1.699 10 0 ADAEMP CC(C)[C@H](C[NH2+]CC1CCC1)[NH+](C)C 87584466 572580488 /nfs/dbraw/zinc/58/04/88/572580488.db2.gz PEIFHDLSBYJGMR-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP Cc1ccccc1[C@@H]1[C@H](N)CC[N@H+]1C 69799033 572580537 /nfs/dbraw/zinc/58/05/37/572580537.db2.gz FSBPXGFAJBSVTH-VXGBXAGGSA-N 2 1 190.290 1.699 10 0 ADAEMP Cc1ccc([C@H]2[C@@H](C[NH3+])CC[N@@H+]2C)o1 69796154 572580716 /nfs/dbraw/zinc/58/07/16/572580716.db2.gz UXPRDHBXABDEIN-MWLCHTKSSA-N 2 1 194.278 1.540 10 0 ADAEMP Cc1ccc([C@@H]2[C@H](C[NH3+])CC[N@@H+]2C)o1 69796149 572580783 /nfs/dbraw/zinc/58/07/83/572580783.db2.gz UXPRDHBXABDEIN-ONGXEEELSA-N 2 1 194.278 1.540 10 0 ADAEMP CCC1(C[N@H+]2CC[C@](C)([NH3+])C2)CCC1 405703966 572580863 /nfs/dbraw/zinc/58/08/63/572580863.db2.gz CBFKURCBDBWSNG-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@H](C)[C@]12CC[N@@H+](C)C2 251575861 572580916 /nfs/dbraw/zinc/58/09/16/572580916.db2.gz CCIVPYWLJWVKQH-QJPTWQEYSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)[C@@H](C[NH2+]CC1CCC1)[NH+](C)C 87584465 572581044 /nfs/dbraw/zinc/58/10/44/572581044.db2.gz PEIFHDLSBYJGMR-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H](C[NH3+])C2)C1 251587535 572581724 /nfs/dbraw/zinc/58/17/24/572581724.db2.gz FKLOMFWOISUAHP-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H](CC[NH3+])C2)C1 251584320 572582736 /nfs/dbraw/zinc/58/27/36/572582736.db2.gz FFBAQLYTRYKQOF-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@H](C2CCCC2)C1 74300007 572582933 /nfs/dbraw/zinc/58/29/33/572582933.db2.gz OWDYNZAGDPEVQS-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@H](C2CCCC2)C1 74300007 572582939 /nfs/dbraw/zinc/58/29/39/572582939.db2.gz OWDYNZAGDPEVQS-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCC1 87585068 572583212 /nfs/dbraw/zinc/58/32/12/572583212.db2.gz OYBJYTXDMGIKDX-PSASIEDQSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@@H](F)C1 689482410 572583339 /nfs/dbraw/zinc/58/33/39/572583339.db2.gz WVMTYASXPBTFER-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]CC1CC1)C1CCC1 87585076 572583389 /nfs/dbraw/zinc/58/33/89/572583389.db2.gz WJHDPDDZPNIQMR-SNVBAGLBSA-N 2 1 168.284 1.113 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C1CCCC1 74300012 572583435 /nfs/dbraw/zinc/58/34/35/572583435.db2.gz BWTKOFPUHXBHIT-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](CC[NH3+])C2)C1 251584329 572583450 /nfs/dbraw/zinc/58/34/50/572583450.db2.gz FFBAQLYTRYKQOF-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)C[NH2+][C@@H](C[NH3+])C1CCC1 87585070 572583490 /nfs/dbraw/zinc/58/34/90/572583490.db2.gz STIYZGVWDOIEHQ-JTQLQIEISA-N 2 1 170.300 1.359 10 0 ADAEMP [NH3+]C[C@H]([NH2+]CC1CC1)C1CCC1 87585077 572583585 /nfs/dbraw/zinc/58/35/85/572583585.db2.gz WJHDPDDZPNIQMR-JTQLQIEISA-N 2 1 168.284 1.113 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@H](C[NH3+])C2)C1 251587547 572583718 /nfs/dbraw/zinc/58/37/18/572583718.db2.gz FKLOMFWOISUAHP-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[NH3+])C2)C1 251583871 572584033 /nfs/dbraw/zinc/58/40/33/572584033.db2.gz BCKKUOGHEDOGFI-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CCC[C@H](F)C1 689482414 572584049 /nfs/dbraw/zinc/58/40/49/572584049.db2.gz WVMTYASXPBTFER-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCC1 87585067 572584227 /nfs/dbraw/zinc/58/42/27/572584227.db2.gz OYBJYTXDMGIKDX-WPRPVWTQSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[NH3+])C2)C1 251583881 572584244 /nfs/dbraw/zinc/58/42/44/572584244.db2.gz BCKKUOGHEDOGFI-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](CC[NH3+])C2)C1 251584311 572584396 /nfs/dbraw/zinc/58/43/96/572584396.db2.gz FFBAQLYTRYKQOF-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])C1CCC1 87584952 572584438 /nfs/dbraw/zinc/58/44/38/572584438.db2.gz MIBXMXPSVNIBSS-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@@H](F)C1 689482415 572584507 /nfs/dbraw/zinc/58/45/07/572584507.db2.gz WVMTYASXPBTFER-ZJUUUORDSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[NH3+])C2)C1 251583876 572584673 /nfs/dbraw/zinc/58/46/73/572584673.db2.gz BCKKUOGHEDOGFI-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])C1CCC1 87585069 572584747 /nfs/dbraw/zinc/58/47/47/572584747.db2.gz OYBJYTXDMGIKDX-WCBMZHEXSA-N 2 1 170.300 1.502 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])C1CCC1 87584951 572584759 /nfs/dbraw/zinc/58/47/59/572584759.db2.gz MIBXMXPSVNIBSS-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@H]2CCCC[C@@H]2C1 74300016 572584861 /nfs/dbraw/zinc/58/48/61/572584861.db2.gz YCLARTYBIVFRBI-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+](C)C[C@@H](N)Cc1ccco1 74300488 572585045 /nfs/dbraw/zinc/58/50/45/572585045.db2.gz PFUPRCLZUUWHTA-VIFPVBQESA-N 2 1 182.267 1.101 10 0 ADAEMP CC[N@@H+](C)C[C@@H](N)Cc1ccco1 74300488 572585048 /nfs/dbraw/zinc/58/50/48/572585048.db2.gz PFUPRCLZUUWHTA-VIFPVBQESA-N 2 1 182.267 1.101 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@@H]2CCCC[C@@H]2C1 74300014 572585261 /nfs/dbraw/zinc/58/52/61/572585261.db2.gz YCLARTYBIVFRBI-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CCC[C@H](F)C1 689482412 572585300 /nfs/dbraw/zinc/58/53/00/572585300.db2.gz WVMTYASXPBTFER-UWVGGRQHSA-N 2 1 188.290 1.548 10 0 ADAEMP CC(C)C[NH2+][C@H](C[NH3+])C1CCC1 87585071 572585525 /nfs/dbraw/zinc/58/55/25/572585525.db2.gz STIYZGVWDOIEHQ-SNVBAGLBSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCC1 87585066 572585906 /nfs/dbraw/zinc/58/59/06/572585906.db2.gz OYBJYTXDMGIKDX-SCZZXKLOSA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C)NC[C@@H]1C 251554403 572585961 /nfs/dbraw/zinc/58/59/61/572585961.db2.gz CIJDAIDHXYOENL-UWVGGRQHSA-N 2 1 170.300 1.467 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CCCC1)C1CCC1 87585073 572586162 /nfs/dbraw/zinc/58/61/62/572586162.db2.gz YIZGHKZVLWJBFI-LLVKDONJSA-N 2 1 182.311 1.646 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[NH3+])C2)C1 251650470 572586227 /nfs/dbraw/zinc/58/62/27/572586227.db2.gz JXPCWTSHRDNYAY-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CCCC1)C1CCC1 87585072 572586285 /nfs/dbraw/zinc/58/62/85/572586285.db2.gz YIZGHKZVLWJBFI-NSHDSACASA-N 2 1 182.311 1.646 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C1CCCC1 74300013 572586330 /nfs/dbraw/zinc/58/63/30/572586330.db2.gz BWTKOFPUHXBHIT-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[NH3+])C2)C1 251650473 572587134 /nfs/dbraw/zinc/58/71/34/572587134.db2.gz JXPCWTSHRDNYAY-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1CCCC[NH3+] 114715527 572587380 /nfs/dbraw/zinc/58/73/80/572587380.db2.gz PMSMAIJVGDMQPJ-AOOOYVTPSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403112936 572588927 /nfs/dbraw/zinc/58/89/27/572588927.db2.gz IQVKGLZYXSQHKW-WISYIIOYSA-N 2 1 196.338 1.620 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C)NC[C@@H]1C 251554416 572589377 /nfs/dbraw/zinc/58/93/77/572589377.db2.gz CIJDAIDHXYOENL-ZJUUUORDSA-N 2 1 170.300 1.467 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[NH3+])C2)C1 251650478 572589719 /nfs/dbraw/zinc/58/97/19/572589719.db2.gz JXPCWTSHRDNYAY-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])c1c[nH+]ccc1N 69845712 572590332 /nfs/dbraw/zinc/59/03/32/572590332.db2.gz DVSVFEIYLAJBMP-GMSGAONNSA-N 2 1 179.267 1.710 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)C(C)C 69845214 572590649 /nfs/dbraw/zinc/59/06/49/572590649.db2.gz RNNBWDUQSPRLLT-JTQLQIEISA-N 2 1 179.267 1.580 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])c1c[nH+]ccc1N 69845710 572590684 /nfs/dbraw/zinc/59/06/84/572590684.db2.gz DVSVFEIYLAJBMP-XVKPBYJWSA-N 2 1 179.267 1.710 10 0 ADAEMP C[NH2+][C@@H](c1c[nH+]ccc1N)C(C)C 69845216 572590915 /nfs/dbraw/zinc/59/09/15/572590915.db2.gz RNNBWDUQSPRLLT-SNVBAGLBSA-N 2 1 179.267 1.580 10 0 ADAEMP CC[NH2+][C@@H](C)c1c[nH+]ccc1N 69845262 572591190 /nfs/dbraw/zinc/59/11/90/572591190.db2.gz RZDFRWZMXCAZDM-ZETCQYMHSA-N 2 1 165.240 1.334 10 0 ADAEMP CC(C)[NH2+]Cc1c[nH+]ccc1N 69845818 572591314 /nfs/dbraw/zinc/59/13/14/572591314.db2.gz CYXIBOIHAYLGHW-UHFFFAOYSA-N 2 1 165.240 1.162 10 0 ADAEMP CC(C)C[C@H]([NH3+])c1c[nH+]ccc1N 69845033 572591870 /nfs/dbraw/zinc/59/18/70/572591870.db2.gz AEXFVCHOVFXLSE-JTQLQIEISA-N 2 1 179.267 1.710 10 0 ADAEMP CC(C)C[C@@H]([NH3+])c1c[nH+]ccc1N 69845037 572591912 /nfs/dbraw/zinc/59/19/12/572591912.db2.gz AEXFVCHOVFXLSE-SNVBAGLBSA-N 2 1 179.267 1.710 10 0 ADAEMP Cc1c[nH+]c(CC[NH2+]C(C)C)n1C 713395241 572591944 /nfs/dbraw/zinc/59/19/44/572591944.db2.gz HBTOGBICBUMHAO-UHFFFAOYSA-N 2 1 181.283 1.269 10 0 ADAEMP CSC[C@@H]([NH3+])c1c[nH+]ccc1N 69845643 572592211 /nfs/dbraw/zinc/59/22/11/572592211.db2.gz XLQMZHZEEYPQID-MRVPVSSYSA-N 2 1 183.280 1.027 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C1CC1 251654260 572592656 /nfs/dbraw/zinc/59/26/56/572592656.db2.gz NPQYMZDKTIWFBB-JLLWLGSASA-N 2 1 194.322 1.611 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@H+]1C1CC1 251654260 572592659 /nfs/dbraw/zinc/59/26/59/572592659.db2.gz NPQYMZDKTIWFBB-JLLWLGSASA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@H](C)c1c[nH+]ccc1N 69845265 572592819 /nfs/dbraw/zinc/59/28/19/572592819.db2.gz RZDFRWZMXCAZDM-SSDOTTSWSA-N 2 1 165.240 1.334 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@@H+]1C1CC1 251654262 572593114 /nfs/dbraw/zinc/59/31/14/572593114.db2.gz NPQYMZDKTIWFBB-YUSALJHKSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@H+]1C1CC1 251654262 572593117 /nfs/dbraw/zinc/59/31/17/572593117.db2.gz NPQYMZDKTIWFBB-YUSALJHKSA-N 2 1 194.322 1.611 10 0 ADAEMP C[NH2+][C@@H](CSC)c1c[nH+]ccc1N 69845649 572593518 /nfs/dbraw/zinc/59/35/18/572593518.db2.gz SOZHJAVHPAOYHD-VIFPVBQESA-N 2 1 197.307 1.287 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])c1c[nH+]ccc1N 69845708 572593847 /nfs/dbraw/zinc/59/38/47/572593847.db2.gz DVSVFEIYLAJBMP-XCBNKYQSSA-N 2 1 179.267 1.710 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])c1c[nH+]ccc1N 69845714 572594061 /nfs/dbraw/zinc/59/40/61/572594061.db2.gz DVSVFEIYLAJBMP-OIBJUYFYSA-N 2 1 179.267 1.710 10 0 ADAEMP CSC[C@H]([NH3+])c1c[nH+]ccc1N 69845641 572594237 /nfs/dbraw/zinc/59/42/37/572594237.db2.gz XLQMZHZEEYPQID-QMMMGPOBSA-N 2 1 183.280 1.027 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1CC[C@H](CC(C)C)C1 307837728 572594737 /nfs/dbraw/zinc/59/47/37/572594737.db2.gz WSXATVAQOVJAAF-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1CC[C@H](CC(C)C)C1 307837728 572594739 /nfs/dbraw/zinc/59/47/39/572594739.db2.gz WSXATVAQOVJAAF-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC2)C[C@@H](C)[NH2+]1 251619874 572594746 /nfs/dbraw/zinc/59/47/46/572594746.db2.gz HNCWAVVYUFFRMA-RKDXNWHRSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1CC[C@@H](CC(C)C)C1 307837729 572594874 /nfs/dbraw/zinc/59/48/74/572594874.db2.gz WSXATVAQOVJAAF-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 307837729 572594878 /nfs/dbraw/zinc/59/48/78/572594878.db2.gz WSXATVAQOVJAAF-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@@H+]1CC[C@@H](CC(C)C)C1 307837727 572595046 /nfs/dbraw/zinc/59/50/46/572595046.db2.gz WSXATVAQOVJAAF-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 307837727 572595051 /nfs/dbraw/zinc/59/50/51/572595051.db2.gz WSXATVAQOVJAAF-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP Cc1c[nH+]c([C@H]2C[NH2+][C@@H](C)C2)n1C 713396320 572595186 /nfs/dbraw/zinc/59/51/86/572595186.db2.gz LMWWVAFVRFGQKY-IONNQARKSA-N 2 1 179.267 1.194 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 403305721 572595321 /nfs/dbraw/zinc/59/53/21/572595321.db2.gz LIAJERQXRHFTNW-UKKRHICBSA-N 2 1 182.311 1.502 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)C[C@@H](C)[NH2+]1 251619870 572595343 /nfs/dbraw/zinc/59/53/43/572595343.db2.gz HNCWAVVYUFFRMA-DTWKUNHWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@@H+]1CC[C@H](CC(C)C)C1 307837730 572595407 /nfs/dbraw/zinc/59/54/07/572595407.db2.gz WSXATVAQOVJAAF-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@H+]1CC[C@H](CC(C)C)C1 307837730 572595412 /nfs/dbraw/zinc/59/54/12/572595412.db2.gz WSXATVAQOVJAAF-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP Cc1c[nH+]c([C@@H]2C[NH2+][C@H](C)C2)n1C 713396312 572595576 /nfs/dbraw/zinc/59/55/76/572595576.db2.gz LMWWVAFVRFGQKY-APPZFPTMSA-N 2 1 179.267 1.194 10 0 ADAEMP CC[C@@H]1C[C@@H](N)C[N@H+]([C@H](C)CC)C1 251615784 572595694 /nfs/dbraw/zinc/59/56/94/572595694.db2.gz LGYJSSYBQFMLBN-GMTAPVOTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1C[C@H](N)C[N@H+]([C@H](C)CC)C1 251615788 572595719 /nfs/dbraw/zinc/59/57/19/572595719.db2.gz LGYJSSYBQFMLBN-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@@H]([NH2+]C)[C@H]1CC[N@@H+](C)C1 251664519 572595890 /nfs/dbraw/zinc/59/58/90/572595890.db2.gz BZSKRQAHDKUOQF-GARJFASQSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CC[C@@H]1C 308069858 572596081 /nfs/dbraw/zinc/59/60/81/572596081.db2.gz AVXGXWFYDLKKQQ-GUBZILKMSA-N 2 1 170.300 1.502 10 0 ADAEMP Cc1c[nH+]c([C@H]2C[NH2+][C@H](C)C2)n1C 713396326 572596107 /nfs/dbraw/zinc/59/61/07/572596107.db2.gz LMWWVAFVRFGQKY-VXNVDRBHSA-N 2 1 179.267 1.194 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H](C[NH3+])C1 251616479 572596387 /nfs/dbraw/zinc/59/63/87/572596387.db2.gz CIKJCAMXAOKAQF-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CC[C@@H]1C 308069869 572596419 /nfs/dbraw/zinc/59/64/19/572596419.db2.gz AVXGXWFYDLKKQQ-LPEHRKFASA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CC[C@H]1C 308069874 572597121 /nfs/dbraw/zinc/59/71/21/572597121.db2.gz AVXGXWFYDLKKQQ-UTLUCORTSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@H]1CCC[N@H+](C)C[C@H]1[NH3+] 251660949 572597239 /nfs/dbraw/zinc/59/72/39/572597239.db2.gz HASQBNUDKVMNFH-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 251660949 572597241 /nfs/dbraw/zinc/59/72/41/572597241.db2.gz HASQBNUDKVMNFH-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP Cc1c[nH+]c([C@@H]2C[NH2+][C@@H](C)C2)n1C 713396316 572597387 /nfs/dbraw/zinc/59/73/87/572597387.db2.gz LMWWVAFVRFGQKY-CBAPKCEASA-N 2 1 179.267 1.194 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H](C[NH3+])C1 251616460 572597646 /nfs/dbraw/zinc/59/76/46/572597646.db2.gz CIKJCAMXAOKAQF-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H](C[NH3+])C1 251616470 572597712 /nfs/dbraw/zinc/59/77/12/572597712.db2.gz CIKJCAMXAOKAQF-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CC[C@H]1C 308069863 572597796 /nfs/dbraw/zinc/59/77/96/572597796.db2.gz AVXGXWFYDLKKQQ-KXUCPTDWSA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)C[C@H](C[NH3+])Cc1[nH]cc[nH+]1 87602234 572597949 /nfs/dbraw/zinc/59/79/49/572597949.db2.gz QOVHEXCSDPAJCY-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CC[C@H](C)[C@H]([NH2+]C)[C@H]1CC[N@@H+](C)C1 251664517 572598574 /nfs/dbraw/zinc/59/85/74/572598574.db2.gz BZSKRQAHDKUOQF-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H]1CC[N@@H+](C)[C@H]1CCC[NH3+] 251640070 572599298 /nfs/dbraw/zinc/59/92/98/572599298.db2.gz JCBWCBXDGTYQBU-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C)C2)C1 251627058 572599394 /nfs/dbraw/zinc/59/93/94/572599394.db2.gz IBDQTXYCKRUHBZ-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@H]1CCC[NH3+] 251640067 572599639 /nfs/dbraw/zinc/59/96/39/572599639.db2.gz JCBWCBXDGTYQBU-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])Cc1[nH]cc[nH+]1 87602235 572599805 /nfs/dbraw/zinc/59/98/05/572599805.db2.gz QOVHEXCSDPAJCY-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CC[N@@H+](C)C[C@@H]1C 251636231 572600295 /nfs/dbraw/zinc/60/02/95/572600295.db2.gz FRGXSJALAPAMPN-UTLUCORTSA-N 2 1 170.300 1.169 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C)C2)C1 251627060 572600733 /nfs/dbraw/zinc/60/07/33/572600733.db2.gz IBDQTXYCKRUHBZ-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CC[N@@H+](C)C[C@@H]1C 251636224 572600941 /nfs/dbraw/zinc/60/09/41/572600941.db2.gz FRGXSJALAPAMPN-KXUCPTDWSA-N 2 1 170.300 1.169 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CC[N@@H+](C)C[C@H]1C 251636221 572600961 /nfs/dbraw/zinc/60/09/61/572600961.db2.gz FRGXSJALAPAMPN-BBBLOLIVSA-N 2 1 170.300 1.169 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C)C2)C1 251627062 572601202 /nfs/dbraw/zinc/60/12/02/572601202.db2.gz IBDQTXYCKRUHBZ-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C)N[C@H](C)C1 251624154 572601248 /nfs/dbraw/zinc/60/12/48/572601248.db2.gz HVRLWWQLCWPEHA-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)CN1CC[C@@H](C)[NH2+][C@H](C)C1 251624154 572601254 /nfs/dbraw/zinc/60/12/54/572601254.db2.gz HVRLWWQLCWPEHA-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]CC[N@@H+]1CC[C@H](CC(C)C)C1 307843429 572601439 /nfs/dbraw/zinc/60/14/39/572601439.db2.gz VVZOQOPLBZDZDV-LLVKDONJSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CC[N@H+]1CC[C@H](CC(C)C)C1 307843429 572601441 /nfs/dbraw/zinc/60/14/41/572601441.db2.gz VVZOQOPLBZDZDV-LLVKDONJSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CC[N@@H+](C)C[C@H]1C 251636228 572601540 /nfs/dbraw/zinc/60/15/40/572601540.db2.gz FRGXSJALAPAMPN-OPRDCNLKSA-N 2 1 170.300 1.169 10 0 ADAEMP C[C@@H]1C[N@H+](C)C[C@H](C)[C@H]1[C@@H](C)C[NH3+] 251638859 572601582 /nfs/dbraw/zinc/60/15/82/572601582.db2.gz IZBPKBYXGXPZSF-UKKRHICBSA-N 2 1 184.327 1.415 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H](C)N[C@H](C)C1 251624157 572601632 /nfs/dbraw/zinc/60/16/32/572601632.db2.gz HVRLWWQLCWPEHA-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)CN1CC[C@H](C)[NH2+][C@H](C)C1 251624157 572601636 /nfs/dbraw/zinc/60/16/36/572601636.db2.gz HVRLWWQLCWPEHA-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@H]1[C@H](C)C[N@H+](C)C[C@@H]1C 251627149 572601746 /nfs/dbraw/zinc/60/17/46/572601746.db2.gz IBSRUUPEINRHIT-MYJAWHEDSA-N 2 1 170.300 1.040 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1[C@H](C)C[N@H+](C)C[C@@H]1C 251638864 572601851 /nfs/dbraw/zinc/60/18/51/572601851.db2.gz IZBPKBYXGXPZSF-ZNSHCXBVSA-N 2 1 184.327 1.415 10 0 ADAEMP C[C@H]1C[N@@H+](C)C[C@@H](C)[C@@H]1[NH2+]C1CC1 251622427 572602425 /nfs/dbraw/zinc/60/24/25/572602425.db2.gz HRSFZUMTCJQJQH-JZYVYDRUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C)C2)C1 251627065 572602469 /nfs/dbraw/zinc/60/24/69/572602469.db2.gz IBDQTXYCKRUHBZ-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CC[N@@H+]1CC[C@@H](CC(C)C)C1 307843430 572602576 /nfs/dbraw/zinc/60/25/76/572602576.db2.gz VVZOQOPLBZDZDV-NSHDSACASA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CC[N@H+]1CC[C@@H](CC(C)C)C1 307843430 572602580 /nfs/dbraw/zinc/60/25/80/572602580.db2.gz VVZOQOPLBZDZDV-NSHDSACASA-N 2 1 184.327 1.574 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccco1 74303318 572603177 /nfs/dbraw/zinc/60/31/77/572603177.db2.gz MLDLSKJZWDJLKG-RKDXNWHRSA-N 2 1 180.251 1.374 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1c1ccco1 74303318 572603179 /nfs/dbraw/zinc/60/31/79/572603179.db2.gz MLDLSKJZWDJLKG-RKDXNWHRSA-N 2 1 180.251 1.374 10 0 ADAEMP CCCC[NH2+]C[C@H]([NH3+])CC(F)F 308072169 572603237 /nfs/dbraw/zinc/60/32/37/572603237.db2.gz BYDQHZQDANSWMU-SSDOTTSWSA-N 2 1 180.242 1.359 10 0 ADAEMP COC[C@H](C)[N@@H+](CCC[NH3+])C(C)C 69901805 572603511 /nfs/dbraw/zinc/60/35/11/572603511.db2.gz PEDCBOMJWAJRNC-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccco1 74303316 572603555 /nfs/dbraw/zinc/60/35/55/572603555.db2.gz MLDLSKJZWDJLKG-DTWKUNHWSA-N 2 1 180.251 1.374 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@@H]1c1ccco1 74303316 572603557 /nfs/dbraw/zinc/60/35/57/572603557.db2.gz MLDLSKJZWDJLKG-DTWKUNHWSA-N 2 1 180.251 1.374 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403633560 572604885 /nfs/dbraw/zinc/60/48/85/572604885.db2.gz NTIZZHCVZUENJX-OUAUKWLOSA-N 2 1 196.338 1.750 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403633558 572605348 /nfs/dbraw/zinc/60/53/48/572605348.db2.gz NTIZZHCVZUENJX-MXWKQRLJSA-N 2 1 196.338 1.750 10 0 ADAEMP CC(C)c1[nH+]cn2c1CC[C@@H]2C[NH3+] 74304417 572605539 /nfs/dbraw/zinc/60/55/39/572605539.db2.gz FTHQVLNPJAEWJZ-MRVPVSSYSA-N 2 1 179.267 1.453 10 0 ADAEMP CC(C)c1[nH+]cn2c1CC[C@H]2C[NH3+] 74304415 572605638 /nfs/dbraw/zinc/60/56/38/572605638.db2.gz FTHQVLNPJAEWJZ-QMMMGPOBSA-N 2 1 179.267 1.453 10 0 ADAEMP CC(C)([NH3+])Cn1c[nH+]c2c1CCC2 74304589 572605710 /nfs/dbraw/zinc/60/57/10/572605710.db2.gz OZQWGDIOCAFKQJ-UHFFFAOYSA-N 2 1 179.267 1.109 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@@H]2[NH2+]C(C)(C)C[C@H]12 251649349 572605954 /nfs/dbraw/zinc/60/59/54/572605954.db2.gz JVEZLNALYUFPQO-MXWKQRLJSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2[NH2+]C(C)(C)C[C@H]12 251649349 572605958 /nfs/dbraw/zinc/60/59/58/572605958.db2.gz JVEZLNALYUFPQO-MXWKQRLJSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCC[NH2+]C[C@@H]([NH3+])CC(F)F 308072170 572606161 /nfs/dbraw/zinc/60/61/61/572606161.db2.gz BYDQHZQDANSWMU-ZETCQYMHSA-N 2 1 180.242 1.359 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@@H]2[NH2+]C(C)(C)C[C@@H]12 251649355 572606532 /nfs/dbraw/zinc/60/65/32/572606532.db2.gz JVEZLNALYUFPQO-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2[NH2+]C(C)(C)C[C@@H]12 251649355 572606535 /nfs/dbraw/zinc/60/65/35/572606535.db2.gz JVEZLNALYUFPQO-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@H]2[NH2+]C(C)(C)C[C@H]21 251649351 572606563 /nfs/dbraw/zinc/60/65/63/572606563.db2.gz JVEZLNALYUFPQO-OUAUKWLOSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@H]2[NH2+]C(C)(C)C[C@H]21 251649351 572606561 /nfs/dbraw/zinc/60/65/61/572606561.db2.gz JVEZLNALYUFPQO-OUAUKWLOSA-N 2 1 196.338 1.715 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@@H](C[NH3+])CCC2 74304487 572606883 /nfs/dbraw/zinc/60/68/83/572606883.db2.gz KBDOILUKRHHVAJ-MRVPVSSYSA-N 2 1 179.267 1.107 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@H](C[NH3+])CCC2 74304485 572607120 /nfs/dbraw/zinc/60/71/20/572607120.db2.gz KBDOILUKRHHVAJ-QMMMGPOBSA-N 2 1 179.267 1.107 10 0 ADAEMP C[C@@H]1C[N@@H+](C)C[C@H]2CCC[C@H]2[NH2+]1 251674996 572607400 /nfs/dbraw/zinc/60/74/00/572607400.db2.gz HNPHWFDTVIZNJT-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@@H](C)C(C)C 308076885 572607628 /nfs/dbraw/zinc/60/76/28/572607628.db2.gz FZGNTJBAISSNGB-UWVGGRQHSA-N 2 1 172.316 1.605 10 0 ADAEMP C[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCC[N@H+]1C 251680980 572609306 /nfs/dbraw/zinc/60/93/06/572609306.db2.gz ALCFYSPAKODPJJ-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2CC[NH3+])C1 251680500 572608042 /nfs/dbraw/zinc/60/80/42/572608042.db2.gz MJCSEIRJODXURF-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)CC[C@H]1CC[NH3+] 251671997 572608251 /nfs/dbraw/zinc/60/82/51/572608251.db2.gz LPMAFBQQGAUDDR-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H](C[NH2+]CC[NH2+]C)CC(C)C 308073337 572608361 /nfs/dbraw/zinc/60/83/61/572608361.db2.gz LJZWCYNFYGOCHL-LLVKDONJSA-N 2 1 186.343 1.868 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@H](C)C(C)C 308076884 572608558 /nfs/dbraw/zinc/60/85/58/572608558.db2.gz FZGNTJBAISSNGB-NXEZZACHSA-N 2 1 172.316 1.605 10 0 ADAEMP [NH3+]C[C@H]([NH3+])CCCCc1ccccc1 72172269 572608828 /nfs/dbraw/zinc/60/88/28/572608828.db2.gz XYKJRDDDFNUAKC-GFCCVEGCSA-N 2 1 192.306 1.685 10 0 ADAEMP C[C@@H]1CC[C@H]2CC[NH2+]C[C@H]2[N@@H+]1C 251682532 572608856 /nfs/dbraw/zinc/60/88/56/572608856.db2.gz GXDPBMDCRDPRTD-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[C@H]2CC[NH2+]C[C@H]2[N@H+]1C 251682532 572608863 /nfs/dbraw/zinc/60/88/63/572608863.db2.gz GXDPBMDCRDPRTD-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[N@@H+](C)C[C@@H]2CCC[C@H]2[NH2+]1 251674991 572608914 /nfs/dbraw/zinc/60/89/14/572608914.db2.gz HNPHWFDTVIZNJT-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1CC[N@@H+](C)CC[C@H]1CC[NH3+] 251672001 572608962 /nfs/dbraw/zinc/60/89/62/572608962.db2.gz LPMAFBQQGAUDDR-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H]1C[C@]1([NH3+])C[C@H]1CCCC[N@H+]1C 251680984 572610319 /nfs/dbraw/zinc/61/03/19/572610319.db2.gz ALCFYSPAKODPJJ-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@H](C)C(C)C 308076888 572609219 /nfs/dbraw/zinc/60/92/19/572609219.db2.gz FZGNTJBAISSNGB-ZJUUUORDSA-N 2 1 172.316 1.605 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2CC[NH3+])C1 251680495 572610341 /nfs/dbraw/zinc/61/03/41/572610341.db2.gz MJCSEIRJODXURF-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C 165933025 572609511 /nfs/dbraw/zinc/60/95/11/572609511.db2.gz NCFXPVMBFRUTFC-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1C[N@@H+](C)C[C@H]2CCC[C@@H]2[NH2+]1 251674985 572609646 /nfs/dbraw/zinc/60/96/46/572609646.db2.gz HNPHWFDTVIZNJT-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@@H](C)C(C)C 308076887 572610022 /nfs/dbraw/zinc/61/00/22/572610022.db2.gz FZGNTJBAISSNGB-VHSXEESVSA-N 2 1 172.316 1.605 10 0 ADAEMP CC[C@H](C[NH2+]CC[NH2+]C)CC(C)C 308073339 572610029 /nfs/dbraw/zinc/61/00/29/572610029.db2.gz LJZWCYNFYGOCHL-NSHDSACASA-N 2 1 186.343 1.868 10 0 ADAEMP C[C@@H]1CC[C@@H]2CC[NH2+]C[C@H]2[N@@H+]1C 251682538 572610106 /nfs/dbraw/zinc/61/01/06/572610106.db2.gz GXDPBMDCRDPRTD-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[C@@H]2CC[NH2+]C[C@H]2[N@H+]1C 251682538 572610107 /nfs/dbraw/zinc/61/01/07/572610107.db2.gz GXDPBMDCRDPRTD-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2CC[NH3+])C1 251680498 572610213 /nfs/dbraw/zinc/61/02/13/572610213.db2.gz MJCSEIRJODXURF-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 307848952 572613317 /nfs/dbraw/zinc/61/33/17/572613317.db2.gz ZSTLALMYBFLILT-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]CC[N@H+]1CC[C@@H](CC(C)(C)C)C1 307848952 572613320 /nfs/dbraw/zinc/61/33/20/572613320.db2.gz ZSTLALMYBFLILT-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCF 308073780 572610920 /nfs/dbraw/zinc/61/09/20/572610920.db2.gz CMTWEGSVMOLVNK-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCCCF 308073780 572610922 /nfs/dbraw/zinc/61/09/22/572610922.db2.gz CMTWEGSVMOLVNK-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCCF 308073783 572610941 /nfs/dbraw/zinc/61/09/41/572610941.db2.gz CMTWEGSVMOLVNK-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCCF 308073783 572610944 /nfs/dbraw/zinc/61/09/44/572610944.db2.gz CMTWEGSVMOLVNK-RKDXNWHRSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@@H](CC[NH3+])C1 251687519 572611118 /nfs/dbraw/zinc/61/11/18/572611118.db2.gz MWJHYFYNMVLMAI-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCF 308073782 572611322 /nfs/dbraw/zinc/61/13/22/572611322.db2.gz CMTWEGSVMOLVNK-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCF 308073782 572611325 /nfs/dbraw/zinc/61/13/25/572611325.db2.gz CMTWEGSVMOLVNK-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H](CC[NH3+])C1 251687523 572611419 /nfs/dbraw/zinc/61/14/19/572611419.db2.gz MWJHYFYNMVLMAI-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCCCF 308073781 572611493 /nfs/dbraw/zinc/61/14/93/572611493.db2.gz CMTWEGSVMOLVNK-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCCCF 308073781 572611499 /nfs/dbraw/zinc/61/14/99/572611499.db2.gz CMTWEGSVMOLVNK-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP CC(C)(C)[C@H]([NH3+])Cc1cc[nH+]c(N)c1 69942219 572612445 /nfs/dbraw/zinc/61/24/45/572612445.db2.gz YTMPTFMKPMOMRS-SECBINFHSA-N 2 1 193.294 1.580 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1C[C@H](N)C1CC1 69944760 572612608 /nfs/dbraw/zinc/61/26/08/572612608.db2.gz FEQPUQQRBGCKTL-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)CN)C[C@H](C)C12CC2 251701682 572613358 /nfs/dbraw/zinc/61/33/58/572613358.db2.gz ODVHANMNTRBOGI-OUAUKWLOSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1C[C@H](N)C1CC1 69944761 572613519 /nfs/dbraw/zinc/61/35/19/572613519.db2.gz FEQPUQQRBGCKTL-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@H]([NH3+])Cc1cc[nH+]c(N)c1 69942191 572613587 /nfs/dbraw/zinc/61/35/87/572613587.db2.gz WGOQWLKYNCMTEC-SECBINFHSA-N 2 1 179.267 1.190 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](N)C[C@H](C(C)C)C1 250542807 572614114 /nfs/dbraw/zinc/61/41/14/572614114.db2.gz BWJVUHWXPLDBNU-NWDGAFQWSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)CN1C[C@H]([NH3+])C[C@H](C(C)C)C1 250542807 572614117 /nfs/dbraw/zinc/61/41/17/572614117.db2.gz BWJVUHWXPLDBNU-NWDGAFQWSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H](CN)[NH+]1C[C@H](C)C2(CC2)[C@@H](C)C1 251701679 572614634 /nfs/dbraw/zinc/61/46/34/572614634.db2.gz ODVHANMNTRBOGI-GARJFASQSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[NH+]([C@H](C)CN)C[C@@H](C)C12CC2 251701680 572614777 /nfs/dbraw/zinc/61/47/77/572614777.db2.gz ODVHANMNTRBOGI-GMTAPVOTSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH3+])Cc1c[nH]c(C)[nH+]1 74301430 572618059 /nfs/dbraw/zinc/61/80/59/572618059.db2.gz BXRZRRLRUPPFPL-XCBNKYQSSA-N 2 1 181.283 1.634 10 0 ADAEMP CC(C)[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942193 572615273 /nfs/dbraw/zinc/61/52/73/572615273.db2.gz WGOQWLKYNCMTEC-VIFPVBQESA-N 2 1 179.267 1.190 10 0 ADAEMP C[NH2+]CC[N@@H+]1CC[C@H](CC(C)(C)C)C1 307848951 572615278 /nfs/dbraw/zinc/61/52/78/572615278.db2.gz ZSTLALMYBFLILT-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]CC[N@H+]1CC[C@H](CC(C)(C)C)C1 307848951 572615283 /nfs/dbraw/zinc/61/52/83/572615283.db2.gz ZSTLALMYBFLILT-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP Cc1c[nH+]c([C@@H]2[C@H]([NH3+])C2(C)C)n1C 713414424 572615545 /nfs/dbraw/zinc/61/55/45/572615545.db2.gz LJTMTMZKXXYFPH-YUMQZZPRSA-N 2 1 179.267 1.179 10 0 ADAEMP CC[C@@H](N)C[N@H+]1CCCCC[C@@H]1C 69944774 572615552 /nfs/dbraw/zinc/61/55/52/572615552.db2.gz AYBNYSZQWHJJPK-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@@H](C)c1c[nH+]cn1C 74301379 572615728 /nfs/dbraw/zinc/61/57/28/572615728.db2.gz UIZTUGUKKIVMLQ-WPRPVWTQSA-N 2 1 181.283 1.507 10 0 ADAEMP CCC[C@H]([NH3+])Cc1cc[nH+]c(N)c1 69942209 572615781 /nfs/dbraw/zinc/61/57/81/572615781.db2.gz UZOSYLFDHWFFSQ-VIFPVBQESA-N 2 1 179.267 1.334 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 69942220 572615839 /nfs/dbraw/zinc/61/58/39/572615839.db2.gz YTMPTFMKPMOMRS-VIFPVBQESA-N 2 1 193.294 1.580 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCCCC[C@H]1C 69945138 572615890 /nfs/dbraw/zinc/61/58/90/572615890.db2.gz QWSNTDYFMGUZAI-ZJUUUORDSA-N 2 1 197.326 1.965 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@@H](C)c1c[nH+]cn1C 74301381 572615905 /nfs/dbraw/zinc/61/59/05/572615905.db2.gz UIZTUGUKKIVMLQ-WCBMZHEXSA-N 2 1 181.283 1.507 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@H](C)c1c[nH+]cn1C 74301382 572615941 /nfs/dbraw/zinc/61/59/41/572615941.db2.gz UIZTUGUKKIVMLQ-SCZZXKLOSA-N 2 1 181.283 1.507 10 0 ADAEMP CCc1[nH+]cn(C(C)(C)C[NH3+])c1C 74301488 572616021 /nfs/dbraw/zinc/61/60/21/572616021.db2.gz YDSNZECWXQXCGO-UHFFFAOYSA-N 2 1 181.283 1.448 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@H](C)c1c[nH+]cn1C 74301383 572616065 /nfs/dbraw/zinc/61/60/65/572616065.db2.gz UIZTUGUKKIVMLQ-PSASIEDQSA-N 2 1 181.283 1.507 10 0 ADAEMP CC[C@H](C[NH3+])c1[nH+]c(C)n(C)c1C 74301353 572616430 /nfs/dbraw/zinc/61/64/30/572616430.db2.gz DFFXFMCAGVXTOR-SECBINFHSA-N 2 1 181.283 1.489 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])Cc1c[nH]c(C)[nH+]1 74301432 572616494 /nfs/dbraw/zinc/61/64/94/572616494.db2.gz BXRZRRLRUPPFPL-XVKPBYJWSA-N 2 1 181.283 1.634 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])Cc1c[nH]c(C)[nH+]1 74301429 572616746 /nfs/dbraw/zinc/61/67/46/572616746.db2.gz BXRZRRLRUPPFPL-OIBJUYFYSA-N 2 1 181.283 1.634 10 0 ADAEMP Cc1[nH+]c(C(C)(C)C[NH3+])c(C)n1C 74301354 572617347 /nfs/dbraw/zinc/61/73/47/572617347.db2.gz OVKOZYPISABFSB-UHFFFAOYSA-N 2 1 181.283 1.273 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1C[C@]12CCC[N@@H+](C)CC2 251708089 572617658 /nfs/dbraw/zinc/61/76/58/572617658.db2.gz XZZSOMFTXMEXHL-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CCC[C@H]1[NH3+] 69963626 572617742 /nfs/dbraw/zinc/61/77/42/572617742.db2.gz YDJNBHFDIVISDU-NXEZZACHSA-N 2 1 193.294 1.888 10 0 ADAEMP CCCc1[nH+]ccn1CC[C@@H](C)[NH3+] 69963816 572617929 /nfs/dbraw/zinc/61/79/29/572617929.db2.gz JIOQHQNVGGCTKJ-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CCC[C@H]1[NH3+] 69963629 572618086 /nfs/dbraw/zinc/61/80/86/572618086.db2.gz YDJNBHFDIVISDU-ZJUUUORDSA-N 2 1 193.294 1.888 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CCC[C@@H]1[NH3+] 69963622 572618141 /nfs/dbraw/zinc/61/81/41/572618141.db2.gz YDJNBHFDIVISDU-UWVGGRQHSA-N 2 1 193.294 1.888 10 0 ADAEMP C[C@H]([NH3+])[C@H]1C[C@]12CCC[N@@H+](C)CC2 251708090 572618236 /nfs/dbraw/zinc/61/82/36/572618236.db2.gz XZZSOMFTXMEXHL-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CCC[C@@H]1[NH3+] 69963620 572618254 /nfs/dbraw/zinc/61/82/54/572618254.db2.gz YDJNBHFDIVISDU-VHSXEESVSA-N 2 1 193.294 1.888 10 0 ADAEMP CCCc1[nH+]ccn1C[C@H]([NH3+])C1CC1 69963673 572618279 /nfs/dbraw/zinc/61/82/79/572618279.db2.gz VJYDKGQHRRZFDG-JTQLQIEISA-N 2 1 193.294 1.573 10 0 ADAEMP CC[C@@H](C[NH3+])c1[nH+]c(C)n(C)c1C 74301351 572618356 /nfs/dbraw/zinc/61/83/56/572618356.db2.gz DFFXFMCAGVXTOR-VIFPVBQESA-N 2 1 181.283 1.489 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])Cc1c[nH]c(C)[nH+]1 74301427 572618502 /nfs/dbraw/zinc/61/85/02/572618502.db2.gz BXRZRRLRUPPFPL-GMSGAONNSA-N 2 1 181.283 1.634 10 0 ADAEMP C[C@@H](C[NH3+])[C@H]1CCCC[N@H+]1C 83268931 572618714 /nfs/dbraw/zinc/61/87/14/572618714.db2.gz LTYWUDMSVDHAMV-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CCCC[N@H+]1C 83268930 572618891 /nfs/dbraw/zinc/61/88/91/572618891.db2.gz LTYWUDMSVDHAMV-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CCCC[N@H+]1C 83268932 572620290 /nfs/dbraw/zinc/62/02/90/572620290.db2.gz LTYWUDMSVDHAMV-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251751056 572620549 /nfs/dbraw/zinc/62/05/49/572620549.db2.gz LJRGFFHEXXHAJP-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251751056 572620552 /nfs/dbraw/zinc/62/05/52/572620552.db2.gz LJRGFFHEXXHAJP-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@H+](C)C[C@H](C)[C@@]12CC[NH2+]C2 251723693 572620816 /nfs/dbraw/zinc/62/08/16/572620816.db2.gz PYCPJMKPQCDIBW-JGPRNRPPSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@H]1CC[N@@H+](C2CC2)C[C@H]1[NH3+] 251751060 572620965 /nfs/dbraw/zinc/62/09/65/572620965.db2.gz LJRGFFHEXXHAJP-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC2)C[C@H]1[NH3+] 251751060 572620968 /nfs/dbraw/zinc/62/09/68/572620968.db2.gz LJRGFFHEXXHAJP-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[C@@H]1[C@H]([NH3+])CC[N@@H+](C)[C@@H]1C 74310711 572622791 /nfs/dbraw/zinc/62/27/91/572622791.db2.gz NZJKPOXNMRORMD-BBBLOLIVSA-N 2 1 170.300 1.310 10 0 ADAEMP CCC[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 74310646 572622853 /nfs/dbraw/zinc/62/28/53/572622853.db2.gz QTWREBBREVANBX-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H]1[C@H](C)[N@H+](C)CC[C@H]1[NH3+] 74310713 572623010 /nfs/dbraw/zinc/62/30/10/572623010.db2.gz NZJKPOXNMRORMD-AEJSXWLSSA-N 2 1 170.300 1.310 10 0 ADAEMP CCC[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 74310650 572623150 /nfs/dbraw/zinc/62/31/50/572623150.db2.gz QTWREBBREVANBX-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH3+] 74310722 572623176 /nfs/dbraw/zinc/62/31/76/572623176.db2.gz MBSCLYQIDTVECD-KXUCPTDWSA-N 2 1 170.300 1.310 10 0 ADAEMP CC(C)C[C@H]1CC[C@H]([NH3+])C[N@H+]1C 74310667 572623221 /nfs/dbraw/zinc/62/32/21/572623221.db2.gz AXPPLWOWXFAJQY-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH+](C)[C@H](C[NH3+])CCC(C)(C)C 74309844 572623242 /nfs/dbraw/zinc/62/32/42/572623242.db2.gz POUFNWZRYUHWII-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP CCC[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 74310647 572623349 /nfs/dbraw/zinc/62/33/49/572623349.db2.gz QTWREBBREVANBX-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@]1(C)C[C@@H](C)CC[N@H+](C)C1 251735343 572623808 /nfs/dbraw/zinc/62/38/08/572623808.db2.gz QVRDEAOQQUBCNP-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@]1(C)C[C@@H](C)CC[N@@H+](C)C1 251735343 572623813 /nfs/dbraw/zinc/62/38/13/572623813.db2.gz QVRDEAOQQUBCNP-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH+](C)[C@H](C[NH3+])CC1CCCC1 74310705 572623909 /nfs/dbraw/zinc/62/39/09/572623909.db2.gz WTDQMAGBSHRDNL-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH3+] 74310719 572624027 /nfs/dbraw/zinc/62/40/27/572624027.db2.gz MBSCLYQIDTVECD-UTLUCORTSA-N 2 1 170.300 1.310 10 0 ADAEMP CC(C)[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH3+] 74310720 572624058 /nfs/dbraw/zinc/62/40/58/572624058.db2.gz MBSCLYQIDTVECD-GUBZILKMSA-N 2 1 170.300 1.310 10 0 ADAEMP CC(C)C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 74310680 572624099 /nfs/dbraw/zinc/62/40/99/572624099.db2.gz JZNPJBWSOSUVQO-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH3+] 74310723 572624158 /nfs/dbraw/zinc/62/41/58/572624158.db2.gz MBSCLYQIDTVECD-LPEHRKFASA-N 2 1 170.300 1.310 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74310657 572624332 /nfs/dbraw/zinc/62/43/32/572624332.db2.gz PXLPPNNLSMKJKF-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74310657 572624334 /nfs/dbraw/zinc/62/43/34/572624334.db2.gz PXLPPNNLSMKJKF-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C 74310679 572624380 /nfs/dbraw/zinc/62/43/80/572624380.db2.gz JZNPJBWSOSUVQO-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC2(CC2)[C@@H](C)C1 251743543 572627395 /nfs/dbraw/zinc/62/73/95/572627395.db2.gz KYWUKNSXWIMKIP-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C 74310665 572624860 /nfs/dbraw/zinc/62/48/60/572624860.db2.gz AXPPLWOWXFAJQY-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH+](C)[C@@H](C[NH3+])CCC(C)(C)C 74309846 572625021 /nfs/dbraw/zinc/62/50/21/572625021.db2.gz POUFNWZRYUHWII-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@H](C)[C@@H]1C[C@H]([NH3+])CC[N@H+]1C 74310682 572625063 /nfs/dbraw/zinc/62/50/63/572625063.db2.gz QGZHOGWFZWBITJ-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@H]1C[C@H]([NH3+])C[N@H+](C)C1 74310664 572625098 /nfs/dbraw/zinc/62/50/98/572625098.db2.gz RXEQELZGERVOJZ-GUBZILKMSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[C@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74310664 572625101 /nfs/dbraw/zinc/62/51/01/572625101.db2.gz RXEQELZGERVOJZ-GUBZILKMSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH3+] 74310716 572625334 /nfs/dbraw/zinc/62/53/34/572625334.db2.gz HSAAACOKJQCYPW-BBBLOLIVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C 74310676 572625474 /nfs/dbraw/zinc/62/54/74/572625474.db2.gz JZNPJBWSOSUVQO-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@H]1C[N@@H+](C)CC[C@H]1[NH3+] 251730645 572625527 /nfs/dbraw/zinc/62/55/27/572625527.db2.gz FNMDSFPZEQBYCU-IVZWLZJFSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1C[C@H]([NH3+])C[N@H+](C)C1 74310655 572625776 /nfs/dbraw/zinc/62/57/76/572625776.db2.gz PXLPPNNLSMKJKF-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74310655 572625779 /nfs/dbraw/zinc/62/57/79/572625779.db2.gz PXLPPNNLSMKJKF-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1CC[C@@H]([NH3+])C[N@H+]1C 74310669 572625802 /nfs/dbraw/zinc/62/58/02/572625802.db2.gz AXPPLWOWXFAJQY-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@@H]1C[N@@H+](C)CC[C@H]1[NH3+] 251730646 572626145 /nfs/dbraw/zinc/62/61/45/572626145.db2.gz FNMDSFPZEQBYCU-LPEHRKFASA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H]1CC[N@@H+](C2CC2)[C@@H](C)C[NH2+]1 251740892 572626168 /nfs/dbraw/zinc/62/61/68/572626168.db2.gz RHYFGBNJYDFCID-IUCAKERBSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@H]1C[NH2+][C@H](C)CC[N@H+]1C1CC1 251740890 572626546 /nfs/dbraw/zinc/62/65/46/572626546.db2.gz RHYFGBNJYDFCID-BDAKNGLRSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)CC[C@H](C[NH3+])[NH+](C)C 394047451 572626569 /nfs/dbraw/zinc/62/65/69/572626569.db2.gz KJYMTJDLBDESPQ-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C2(CC2)[C@@H](C)C1 251764687 572627566 /nfs/dbraw/zinc/62/75/66/572627566.db2.gz UNBUABYFLWVYMI-AXFHLTTASA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C2(CC2)[C@@H](C)C1 251764687 572627569 /nfs/dbraw/zinc/62/75/69/572627569.db2.gz UNBUABYFLWVYMI-AXFHLTTASA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)CN1CC[C@@H](C)[NH2+]C[C@@H]1C 251743666 572627853 /nfs/dbraw/zinc/62/78/53/572627853.db2.gz RPCHUEIYEDBERM-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC2(CC2)[C@H](C)C1 251743549 572627894 /nfs/dbraw/zinc/62/78/94/572627894.db2.gz KYWUKNSXWIMKIP-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)CN1CC[C@H](C)[NH2+]C[C@@H]1C 251743671 572628193 /nfs/dbraw/zinc/62/81/93/572628193.db2.gz RPCHUEIYEDBERM-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1C[C@@H](C)C2(CC2)[C@H](C)C1 251764692 572629002 /nfs/dbraw/zinc/62/90/02/572629002.db2.gz UNBUABYFLWVYMI-MXWKQRLJSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[N@H+](C)C[C@H](C)[C@H]1[C@@H](C)[NH3+] 251770157 572630215 /nfs/dbraw/zinc/63/02/15/572630215.db2.gz VBVYNTGAAQYVNU-RGOKHQFPSA-N 2 1 170.300 1.167 10 0 ADAEMP Cc1c[nH+]ccc1N[C@@H]1CC[N@H+](C)C1 70047188 572630979 /nfs/dbraw/zinc/63/09/79/572630979.db2.gz DUIWXDRJQYVKQO-SNVBAGLBSA-N 2 1 191.278 1.506 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 251771098 572631764 /nfs/dbraw/zinc/63/17/64/572631764.db2.gz VDCOSMGCNMMWPN-DDHJBXDOSA-N 2 1 196.338 1.844 10 0 ADAEMP Cc1c[nH+]ccc1N[C@H]1CC[N@H+](C)C1 70047190 572632911 /nfs/dbraw/zinc/63/29/11/572632911.db2.gz DUIWXDRJQYVKQO-JTQLQIEISA-N 2 1 191.278 1.506 10 0 ADAEMP C[C@H]([NH3+])[C@H]1[C@H](C)C[N@H+](C)C[C@@H]1C 251770155 572631974 /nfs/dbraw/zinc/63/19/74/572631974.db2.gz VBVYNTGAAQYVNU-QCLAVDOMSA-N 2 1 170.300 1.167 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 251771100 572632058 /nfs/dbraw/zinc/63/20/58/572632058.db2.gz VDCOSMGCNMMWPN-WISYIIOYSA-N 2 1 196.338 1.844 10 0 ADAEMP Cc1c[nH+]ccc1OCC[NH2+]C(C)C 70047831 572632117 /nfs/dbraw/zinc/63/21/17/572632117.db2.gz QBGVNNGHBRLQFA-UHFFFAOYSA-N 2 1 194.278 1.767 10 0 ADAEMP CC[C@@H]1C[C@@]1([NH3+])C[C@H]1CCC[N@@H+](C)C1 251768404 572632368 /nfs/dbraw/zinc/63/23/68/572632368.db2.gz VVLDQXAQKHTRFK-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1C[C@]1([NH3+])C[C@H]1CCC[N@@H+](C)C1 251768402 572632734 /nfs/dbraw/zinc/63/27/34/572632734.db2.gz VVLDQXAQKHTRFK-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C1 251771102 572632754 /nfs/dbraw/zinc/63/27/54/572632754.db2.gz VDCOSMGCNMMWPN-WRWGMCAJSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)C/C=C/C[NH3+] 85054792 572633895 /nfs/dbraw/zinc/63/38/95/572633895.db2.gz LUDYLHCYAHFZJT-VQCYPWCPSA-N 2 1 170.300 1.622 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1cccnc1 85054812 572633935 /nfs/dbraw/zinc/63/39/35/572633935.db2.gz ORCBDEZEGCMSKA-NSCUHMNNSA-N 2 1 191.278 1.028 10 0 ADAEMP CC[C@@H](C[NH2+][C@@H](C)C[NH3+])CC(C)C 308081646 572633949 /nfs/dbraw/zinc/63/39/49/572633949.db2.gz QXOARFUPSABWMS-WDEREUQCSA-N 2 1 186.343 1.996 10 0 ADAEMP C[C@H]1[C@@H]2[NH2+]CCC[C@H]2C[C@@H](C)[N@H+]1C 251758209 572634023 /nfs/dbraw/zinc/63/40/23/572634023.db2.gz DMHGTCGAUQNQFM-RCWTZXSCSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@@H]2[NH2+]CCC[C@H]2C[C@@H](C)[N@@H+]1C 251758209 572634029 /nfs/dbraw/zinc/63/40/29/572634029.db2.gz DMHGTCGAUQNQFM-RCWTZXSCSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054789 572634034 /nfs/dbraw/zinc/63/40/34/572634034.db2.gz IGRBWSQMOUWBQA-VUHVRTRXSA-N 2 1 156.273 1.232 10 0 ADAEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1C/C=C/C[NH3+] 85054878 572634083 /nfs/dbraw/zinc/63/40/83/572634083.db2.gz NICIJAQPWGYHPT-BXXZLRJFSA-N 2 1 198.310 1.001 10 0 ADAEMP C[C@@H]1C[C@@H]2CCC[NH2+][C@H]2[C@@H](C)[N@@H+]1C 251758214 572634142 /nfs/dbraw/zinc/63/41/42/572634142.db2.gz DMHGTCGAUQNQFM-ZNSHCXBVSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]2CCC[NH2+][C@H]2[C@@H](C)[N@H+]1C 251758214 572634148 /nfs/dbraw/zinc/63/41/48/572634148.db2.gz DMHGTCGAUQNQFM-ZNSHCXBVSA-N 2 1 182.311 1.467 10 0 ADAEMP CCC(CC)[N@@H+](C)C/C=C/C[NH3+] 85054819 572634150 /nfs/dbraw/zinc/63/41/50/572634150.db2.gz MNIQMWNZKQKITE-VOTSOKGWSA-N 2 1 170.300 1.622 10 0 ADAEMP CC[N@@H+](C/C=C/C[NH3+])C1CCCC1 85054805 572634219 /nfs/dbraw/zinc/63/42/19/572634219.db2.gz YNRPNSKJXZXHOV-AATRIKPKSA-N 2 1 182.311 1.766 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054790 572634264 /nfs/dbraw/zinc/63/42/64/572634264.db2.gz IGRBWSQMOUWBQA-CYNONHLPSA-N 2 1 156.273 1.232 10 0 ADAEMP CC(C)C[N@@H+](C)C/C=C/C[NH3+] 85054788 572634302 /nfs/dbraw/zinc/63/43/02/572634302.db2.gz FDCGGWOVIQKROQ-SNAWJCMRSA-N 2 1 156.273 1.089 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C/C=C/C[NH3+] 85054816 572634337 /nfs/dbraw/zinc/63/43/37/572634337.db2.gz HWFGNGJJSDSGQV-CDAZIORVSA-N 2 1 168.284 1.232 10 0 ADAEMP CC[N@@H+](C/C=C/C[NH3+])C(C)C 85054780 572634357 /nfs/dbraw/zinc/63/43/57/572634357.db2.gz XDBZXHUAELALLL-AATRIKPKSA-N 2 1 156.273 1.232 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054820 572635284 /nfs/dbraw/zinc/63/52/84/572635284.db2.gz XQBDVCKIKXWJHA-BRAIEQGRSA-N 2 1 170.300 1.622 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1ccco1 85054802 572634474 /nfs/dbraw/zinc/63/44/74/572634474.db2.gz WLHJTWBJYOOFQN-NSCUHMNNSA-N 2 1 180.251 1.226 10 0 ADAEMP CC(C)[C@@H](C)[C@H](C[NH3+])[NH+]1CCC1 308081308 572634490 /nfs/dbraw/zinc/63/44/90/572634490.db2.gz JIDVEBITYMIXFP-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C/C=C/C[NH3+] 85054795 572634504 /nfs/dbraw/zinc/63/45/04/572634504.db2.gz YOCKMGYEYGKKOK-BRAIEQGRSA-N 2 1 170.300 1.479 10 0 ADAEMP CC[C@H](C[NH2+][C@H](C)C[NH3+])CC(C)C 308081644 572634564 /nfs/dbraw/zinc/63/45/64/572634564.db2.gz QXOARFUPSABWMS-MNOVXSKESA-N 2 1 186.343 1.996 10 0 ADAEMP CCC[N@@H+](C/C=C/C[NH3+])C1CC1 85054786 572634577 /nfs/dbraw/zinc/63/45/77/572634577.db2.gz ILUOJHHRUNTAHE-ONEGZZNKSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@H]1CCC[N@@H+](C/C=C/C[NH3+])C1 85054824 572634680 /nfs/dbraw/zinc/63/46/80/572634680.db2.gz CVTPEGNUWXNXRA-UFFNRZRYSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C/C=C/C[NH3+] 85054796 572635315 /nfs/dbraw/zinc/63/53/15/572635315.db2.gz YOCKMGYEYGKKOK-PORFMDCZSA-N 2 1 170.300 1.479 10 0 ADAEMP C[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])CC1 235274427 572634794 /nfs/dbraw/zinc/63/47/94/572634794.db2.gz JDCXUOQKNMPHLY-MXWKQRLJSA-N 2 1 184.327 1.892 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1ccccn1 85054814 572634857 /nfs/dbraw/zinc/63/48/57/572634857.db2.gz BRSZPDCVGDNKRM-HWKANZROSA-N 2 1 191.278 1.028 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])C[C@H]1CCCCO1 85054887 572634885 /nfs/dbraw/zinc/63/48/85/572634885.db2.gz BEOMJKOOCZWJMA-PGLGOXFNSA-N 2 1 198.310 1.002 10 0 ADAEMP CC[C@H](C[NH2+][C@@H](C)C[NH3+])CC(C)C 308081645 572634992 /nfs/dbraw/zinc/63/49/92/572634992.db2.gz QXOARFUPSABWMS-QWRGUYRKSA-N 2 1 186.343 1.996 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1C/C=C/C[NH3+] 85054781 572635061 /nfs/dbraw/zinc/63/50/61/572635061.db2.gz KRCMSRQEWQLXRZ-DUMNWFOQSA-N 2 1 182.311 1.766 10 0 ADAEMP CCC[N@@H+](C/C=C/C[NH3+])C(C)C 85054785 572635156 /nfs/dbraw/zinc/63/51/56/572635156.db2.gz OMQIBPFYJUBNLJ-AATRIKPKSA-N 2 1 170.300 1.622 10 0 ADAEMP CC(C)[C@H](C)[C@H](C[NH3+])[NH+]1CCC1 308081306 572635210 /nfs/dbraw/zinc/63/52/10/572635210.db2.gz JIDVEBITYMIXFP-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])C1CCCCC1 85054762 572635224 /nfs/dbraw/zinc/63/52/24/572635224.db2.gz XRDPYONYQLVBSM-AATRIKPKSA-N 2 1 182.311 1.766 10 0 ADAEMP C[C@@H]1CC[C@@H]2[C@@H](C[NH3+])C[N@@H+](C)C[C@H]2C1 251773441 572635229 /nfs/dbraw/zinc/63/52/29/572635229.db2.gz KURHONZEZBDUDP-WYUUTHIRSA-N 2 1 196.338 1.559 10 0 ADAEMP CCC[N@@H+](C/C=C/C[NH3+])CC1CC1 85054800 572635560 /nfs/dbraw/zinc/63/55/60/572635560.db2.gz BMGMJGAXFRHDEY-ONEGZZNKSA-N 2 1 182.311 1.623 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C/C=C/C[NH3+] 85054815 572635689 /nfs/dbraw/zinc/63/56/89/572635689.db2.gz HWFGNGJJSDSGQV-NWALNABHSA-N 2 1 168.284 1.232 10 0 ADAEMP CC[N@@H+](C/C=C/C[NH3+])CC(C)C 85054791 572635773 /nfs/dbraw/zinc/63/57/73/572635773.db2.gz XZTSTZLAGNQFKH-AATRIKPKSA-N 2 1 170.300 1.479 10 0 ADAEMP CC[C@@H](C[NH2+][C@H](C)C[NH3+])CC(C)C 308081643 572635808 /nfs/dbraw/zinc/63/58/08/572635808.db2.gz QXOARFUPSABWMS-GHMZBOCLSA-N 2 1 186.343 1.996 10 0 ADAEMP CCCC[N@@H+](C)C/C=C/C[NH3+] 85054749 572635835 /nfs/dbraw/zinc/63/58/35/572635835.db2.gz AQJPXKTWHGKDLQ-AATRIKPKSA-N 2 1 156.273 1.233 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2CC[N@H+]1C(C)C 251761760 572637043 /nfs/dbraw/zinc/63/70/43/572637043.db2.gz VIJWKNSRULBDRB-UTUOFQBUSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)CC[N@@H+](C)C/C=C/C[NH3+] 85054880 572635999 /nfs/dbraw/zinc/63/59/99/572635999.db2.gz SPGMTLGBHXDVNJ-SNAWJCMRSA-N 2 1 170.300 1.479 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1cccs1 85054803 572636022 /nfs/dbraw/zinc/63/60/22/572636022.db2.gz PDWLLXQVQOHLIF-NSCUHMNNSA-N 2 1 196.319 1.695 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054821 572637048 /nfs/dbraw/zinc/63/70/48/572637048.db2.gz XQBDVCKIKXWJHA-PORFMDCZSA-N 2 1 170.300 1.622 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1C/C=C/C[NH3+] 85054782 572636081 /nfs/dbraw/zinc/63/60/81/572636081.db2.gz KRCMSRQEWQLXRZ-MALLOTDXSA-N 2 1 182.311 1.766 10 0 ADAEMP C[C@@H]1CC[C@@H]2[C@H](C[NH3+])C[N@@H+](C)C[C@@H]2C1 251773437 572636102 /nfs/dbraw/zinc/63/61/02/572636102.db2.gz KURHONZEZBDUDP-KXNHARMFSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@@H]1C[C@@H]2CCC[NH2+][C@@H]2[C@@H](C)[N@@H+]1C 251758204 572636161 /nfs/dbraw/zinc/63/61/61/572636161.db2.gz DMHGTCGAUQNQFM-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]2CCC[NH2+][C@@H]2[C@@H](C)[N@H+]1C 251758204 572636167 /nfs/dbraw/zinc/63/61/67/572636167.db2.gz DMHGTCGAUQNQFM-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP CC(C)[C@@H](C)[C@@H](C[NH3+])[NH+]1CCC1 308081305 572636252 /nfs/dbraw/zinc/63/62/52/572636252.db2.gz JIDVEBITYMIXFP-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](C/C=C/C[NH3+])C1 85054823 572636298 /nfs/dbraw/zinc/63/62/98/572636298.db2.gz CVTPEGNUWXNXRA-PGLGOXFNSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[C@@H]1CO[C@H](C)C[N@H+]1C/C=C/C[NH3+] 85054876 572636311 /nfs/dbraw/zinc/63/63/11/572636311.db2.gz NICIJAQPWGYHPT-XKFHPXPTSA-N 2 1 198.310 1.001 10 0 ADAEMP Cc1occc1C[N@@H+](C)C/C=C/C[NH3+] 85054875 572636389 /nfs/dbraw/zinc/63/63/89/572636389.db2.gz BOPVNUFSTKWKKH-ONEGZZNKSA-N 2 1 194.278 1.535 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C/C=C/C[NH3+] 85054847 572636399 /nfs/dbraw/zinc/63/63/99/572636399.db2.gz SRDCUWGSCLCQKB-FSIBCCDJSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054818 572636404 /nfs/dbraw/zinc/63/64/04/572636404.db2.gz ZBLCZCOZQJYWPF-PORFMDCZSA-N 2 1 170.300 1.478 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2CC[N@H+]1C(C)C 251761758 572636429 /nfs/dbraw/zinc/63/64/29/572636429.db2.gz VIJWKNSRULBDRB-IJLUTSLNSA-N 2 1 196.338 1.857 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1ccncc1 85054813 572637062 /nfs/dbraw/zinc/63/70/62/572637062.db2.gz PNEAKSHMDGKAST-NSCUHMNNSA-N 2 1 191.278 1.028 10 0 ADAEMP CC[C@@H]1[C@H]([NH3+])CC[N@H+](C)[C@@H]1C 251760671 572636627 /nfs/dbraw/zinc/63/66/27/572636627.db2.gz VFUHKAZDHFTRFE-HRDYMLBCSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]1[C@H](C)[N@@H+](C)CC[C@H]1[NH3+] 251760674 572636803 /nfs/dbraw/zinc/63/68/03/572636803.db2.gz VFUHKAZDHFTRFE-XHNCKOQMSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[C@@H](C[NH3+])[NH+]1CCC1 308081307 572636831 /nfs/dbraw/zinc/63/68/31/572636831.db2.gz JIDVEBITYMIXFP-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[N@@H+](C/C=C/C[NH3+])C[C@H]1CCCO1 85054890 572636849 /nfs/dbraw/zinc/63/68/49/572636849.db2.gz PQZWHZNIHLACLP-PGLGOXFNSA-N 2 1 198.310 1.002 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C)CC1 235273729 572636903 /nfs/dbraw/zinc/63/69/03/572636903.db2.gz JDCXUOQKNMPHLY-VWYCJHECSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)C/C=C/C[NH3+] 85054793 572636908 /nfs/dbraw/zinc/63/69/08/572636908.db2.gz LUDYLHCYAHFZJT-FGEFZZPRSA-N 2 1 170.300 1.622 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054817 572636927 /nfs/dbraw/zinc/63/69/27/572636927.db2.gz ZBLCZCOZQJYWPF-BRAIEQGRSA-N 2 1 170.300 1.478 10 0 ADAEMP CC(C)C[N@@H+](C(C)C)C1CC([NH3+])C1 87653405 572637139 /nfs/dbraw/zinc/63/71/39/572637139.db2.gz KTBKVXDQTMMWSU-UHFFFAOYSA-N 2 1 184.327 1.843 10 0 ADAEMP CCC[N@@H+](CC)C/C=C/C[NH3+] 85054784 572637169 /nfs/dbraw/zinc/63/71/69/572637169.db2.gz STGVYMQWCIEURT-AATRIKPKSA-N 2 1 156.273 1.233 10 0 ADAEMP CCCC[N@@H+](CC)C/C=C/C[NH3+] 85054755 572637327 /nfs/dbraw/zinc/63/73/27/572637327.db2.gz NZFONGUIDAVESM-VOTSOKGWSA-N 2 1 170.300 1.623 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)C1CC([NH3+])C1 87653406 572637330 /nfs/dbraw/zinc/63/73/30/572637330.db2.gz VBQKNONPWBKHOX-UHFFFAOYSA-N 2 1 182.311 1.597 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1ccoc1 85054874 572637591 /nfs/dbraw/zinc/63/75/91/572637591.db2.gz CBSYREUTIIVEHW-NSCUHMNNSA-N 2 1 180.251 1.226 10 0 ADAEMP C[C@H]1CC[N@H+](C(C)(C)C)C[C@@H](C)N1 251806130 572637942 /nfs/dbraw/zinc/63/79/42/572637942.db2.gz YJJYMGMDGZLZPS-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)C1CC([NH3+])C1 87653402 572638035 /nfs/dbraw/zinc/63/80/35/572638035.db2.gz BNZDGQSOTRDLKO-WHXUTIOJSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]1CC[N@H+](C(C)(C)C)C[C@@H](C)N1 251806126 572638250 /nfs/dbraw/zinc/63/82/50/572638250.db2.gz YJJYMGMDGZLZPS-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@@H+](C/C=C/C[NH3+])CC1CC1 85055154 572638364 /nfs/dbraw/zinc/63/83/64/572638364.db2.gz CBTCQWFYKUGGNJ-ONEGZZNKSA-N 2 1 168.284 1.233 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C1CC([NH3+])C1 87653230 572638376 /nfs/dbraw/zinc/63/83/76/572638376.db2.gz KIRMWKUNMDZZCI-XNWIYYODSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)C1CC([NH3+])C1 87653200 572638419 /nfs/dbraw/zinc/63/84/19/572638419.db2.gz XOOIKLHASSFMLC-XNWIYYODSA-N 2 1 170.300 1.597 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C1CC([NH3+])C1 87653231 572638554 /nfs/dbraw/zinc/63/85/54/572638554.db2.gz KIRMWKUNMDZZCI-IDKOKCKLSA-N 2 1 170.300 1.597 10 0 ADAEMP CCCC[N@@H+](C1CC1)C1CC([NH3+])C1 87653334 572638575 /nfs/dbraw/zinc/63/85/75/572638575.db2.gz SLBSJQJRHMSIKW-UHFFFAOYSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C/C=C/C[NH3+] 85055157 572638635 /nfs/dbraw/zinc/63/86/35/572638635.db2.gz BZJPAOQKMGZJQY-VOTSOKGWSA-N 2 1 170.300 1.622 10 0 ADAEMP CCC[N@@H+](CC1CC1)C1CC([NH3+])C1 87653265 572638682 /nfs/dbraw/zinc/63/86/82/572638682.db2.gz LZEQDWDDIVFCHP-UHFFFAOYSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)C1CC([NH3+])C1 87653201 572638728 /nfs/dbraw/zinc/63/87/28/572638728.db2.gz XOOIKLHASSFMLC-IDKOKCKLSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@H+](Cc1ccco1)C1CC([NH3+])C1 87653311 572638841 /nfs/dbraw/zinc/63/88/41/572638841.db2.gz FSAINVSIMZUVHM-UHFFFAOYSA-N 2 1 194.278 1.591 10 0 ADAEMP CC[N@@H+](Cc1ccco1)C1CC([NH3+])C1 87653311 572638846 /nfs/dbraw/zinc/63/88/46/572638846.db2.gz FSAINVSIMZUVHM-UHFFFAOYSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CCCNCC1 70104334 572638955 /nfs/dbraw/zinc/63/89/55/572638955.db2.gz IVYDJZHQODOFGB-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1[NH2+]CCCC1(C)C 235279243 572639192 /nfs/dbraw/zinc/63/91/92/572639192.db2.gz UXRYAHMQLKOQEF-MXWKQRLJSA-N 2 1 196.338 1.763 10 0 ADAEMP CCC[N@@H+](C1CC1)C1CC([NH3+])C1 87653194 572639209 /nfs/dbraw/zinc/63/92/09/572639209.db2.gz PYICQUYOXGAPQL-UHFFFAOYSA-N 2 1 168.284 1.351 10 0 ADAEMP CCCC[N@@H+](CC)C1CC([NH3+])C1 87653165 572639475 /nfs/dbraw/zinc/63/94/75/572639475.db2.gz XOQBKQQNDVXKDT-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[N@@H+](C(C)C)C1CC([NH3+])C1 87653193 572639546 /nfs/dbraw/zinc/63/95/46/572639546.db2.gz UIZGMQKDBUWPNV-UHFFFAOYSA-N 2 1 170.300 1.597 10 0 ADAEMP CCO[C@H]1CCC[N@@H+](C/C=C/C[NH3+])C1 85054924 572639566 /nfs/dbraw/zinc/63/95/66/572639566.db2.gz QIOXLMYRDFTLRD-UFFNRZRYSA-N 2 1 198.310 1.002 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])CC1CCCC1 85055127 572639587 /nfs/dbraw/zinc/63/95/87/572639587.db2.gz BGZJFIIFAPMCHF-SNAWJCMRSA-N 2 1 182.311 1.623 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)C/C=C/C[NH3+] 85055150 572639607 /nfs/dbraw/zinc/63/96/07/572639607.db2.gz FUFNQBOQLHWVEI-OKWQPMOJSA-N 2 1 168.284 1.089 10 0 ADAEMP CCCc1[nH+]ccn1C/C=C/C[NH3+] 85055351 572639621 /nfs/dbraw/zinc/63/96/21/572639621.db2.gz FFXWOGINVAHKGP-ONEGZZNKSA-N 2 1 179.267 1.351 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])CC1CCC1 85055007 572639715 /nfs/dbraw/zinc/63/97/15/572639715.db2.gz SVZROJBCSSWYPH-NSCUHMNNSA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@@H]([N@@H+](C)C/C=C/C[NH3+])C(C)(C)C 85054947 572639725 /nfs/dbraw/zinc/63/97/25/572639725.db2.gz VFKYDMINNOSDME-VQCYPWCPSA-N 2 1 184.327 1.868 10 0 ADAEMP [NH3+]C/C=C/C[N@@H+](CC1CC1)C1CC1 85055196 572639755 /nfs/dbraw/zinc/63/97/55/572639755.db2.gz YRWSFEAYVOKXKJ-OWOJBTEDSA-N 2 1 180.295 1.376 10 0 ADAEMP CC[N@@H+](CC(C)C)C1CC([NH3+])C1 87653199 572639787 /nfs/dbraw/zinc/63/97/87/572639787.db2.gz VTCWNVRKYNXNSY-UHFFFAOYSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC(CC)[N@@H+](C)C1CC([NH3+])C1 87653229 572640035 /nfs/dbraw/zinc/64/00/35/572640035.db2.gz YNIZMRHBZPXNDE-UHFFFAOYSA-N 2 1 170.300 1.597 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+](C)C1CC([NH3+])C1 87653401 572640476 /nfs/dbraw/zinc/64/04/76/572640476.db2.gz BNZDGQSOTRDLKO-KPPDAEKUSA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)C[C@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054928 572640204 /nfs/dbraw/zinc/64/02/04/572640204.db2.gz LAIOMQWVJMWMJA-QRGHLMKCSA-N 2 1 184.327 1.868 10 0 ADAEMP CC(C)C[N@@H+](C/C=C/C[NH3+])C1CC1 85054926 572640218 /nfs/dbraw/zinc/64/02/18/572640218.db2.gz ABYYXVMJMPZAGM-ONEGZZNKSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)[N@@H+](C/C=C/C[NH3+])CC1CC1 85054932 572640301 /nfs/dbraw/zinc/64/03/01/572640301.db2.gz JXQCURZFQUGMGO-ONEGZZNKSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CCCN1C(=[NH2+])C1CC1 235278831 572640303 /nfs/dbraw/zinc/64/03/03/572640303.db2.gz PENYMDWDLUVNFH-SECBINFHSA-N 2 1 195.310 1.400 10 0 ADAEMP CC(C)C[N@@H+](C1CC1)C1CC([NH3+])C1 87653400 572640410 /nfs/dbraw/zinc/64/04/10/572640410.db2.gz BSUOEOSUMSJIBY-UHFFFAOYSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1C/C=C/C[NH3+] 85055233 572640429 /nfs/dbraw/zinc/64/04/29/572640429.db2.gz KTUGEFRMCXQNGR-PGLGOXFNSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C/C=C/C[NH3+] 85055147 572640852 /nfs/dbraw/zinc/64/08/52/572640852.db2.gz FUFNQBOQLHWVEI-HIHHVFROSA-N 2 1 168.284 1.089 10 0 ADAEMP C[C@H]([N@@H+](C)C/C=C/C[NH3+])C(C)(C)C 85054946 572640864 /nfs/dbraw/zinc/64/08/64/572640864.db2.gz VFKYDMINNOSDME-FGEFZZPRSA-N 2 1 184.327 1.868 10 0 ADAEMP [NH3+]C1CC([N@@H+](CC2CC2)C2CC2)C1 87653593 572640973 /nfs/dbraw/zinc/64/09/73/572640973.db2.gz OONOIMBJPVSJMO-UHFFFAOYSA-N 2 1 180.295 1.351 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+](C)C/C=C/C[NH3+] 85054927 572641113 /nfs/dbraw/zinc/64/11/13/572641113.db2.gz LAIOMQWVJMWMJA-MVIFTORASA-N 2 1 184.327 1.868 10 0 ADAEMP C[N@H+](C/C=C/C[NH3+])CCC(F)(F)F 85055220 572641133 /nfs/dbraw/zinc/64/11/33/572641133.db2.gz PXVGKPBLBUCDLN-NSCUHMNNSA-N 2 1 196.216 1.386 10 0 ADAEMP CC[C@H](C)C[N@@H+](CC)C1CC([NH3+])C1 87653646 572641247 /nfs/dbraw/zinc/64/12/47/572641247.db2.gz IGENNWYVZPRROP-WHXUTIOJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1C[C@]1([NH3+])C[C@H]1CCCC[N@H+]1C 251778411 572642578 /nfs/dbraw/zinc/64/25/78/572642578.db2.gz WPJCUZFGRBWCMX-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CCO[C@@H]1CCC[N@@H+](C/C=C/C[NH3+])C1 85054923 572641477 /nfs/dbraw/zinc/64/14/77/572641477.db2.gz QIOXLMYRDFTLRD-PGLGOXFNSA-N 2 1 198.310 1.002 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])CC(C)(C)C 85054968 572641519 /nfs/dbraw/zinc/64/15/19/572641519.db2.gz CCHPWDLSQLNGMV-AATRIKPKSA-N 2 1 170.300 1.479 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251795380 572641530 /nfs/dbraw/zinc/64/15/30/572641530.db2.gz NUCOTJPRQRNIHB-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H](C)C[N@@H+](CC)C1CC([NH3+])C1 87653645 572641542 /nfs/dbraw/zinc/64/15/42/572641542.db2.gz IGENNWYVZPRROP-KPPDAEKUSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@@H]([NH3+])C[C@H]2C[N@H+]1C 251786407 572641574 /nfs/dbraw/zinc/64/15/74/572641574.db2.gz FSWNWOZJPUBCSQ-DOLQZWNJSA-N 2 1 168.284 1.064 10 0 ADAEMP CCCC[N@@H+](C/C=C/C[NH3+])C1CC1 85054898 572641784 /nfs/dbraw/zinc/64/17/84/572641784.db2.gz PNWBUUIQOUZTHD-SNAWJCMRSA-N 2 1 182.311 1.766 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@H+]1C(C)C 251795350 572641816 /nfs/dbraw/zinc/64/18/16/572641816.db2.gz XSLABPBVYIMOOF-GMTAPVOTSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[N@@H+](C)CCN1CCCC1=[NH2+] 54127765 572642092 /nfs/dbraw/zinc/64/20/92/572642092.db2.gz JTSNWCLLTCLRMN-UHFFFAOYSA-N 2 1 169.272 1.011 10 0 ADAEMP CC[N@@H+](CC1CC1)C1CC([NH3+])C1 87653571 572642210 /nfs/dbraw/zinc/64/22/10/572642210.db2.gz XBACUGDBJRHJHP-UHFFFAOYSA-N 2 1 168.284 1.208 10 0 ADAEMP CSC[C@H](C)[N@@H+]1CCC[C@@H]1C[NH3+] 238373367 572642214 /nfs/dbraw/zinc/64/22/14/572642214.db2.gz MSGUDAFBLPYYMT-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CSC[C@H](C)[N@H+]1CCC[C@@H]1C[NH3+] 238373367 572642216 /nfs/dbraw/zinc/64/22/16/572642216.db2.gz MSGUDAFBLPYYMT-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@@H]([NH3+])CC[C@@H]12 251781066 572642246 /nfs/dbraw/zinc/64/22/46/572642246.db2.gz WDJDLQPNHNGUCY-RHYQMDGZSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@H]([NH3+])CC[C@H]12 251781069 572642252 /nfs/dbraw/zinc/64/22/52/572642252.db2.gz WDJDLQPNHNGUCY-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@H+]1C(C)C 251784662 572642319 /nfs/dbraw/zinc/64/23/19/572642319.db2.gz XBDVVYVCZOTBSN-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@H]([NH3+])CC[C@@H]12 251781057 572642371 /nfs/dbraw/zinc/64/23/71/572642371.db2.gz WDJDLQPNHNGUCY-KXNHARMFSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@H+]1C(C)C 251784660 572642509 /nfs/dbraw/zinc/64/25/09/572642509.db2.gz XBDVVYVCZOTBSN-GRYCIOLGSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCCC[C@@](C)(C[NH3+])[NH2+]CC 87648335 572642614 /nfs/dbraw/zinc/64/26/14/572642614.db2.gz KBIAFTSDWWXSRV-JTQLQIEISA-N 2 1 172.316 1.894 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@@H]([NH3+])C[C@@H]2C[N@H+]1C 251786412 572642863 /nfs/dbraw/zinc/64/28/63/572642863.db2.gz FSWNWOZJPUBCSQ-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)CC(N)=[NH2+])C1 48249842 572643129 /nfs/dbraw/zinc/64/31/29/572643129.db2.gz FUCGTNABPGOTJF-AEJSXWLSSA-N 2 1 197.326 1.679 10 0 ADAEMP CCCCC[C@](C)(C[NH3+])[NH2+]C 87648334 572643306 /nfs/dbraw/zinc/64/33/06/572643306.db2.gz CXYMBHIKOUFERI-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@@H]2C[N@H+]1C1CC1 251790892 572643283 /nfs/dbraw/zinc/64/32/83/572643283.db2.gz XLHSHVIBWKKRRQ-IEBDPFPHSA-N 2 1 180.295 1.221 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)CC[C@H]1C[NH3+] 251795378 572643409 /nfs/dbraw/zinc/64/34/09/572643409.db2.gz NUCOTJPRQRNIHB-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H]1C[C@@]1([NH3+])C[C@H]1CCCC[N@H+]1C 251778410 572643428 /nfs/dbraw/zinc/64/34/28/572643428.db2.gz WPJCUZFGRBWCMX-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@@H]([NH3+])CC[C@H]12 251781061 572643682 /nfs/dbraw/zinc/64/36/82/572643682.db2.gz WDJDLQPNHNGUCY-NOOOWODRSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@H]([NH3+])C[C@H]2C[N@H+]1C 251786410 572644218 /nfs/dbraw/zinc/64/42/18/572644218.db2.gz FSWNWOZJPUBCSQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CC[C@@H]2C[N@H+]1C1CC1 251790889 572644260 /nfs/dbraw/zinc/64/42/60/572644260.db2.gz XLHSHVIBWKKRRQ-FBIMIBRVSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1[C@@H](C)CC(N)=[NH2+] 48249654 572644497 /nfs/dbraw/zinc/64/44/97/572644497.db2.gz GOMUWDBJDQYNTC-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCCC[C@H]1C 48249651 572644504 /nfs/dbraw/zinc/64/45/04/572644504.db2.gz GOMUWDBJDQYNTC-BDAKNGLRSA-N 2 1 183.299 1.575 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)CC(N)=[NH2+] 48250342 572644523 /nfs/dbraw/zinc/64/45/23/572644523.db2.gz CRZKHEPQBBZURT-ZCFIWIBFSA-N 2 1 166.228 1.079 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H](C)CC(N)=[NH2+] 48249822 572645270 /nfs/dbraw/zinc/64/52/70/572645270.db2.gz YYVLZQOOCITSQX-ZETCQYMHSA-N 2 1 157.261 1.041 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)CC(N)=[NH2+] 48250338 572645323 /nfs/dbraw/zinc/64/53/23/572645323.db2.gz CRZKHEPQBBZURT-LURJTMIESA-N 2 1 166.228 1.079 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H](C)CC(N)=[NH2+])C1 48249677 572645644 /nfs/dbraw/zinc/64/56/44/572645644.db2.gz CTUXJHLVWJKNOL-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CCCCC[C@](C)(C[NH3+])[NH2+]CC 87648336 572645850 /nfs/dbraw/zinc/64/58/50/572645850.db2.gz KBIAFTSDWWXSRV-SNVBAGLBSA-N 2 1 172.316 1.894 10 0 ADAEMP CC[C@H](C)[C@H]([NH2+]C)[C@H]1CCC[N@@H+]1C 252019768 572646581 /nfs/dbraw/zinc/64/65/81/572646581.db2.gz XFDNOGZTNLQUCX-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[C@H]([NH2+]C)[C@H]1CCC[N@H+]1C 252019768 572646584 /nfs/dbraw/zinc/64/65/84/572646584.db2.gz XFDNOGZTNLQUCX-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C(C)C)C[C@H]1[NH3+] 251816460 572646913 /nfs/dbraw/zinc/64/69/13/572646913.db2.gz OXXJEJAUQFXXFH-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1CC[N@H+](C(C)C)C[C@H]1[NH3+] 251816460 572646915 /nfs/dbraw/zinc/64/69/15/572646915.db2.gz OXXJEJAUQFXXFH-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[C@H](C)C[NH3+])C1 250367618 572646928 /nfs/dbraw/zinc/64/69/28/572646928.db2.gz VCFLOJDTWBJRQM-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@@H](C[NH3+])C[C@@H]12 251801679 572646989 /nfs/dbraw/zinc/64/69/89/572646989.db2.gz YBCUKNNKVVTZFK-WYUUTHIRSA-N 2 1 196.338 1.559 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C[C@H](C)C[NH3+])C1 250367613 572647050 /nfs/dbraw/zinc/64/70/50/572647050.db2.gz VCFLOJDTWBJRQM-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CCC2(CC2)[C@@H](C)C1 251819486 572647167 /nfs/dbraw/zinc/64/71/67/572647167.db2.gz OWVQWFPGPAQDKG-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CCC2(CC2)[C@@H](C)C1 251819486 572647169 /nfs/dbraw/zinc/64/71/69/572647169.db2.gz OWVQWFPGPAQDKG-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)C[NH3+])CCC12CC2 251819482 572647696 /nfs/dbraw/zinc/64/76/96/572647696.db2.gz OWVQWFPGPAQDKG-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)C[NH3+])CCC12CC2 251819482 572647700 /nfs/dbraw/zinc/64/77/00/572647700.db2.gz OWVQWFPGPAQDKG-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](C)C1 251816871 572647865 /nfs/dbraw/zinc/64/78/65/572647865.db2.gz ZIUFGXKTBXXOML-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[C@@H]([NH2+]C)[C@H]1CCC[N@@H+]1C 252019769 572647878 /nfs/dbraw/zinc/64/78/78/572647878.db2.gz XFDNOGZTNLQUCX-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[C@@H]([NH2+]C)[C@H]1CCC[N@H+]1C 252019769 572647881 /nfs/dbraw/zinc/64/78/81/572647881.db2.gz XFDNOGZTNLQUCX-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]1CC[N@@H+](C(C)C)C[C@H]1[NH3+] 251816462 572647906 /nfs/dbraw/zinc/64/79/06/572647906.db2.gz OXXJEJAUQFXXFH-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H]1CC[N@H+](C(C)C)C[C@H]1[NH3+] 251816462 572647909 /nfs/dbraw/zinc/64/79/09/572647909.db2.gz OXXJEJAUQFXXFH-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CCCCC[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 70144649 572648130 /nfs/dbraw/zinc/64/81/30/572648130.db2.gz JLMBROJIYMFSAY-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](C)C1 251816869 572648718 /nfs/dbraw/zinc/64/87/18/572648718.db2.gz ZIUFGXKTBXXOML-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@H]1[N@H+]1CC[C@H](C)C1 251816867 572648814 /nfs/dbraw/zinc/64/88/14/572648814.db2.gz ZIUFGXKTBXXOML-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@@H](C[NH3+])C[C@H]12 251801673 572649330 /nfs/dbraw/zinc/64/93/30/572649330.db2.gz YBCUKNNKVVTZFK-WISYIIOYSA-N 2 1 196.338 1.559 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](C)C1 251816864 572649437 /nfs/dbraw/zinc/64/94/37/572649437.db2.gz ZIUFGXKTBXXOML-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@H](C[NH3+])C[C@H]12 251801666 572649586 /nfs/dbraw/zinc/64/95/86/572649586.db2.gz YBCUKNNKVVTZFK-NOOOWODRSA-N 2 1 196.338 1.559 10 0 ADAEMP CCSCC[C@H](C)[NH2+]CC[NH3+] 307855457 572650918 /nfs/dbraw/zinc/65/09/18/572650918.db2.gz DJQKAKNYNGCLJJ-QMMMGPOBSA-N 2 1 176.329 1.066 10 0 ADAEMP C[NH2+]C[C@H]1C[C@H]1c1[nH+]cc(C)n1C 713445322 572651447 /nfs/dbraw/zinc/65/14/47/572651447.db2.gz UXIHVWZRTSSTOM-RKDXNWHRSA-N 2 1 179.267 1.051 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[NH3+])C2)C1 251838196 572652092 /nfs/dbraw/zinc/65/20/92/572652092.db2.gz QODMCAPBJNEOKN-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)N1CCC[C@](C)([NH3+])C1 251844989 572652070 /nfs/dbraw/zinc/65/20/70/572652070.db2.gz MAJGTVPSBXZKCG-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]1C[N@H+](C)C[C@H](C)[C@H]1CC[NH3+] 251822588 572652744 /nfs/dbraw/zinc/65/27/44/572652744.db2.gz ZYEWPZSYZMTFKZ-MYJAWHEDSA-N 2 1 170.300 1.169 10 0 ADAEMP CC[C@H](C)[C@H]1CCC[N@H+](C)C[C@H]1[NH3+] 252026620 572652863 /nfs/dbraw/zinc/65/28/63/572652863.db2.gz YKFWDGXZBJYAGT-HBNTYKKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 252026620 572652866 /nfs/dbraw/zinc/65/28/66/572652866.db2.gz YKFWDGXZBJYAGT-HBNTYKKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@@H]1CCC[N@H+](C)C[C@H]1[NH3+] 252026619 572653028 /nfs/dbraw/zinc/65/30/28/572653028.db2.gz YKFWDGXZBJYAGT-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@@H]1CCC[N@@H+](C)C[C@H]1[NH3+] 252026619 572653032 /nfs/dbraw/zinc/65/30/32/572653032.db2.gz YKFWDGXZBJYAGT-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[NH3+])C2)C1 251838192 572653069 /nfs/dbraw/zinc/65/30/69/572653069.db2.gz QODMCAPBJNEOKN-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[NH2+]CC[N@H+]2CCCC[C@@H]12 251881268 572655871 /nfs/dbraw/zinc/65/58/71/572655871.db2.gz UVBVEEGBVHZMHM-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H](C)N1CCC[C@](C)([NH3+])C1 251844991 572653208 /nfs/dbraw/zinc/65/32/08/572653208.db2.gz MAJGTVPSBXZKCG-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@@H]1c1[nH+]cc(C)n1C 713445026 572653915 /nfs/dbraw/zinc/65/39/15/572653915.db2.gz UXIHVWZRTSSTOM-IUCAKERBSA-N 2 1 179.267 1.051 10 0 ADAEMP C[NH2+]C[C@H]1C[C@@H]1c1[nH+]cc(C)n1C 713445019 572653947 /nfs/dbraw/zinc/65/39/47/572653947.db2.gz UXIHVWZRTSSTOM-BDAKNGLRSA-N 2 1 179.267 1.051 10 0 ADAEMP C[C@@H]1C[NH2+]CC[N@H+]2CCCC[C@@H]12 251881270 572654553 /nfs/dbraw/zinc/65/45/53/572654553.db2.gz UVBVEEGBVHZMHM-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[N@@H+](C)C[C@H]2CCCC[C@H]2[NH2+]1 251898441 572654756 /nfs/dbraw/zinc/65/47/56/572654756.db2.gz WFDHDDXEXFYNDK-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@H]1c1[nH+]cc(C)n1C 713445022 572655425 /nfs/dbraw/zinc/65/54/25/572655425.db2.gz UXIHVWZRTSSTOM-DTWKUNHWSA-N 2 1 179.267 1.051 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 252029885 572655692 /nfs/dbraw/zinc/65/56/92/572655692.db2.gz ZBFVNCGYTHDZDY-LPEHRKFASA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1C[N@@H+](C)C[C@@H]2CCCC[C@H]2[NH2+]1 251898445 572656633 /nfs/dbraw/zinc/65/66/33/572656633.db2.gz WFDHDDXEXFYNDK-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]2CCCC[C@H]2[N@H+]1C 251916727 572656830 /nfs/dbraw/zinc/65/68/30/572656830.db2.gz XPPDGLUUNYPOPI-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1CC1CC1 74332694 572657616 /nfs/dbraw/zinc/65/76/16/572657616.db2.gz ZWINYVGYTGHNGD-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[N@H+](CC[NH3+])C[C@@H](C)C12CC2 251915756 572657213 /nfs/dbraw/zinc/65/72/13/572657213.db2.gz YBITZMHKGBAVSU-GHMZBOCLSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC[NH3+])C[C@@H](C)C12CC2 251915756 572657219 /nfs/dbraw/zinc/65/72/19/572657219.db2.gz YBITZMHKGBAVSU-GHMZBOCLSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]2CCCC[C@H]2[N@H+]1C 251916729 572657326 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170.300 1.454 10 0 ADAEMP CC[C@H](C)[N@@H+]1CC[C@](C)([NH2+]C)C1 252033247 572662846 /nfs/dbraw/zinc/66/28/46/572662846.db2.gz ZRYAELZOPSDDKU-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@](C)([NH2+]C)C1 252033247 572662850 /nfs/dbraw/zinc/66/28/50/572662850.db2.gz ZRYAELZOPSDDKU-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]1C[N@H+](C[C@H](C)[NH3+])CCC12CC2 251922086 572662892 /nfs/dbraw/zinc/66/28/92/572662892.db2.gz YOBDEPBGFVNKBP-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1C[N@@H+](C[C@H](C)[NH3+])CCC12CC2 251922086 572662897 /nfs/dbraw/zinc/66/28/97/572662897.db2.gz YOBDEPBGFVNKBP-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C 251952535 572663006 /nfs/dbraw/zinc/66/30/06/572663006.db2.gz URBMWTRHWRHSJC-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H](CC[NH3+])C1CC1 250550476 572663133 /nfs/dbraw/zinc/66/31/33/572663133.db2.gz ADISOWAJQKWNPT-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP 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C[C@@H]1C[C@@H]2C[N@@H+](C)[C@H](C)C[C@H]2[NH2+]1 252112950 572664907 /nfs/dbraw/zinc/66/49/07/572664907.db2.gz JUFKSCZOZGRRSP-ZYUZMQFOSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](CC[NH3+])C1 252096852 572665295 /nfs/dbraw/zinc/66/52/95/572665295.db2.gz FPGSDPGDDZZPOD-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+]1C[C@H](CC2CC2)C[C@@H]([NH2+]C)C1 250251956 572665651 /nfs/dbraw/zinc/66/56/51/572665651.db2.gz IQFZVUPGKYTKRV-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1C[C@H](CC2CC2)C[C@@H]([NH2+]C)C1 250251956 572665656 /nfs/dbraw/zinc/66/56/56/572665656.db2.gz IQFZVUPGKYTKRV-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)CC[NH+]1CC=CC1 308087705 572666230 /nfs/dbraw/zinc/66/62/30/572666230.db2.gz QAHMQDUUUQBINU-JTQLQIEISA-N 2 1 168.284 1.246 10 0 ADAEMP CCCCC[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893558 572669587 /nfs/dbraw/zinc/66/95/87/572669587.db2.gz MGXCEAIKLPWMEJ-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP 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C[C@@H]1C[C@H]2[C@@H](CCCC[N@H+]2C)[NH2+]1 252201859 572667049 /nfs/dbraw/zinc/66/70/49/572667049.db2.gz WLJHRQYPFRWPEE-BBBLOLIVSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]2CC[N@@H+](C)CC[C@H]2[NH2+]1 252175731 572667146 /nfs/dbraw/zinc/66/71/46/572667146.db2.gz RZACDENGNOSREP-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1CC[NH3+] 252220638 572667294 /nfs/dbraw/zinc/66/72/94/572667294.db2.gz YYDYIUNRQRPAPX-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C/C=C\C[NH3+])C1 308088679 572667299 /nfs/dbraw/zinc/66/72/99/572667299.db2.gz HGDACUKCKAFRQF-DLRQAJBASA-N 2 1 182.311 1.623 10 0 ADAEMP C[C@@H]1C[C@@]1([NH3+])CC[C@H]1CCCC[N@H+]1C 252212578 572667306 /nfs/dbraw/zinc/66/73/06/572667306.db2.gz YMADTPILCIFEAA-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[NH3+])C1 252124101 572667312 /nfs/dbraw/zinc/66/73/12/572667312.db2.gz JVAMVWSUEOMEAP-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP 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C[NH2+]C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 252187497 572667475 /nfs/dbraw/zinc/66/74/75/572667475.db2.gz RBMUJIRSLRPVML-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@H]2C[N@H+]1C 252174208 572667492 /nfs/dbraw/zinc/66/74/92/572667492.db2.gz RRWGTBUMVAZLRV-DBIOUOCHSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CC[N@@H+](C)[C@H](C)C1 252167951 572667505 /nfs/dbraw/zinc/66/75/05/572667505.db2.gz QSVSAOBUDCRTOK-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])CC1 235292789 572667530 /nfs/dbraw/zinc/66/75/30/572667530.db2.gz JDCXUOQKNMPHLY-GMTAPVOTSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@H]2CC[NH2+]C2)CC[N@H+]1C 252153060 572667538 /nfs/dbraw/zinc/66/75/38/572667538.db2.gz OUZWBBBQXOHEAM-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1CC[NH3+] 252220636 572667557 /nfs/dbraw/zinc/66/75/57/572667557.db2.gz YYDYIUNRQRPAPX-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C[N@H+]1C 252174209 572667631 /nfs/dbraw/zinc/66/76/31/572667631.db2.gz RRWGTBUMVAZLRV-GWOFURMSSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)C[C@@H]([NH3+])[C@H](C)[NH+](C)C 74342074 572667635 /nfs/dbraw/zinc/66/76/35/572667635.db2.gz XMJXZZPNMHDVQP-DTWKUNHWSA-N 2 1 158.289 1.310 10 0 ADAEMP C[C@@H]1C[C@@H]2[NH2+]CCC(C)(C)[C@H]2C[N@H+]1C 252206491 572667846 /nfs/dbraw/zinc/66/78/46/572667846.db2.gz XFSDOTXKOSJGQT-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]1 252139393 572667954 /nfs/dbraw/zinc/66/79/54/572667954.db2.gz LYZOLNKUOGREPO-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@@H+]1C[C@@H](CC2CC2)C[C@@H]([NH2+]C)C1 250251953 572667975 /nfs/dbraw/zinc/66/79/75/572667975.db2.gz IQFZVUPGKYTKRV-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1C[C@@H](CC2CC2)C[C@@H]([NH2+]C)C1 250251953 572667977 /nfs/dbraw/zinc/66/79/77/572667977.db2.gz IQFZVUPGKYTKRV-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@]1([NH3+])C[C@H]1CCC[N@@H+](C)C1 252213725 572668011 /nfs/dbraw/zinc/66/80/11/572668011.db2.gz YSYRGNDXSKHBFP-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[C@H]2CC[N@@H+](C)CC[C@H]2[NH2+]1 252175732 572668031 /nfs/dbraw/zinc/66/80/31/572668031.db2.gz RZACDENGNOSREP-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 252187499 572668166 /nfs/dbraw/zinc/66/81/66/572668166.db2.gz RBMUJIRSLRPVML-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CC[N@@H+](C)[C@@H](C)C1 252167953 572668276 /nfs/dbraw/zinc/66/82/76/572668276.db2.gz QSVSAOBUDCRTOK-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1[C@@H]2C[C@@H](C)[NH2+][C@@H]2CC[N@H+]1C 252214783 572668312 /nfs/dbraw/zinc/66/83/12/572668312.db2.gz YYKWERJSLBCOJK-XFWSIPNHSA-N 2 1 168.284 1.077 10 0 ADAEMP CC[C@H]1C[C@@H]([NH3+])C[C@@H](CC)[N@H+]1C 250252437 572668342 /nfs/dbraw/zinc/66/83/42/572668342.db2.gz TWBGTBQBZBBZOF-ILWJIGKKSA-N 2 1 170.300 1.597 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](CC[N@@H+](C)[C@@H]2C)[NH2+]1 252214782 572668368 /nfs/dbraw/zinc/66/83/68/572668368.db2.gz YYKWERJSLBCOJK-IMSYWVGJSA-N 2 1 168.284 1.077 10 0 ADAEMP CC[C@H]1C[C@H]([NH3+])C[C@@H](CC)[N@H+]1C 250252441 572668389 /nfs/dbraw/zinc/66/83/89/572668389.db2.gz TWBGTBQBZBBZOF-OWUUHHOZSA-N 2 1 170.300 1.597 10 0 ADAEMP CC(C)C[C@H]([NH3+])[C@H](C)[NH+](C)C 74342072 572668463 /nfs/dbraw/zinc/66/84/63/572668463.db2.gz XMJXZZPNMHDVQP-IUCAKERBSA-N 2 1 158.289 1.310 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C[N@H+]1C 252187590 572668525 /nfs/dbraw/zinc/66/85/25/572668525.db2.gz UNKOYHZOWZBTJO-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@H]([C@@H](C)[NH3+])C[C@@H](C)[N@@H+]1C 252210589 572668680 /nfs/dbraw/zinc/66/86/80/572668680.db2.gz YANIBCBKZXFENC-UTINFBMNSA-N 2 1 170.300 1.452 10 0 ADAEMP C[C@@H]1C[C@H]2C[N@@H+](C)CCC[C@H]2[NH2+]1 252146083 572668700 /nfs/dbraw/zinc/66/87/00/572668700.db2.gz NXTRMSYIDDXMES-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[NH3+])C1 252124102 572668721 /nfs/dbraw/zinc/66/87/21/572668721.db2.gz JVAMVWSUEOMEAP-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@@H]2C[C@H](C[NH3+])C[C@H]2C[N@H+]1C 252174210 572668908 /nfs/dbraw/zinc/66/89/08/572668908.db2.gz RRWGTBUMVAZLRV-YTWAJWBKSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1C[C@H](C)[N@@H+](C)[C@H](C)C1 252175975 572668862 /nfs/dbraw/zinc/66/88/62/572668862.db2.gz SAFWKLVYBWECOM-MMWGEVLESA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@H]2CCC[NH2+]2)CC[N@H+]1C 252131515 572668875 /nfs/dbraw/zinc/66/88/75/572668875.db2.gz MBEUKVGWVISKDR-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@H]2[C@@H](CC(C)(C)CC[N@@H+]2C)[NH2+]1 252128115 572668882 /nfs/dbraw/zinc/66/88/82/572668882.db2.gz LRLKWKZGMIAKHH-MXWKQRLJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@H]2[C@@H](CC(C)(C)CC[N@H+]2C)[NH2+]1 252128115 572668884 /nfs/dbraw/zinc/66/88/84/572668884.db2.gz LRLKWKZGMIAKHH-MXWKQRLJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@]1([NH3+])CC[C@H]1CCCC[N@H+]1C 252212577 572669011 /nfs/dbraw/zinc/66/90/11/572669011.db2.gz YMADTPILCIFEAA-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1CC[NH3+] 252220637 572669021 /nfs/dbraw/zinc/66/90/21/572669021.db2.gz YYDYIUNRQRPAPX-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@@H]2[NH2+]CCC[C@@H]2[C@@H](C)[N@H+]1C 252192476 572669171 /nfs/dbraw/zinc/66/91/71/572669171.db2.gz VCOJJTQIPMYNIG-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H]1C 252153277 572669219 /nfs/dbraw/zinc/66/92/19/572669219.db2.gz MVUFXONGMPEFMT-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CC[N@@H+](C)[C@@H](C)C1 252167949 572669441 /nfs/dbraw/zinc/66/94/41/572669441.db2.gz QSVSAOBUDCRTOK-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@@H](CC[N@@H+](C)[C@@H]2C)[NH2+]1 252214781 572669509 /nfs/dbraw/zinc/66/95/09/572669509.db2.gz YYKWERJSLBCOJK-DOLQZWNJSA-N 2 1 168.284 1.077 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C)C1 252187495 572669556 /nfs/dbraw/zinc/66/95/56/572669556.db2.gz RBMUJIRSLRPVML-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@@H](CCCC[N@@H+]2C)[NH2+]1 252201860 572669568 /nfs/dbraw/zinc/66/95/68/572669568.db2.gz WLJHRQYPFRWPEE-OPRDCNLKSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@@H](CCCC[N@H+]2C)[NH2+]1 252201860 572669571 /nfs/dbraw/zinc/66/95/71/572669571.db2.gz WLJHRQYPFRWPEE-OPRDCNLKSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@H]2[NH2+]C(C)(C)C[C@@H]2C[N@H+]1C 252183532 572669592 /nfs/dbraw/zinc/66/95/92/572669592.db2.gz TZAYKWYFIQRSTM-OPRDCNLKSA-N 2 1 182.311 1.467 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893558 572669593 /nfs/dbraw/zinc/66/95/93/572669593.db2.gz MGXCEAIKLPWMEJ-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@@H]1CC[C@@H]([NH3+])C[N@H+]1C 74342421 572673179 /nfs/dbraw/zinc/67/31/79/572673179.db2.gz VHHJQPNAPXRLKF-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CC[N@@H+](C)[C@H](C)C1 252167946 572669679 /nfs/dbraw/zinc/66/96/79/572669679.db2.gz QSVSAOBUDCRTOK-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP CCCC[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892640 572669680 /nfs/dbraw/zinc/66/96/80/572669680.db2.gz BSYFIYAECHOEIP-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[NH2+][C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 299893635 572669732 /nfs/dbraw/zinc/66/97/32/572669732.db2.gz NGRSPCSKHRCQMR-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[NH2+][C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 299893635 572669735 /nfs/dbraw/zinc/66/97/35/572669735.db2.gz NGRSPCSKHRCQMR-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C)C1 252187500 572669739 /nfs/dbraw/zinc/66/97/39/572669739.db2.gz RBMUJIRSLRPVML-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]2[NH2+]C(C)(C)C[C@@H]2C[N@H+]1C 252183530 572669784 /nfs/dbraw/zinc/66/97/84/572669784.db2.gz TZAYKWYFIQRSTM-BBBLOLIVSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]2[NH2+]CCC[C@H]2[C@@H](C)[N@H+]1C 252192477 572669797 /nfs/dbraw/zinc/66/97/97/572669797.db2.gz VCOJJTQIPMYNIG-ZNSHCXBVSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]1 252139394 572669926 /nfs/dbraw/zinc/66/99/26/572669926.db2.gz LYZOLNKUOGREPO-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C/C=C\C[NH3+])C1 308088677 572669938 /nfs/dbraw/zinc/66/99/38/572669938.db2.gz HGDACUKCKAFRQF-BYCRGOAPSA-N 2 1 182.311 1.623 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H]1C 252153275 572669996 /nfs/dbraw/zinc/66/99/96/572669996.db2.gz MVUFXONGMPEFMT-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@H]2[NH2+]CCC(C)(C)[C@H]2C[N@H+]1C 252206365 572670010 /nfs/dbraw/zinc/67/00/10/572670010.db2.gz XFSDOTXKOSJGQT-OUAUKWLOSA-N 2 1 196.338 1.715 10 0 ADAEMP C1C[NH2+][C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 299893636 572670161 /nfs/dbraw/zinc/67/01/61/572670161.db2.gz NGRSPCSKHRCQMR-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[NH2+][C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 299893636 572670163 /nfs/dbraw/zinc/67/01/63/572670163.db2.gz NGRSPCSKHRCQMR-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H]1[C@@H]([NH3+])CC[N@H+](C)[C@H]1C 74342443 572673221 /nfs/dbraw/zinc/67/32/21/572673221.db2.gz VFUHKAZDHFTRFE-CIUDSAMLSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H]1C 252153278 572670215 /nfs/dbraw/zinc/67/02/15/572670215.db2.gz MVUFXONGMPEFMT-WOPDTQHZSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299892685 572670456 /nfs/dbraw/zinc/67/04/56/572670456.db2.gz CHRGATNBLZDKGF-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCSC(N)=[NH2+] 238400681 572670773 /nfs/dbraw/zinc/67/07/73/572670773.db2.gz UIGICGWGKRPSTD-SSDOTTSWSA-N 2 1 187.312 1.097 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C)C[C@H]1C 252709572 572673261 /nfs/dbraw/zinc/67/32/61/572673261.db2.gz DFUPLCBSYRUJHQ-WHOHXGKFSA-N 2 1 196.338 1.857 10 0 ADAEMP C1CCC([N@H+]2C[C@@H]3CCC[NH2+][C@H]3C2)C1 299893124 572670906 /nfs/dbraw/zinc/67/09/06/572670906.db2.gz IJHLDCFJHKMUJM-JQWIXIFHSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@@H](C[NH3+])C1CCCC1 235293026 572671248 /nfs/dbraw/zinc/67/12/48/572671248.db2.gz MDCBFWSRVPVRDC-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H](C[NH3+])C1CCCC1 235293026 572671251 /nfs/dbraw/zinc/67/12/51/572671251.db2.gz MDCBFWSRVPVRDC-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[C@@H]1C[C@H]([NH3+])C[N@H+](C)C1 74342411 572671676 /nfs/dbraw/zinc/67/16/76/572671676.db2.gz FXUFMXLSKRRRGT-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892687 572671421 /nfs/dbraw/zinc/67/14/21/572671421.db2.gz CHRGATNBLZDKGF-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC[C@@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74342411 572671681 /nfs/dbraw/zinc/67/16/81/572671681.db2.gz FXUFMXLSKRRRGT-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893557 572671488 /nfs/dbraw/zinc/67/14/88/572671488.db2.gz MGXCEAIKLPWMEJ-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C 74342429 572671489 /nfs/dbraw/zinc/67/14/89/572671489.db2.gz PNNHAVLTQLXHOF-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893557 572671490 /nfs/dbraw/zinc/67/14/90/572671490.db2.gz MGXCEAIKLPWMEJ-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@@H]1CC[C@H]([NH3+])C[N@H+]1C 74342419 572671511 /nfs/dbraw/zinc/67/15/11/572671511.db2.gz VHHJQPNAPXRLKF-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299892639 572671556 /nfs/dbraw/zinc/67/15/56/572671556.db2.gz BSYFIYAECHOEIP-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCCC[NH2+]CC1(C)C 74342431 572671857 /nfs/dbraw/zinc/67/18/57/572671857.db2.gz NOGMRSCHSAPKMR-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP CCC[C@@H]1C[C@H]([NH3+])CC[N@H+]1C 74342427 572672037 /nfs/dbraw/zinc/67/20/37/572672037.db2.gz PNNHAVLTQLXHOF-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H]1C[C@@H]([NH3+])CC[N@H+]1C 74342430 572672252 /nfs/dbraw/zinc/67/22/52/572672252.db2.gz PNNHAVLTQLXHOF-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@H]1[C@@H]([NH3+])CC[N@H+](C)[C@@H]1C 74342445 572672382 /nfs/dbraw/zinc/67/23/82/572672382.db2.gz VFUHKAZDHFTRFE-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP C1CCC([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)C1 299893125 572672509 /nfs/dbraw/zinc/67/25/09/572672509.db2.gz IJHLDCFJHKMUJM-PWSUYJOCSA-N 2 1 194.322 1.613 10 0 ADAEMP CCC[C@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74342414 572672790 /nfs/dbraw/zinc/67/27/90/572672790.db2.gz FXUFMXLSKRRRGT-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[C@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74342414 572672792 /nfs/dbraw/zinc/67/27/92/572672792.db2.gz FXUFMXLSKRRRGT-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299892686 572672909 /nfs/dbraw/zinc/67/29/09/572672909.db2.gz CHRGATNBLZDKGF-SRVKXCTJSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@H+]1CC[C@@](C[NH3+])(CC(C)(C)C)C1 107130663 572672950 /nfs/dbraw/zinc/67/29/50/572672950.db2.gz LOCHCJCTZPDCHX-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@@]1(C[NH3+])CCC[N@@H+](C)CC1 107130640 572673421 /nfs/dbraw/zinc/67/34/21/572673421.db2.gz BPYZBXCVRGGLIP-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C)CC1 74342435 572673508 /nfs/dbraw/zinc/67/35/08/572673508.db2.gz QIMQIQRNCBEHCE-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@]1(CC[NH3+])CCC[N@@H+](C)CC1 107130679 572673516 /nfs/dbraw/zinc/67/35/16/572673516.db2.gz DYCYFUAANYZUQM-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CCC[C@H]1C[C@H]([NH3+])C[N@H+](C)C1 74342412 572673591 /nfs/dbraw/zinc/67/35/91/572673591.db2.gz FXUFMXLSKRRRGT-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[C@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74342412 572673594 /nfs/dbraw/zinc/67/35/94/572673594.db2.gz FXUFMXLSKRRRGT-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894289 572673783 /nfs/dbraw/zinc/67/37/83/572673783.db2.gz VIXVXXWBGFKQJL-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 74342432 572673785 /nfs/dbraw/zinc/67/37/85/572673785.db2.gz QIMQIQRNCBEHCE-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1(C)CCC1 235290676 572673986 /nfs/dbraw/zinc/67/39/86/572673986.db2.gz VUNIWVSLINREJP-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H]1CC[C@@H]([NH3+])C[N@H+]1C 74342422 572673998 /nfs/dbraw/zinc/67/39/98/572673998.db2.gz VHHJQPNAPXRLKF-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)(C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894296 572674073 /nfs/dbraw/zinc/67/40/73/572674073.db2.gz VLOLOKBFPPAULC-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)C[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894296 572674077 /nfs/dbraw/zinc/67/40/77/572674077.db2.gz VLOLOKBFPPAULC-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@H]1C[C@H]([NH3+])CC[N@H+]1C 74342428 572674124 /nfs/dbraw/zinc/67/41/24/572674124.db2.gz PNNHAVLTQLXHOF-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP Cc1ccc(NC[C@H](C)CC[NH3+])[nH+]c1 85131058 572674631 /nfs/dbraw/zinc/67/46/31/572674631.db2.gz QKKRWTIJHQMMFT-SNVBAGLBSA-N 2 1 193.294 1.787 10 0 ADAEMP CC(C)[C@]1(C[NH3+])CCC[N@@H+](C)CC1 107130637 572674286 /nfs/dbraw/zinc/67/42/86/572674286.db2.gz BPYZBXCVRGGLIP-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CC[C@](C[NH3+])(CC(C)(C)C)C1 107130665 572674468 /nfs/dbraw/zinc/67/44/68/572674468.db2.gz LOCHCJCTZPDCHX-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)CC1 74342433 572674551 /nfs/dbraw/zinc/67/45/51/572674551.db2.gz QIMQIQRNCBEHCE-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP Cc1ccc[nH+]c1NC[C@@H](C)CC[NH3+] 85130861 572675363 /nfs/dbraw/zinc/67/53/63/572675363.db2.gz SNTJZWLNKBXLHQ-VIFPVBQESA-N 2 1 193.294 1.787 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894288 572675684 /nfs/dbraw/zinc/67/56/84/572675684.db2.gz VIXVXXWBGFKQJL-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894295 572676352 /nfs/dbraw/zinc/67/63/52/572676352.db2.gz VLOLOKBFPPAULC-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894295 572676353 /nfs/dbraw/zinc/67/63/53/572676353.db2.gz VLOLOKBFPPAULC-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[NH2+][C@H]2C[N@H+](CC3CC3)C[C@@H]2C1 299894014 572675943 /nfs/dbraw/zinc/67/59/43/572675943.db2.gz RLPGSHYWRQUEOW-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+][C@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 299894014 572675947 /nfs/dbraw/zinc/67/59/47/572675947.db2.gz RLPGSHYWRQUEOW-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP Cc1ccc(NC[C@@H](C)CC[NH3+])[nH+]c1 85131056 572676922 /nfs/dbraw/zinc/67/69/22/572676922.db2.gz QKKRWTIJHQMMFT-JTQLQIEISA-N 2 1 193.294 1.787 10 0 ADAEMP CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893693 572677112 /nfs/dbraw/zinc/67/71/12/572677112.db2.gz NXOJGLMGOBBEPP-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCCC[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893693 572677118 /nfs/dbraw/zinc/67/71/18/572677118.db2.gz NXOJGLMGOBBEPP-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H](C)C[N@@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299894287 572677229 /nfs/dbraw/zinc/67/72/29/572677229.db2.gz VIXVXXWBGFKQJL-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1C[C@@H](CC2CC2)C[C@@H]([NH3+])C1 250367938 572677306 /nfs/dbraw/zinc/67/73/06/572677306.db2.gz VDVJTTZCQZLVJU-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@@H+]1C[C@@H](CC2CC2)C[C@@H]([NH3+])C1 250367938 572677307 /nfs/dbraw/zinc/67/73/07/572677307.db2.gz VDVJTTZCQZLVJU-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[NH2+]CCC[NH+]1CCC1 307866707 572679534 /nfs/dbraw/zinc/67/95/34/572679534.db2.gz GLLYDAQYSYEDRE-UHFFFAOYSA-N 2 1 156.273 1.082 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+](C)CCC1CC1 308093902 572680128 /nfs/dbraw/zinc/68/01/28/572680128.db2.gz WIWPRQQDFJEUOR-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+](C)CCC1CC1 308093902 572680135 /nfs/dbraw/zinc/68/01/35/572680135.db2.gz WIWPRQQDFJEUOR-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]CCCC1(C)C 235297811 572681166 /nfs/dbraw/zinc/68/11/66/572681166.db2.gz UXRYAHMQLKOQEF-VWYCJHECSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894458 572681539 /nfs/dbraw/zinc/68/15/39/572681539.db2.gz WTNIEXMWMYFVPA-USWWRNFRSA-N 2 1 194.322 1.469 10 0 ADAEMP CSCCC[NH2+]C(C)(C)C[NH3+] 307868617 572681699 /nfs/dbraw/zinc/68/16/99/572681699.db2.gz HTEWOLKKIHTOKT-UHFFFAOYSA-N 2 1 176.329 1.066 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894457 572683942 /nfs/dbraw/zinc/68/39/42/572683942.db2.gz WTNIEXMWMYFVPA-JLLWLGSASA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1[C@@H](C2CCCC2)[C@@H]([NH3+])CC[N@H+]1C 253483977 572684189 /nfs/dbraw/zinc/68/41/89/572684189.db2.gz CRDQHJJEWCCJGN-USWWRNFRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H](C1CC1)[N@@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299894459 572684261 /nfs/dbraw/zinc/68/42/61/572684261.db2.gz WTNIEXMWMYFVPA-YUSALJHKSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@](C)(C[NH3+])C2CC2)C1 253262516 572684568 /nfs/dbraw/zinc/68/45/68/572684568.db2.gz INGHBPGZGBUYTP-YUSALJHKSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@@H](C[NH3+])C[C@@H]2CC[N@H+]1C 253483693 572684574 /nfs/dbraw/zinc/68/45/74/572684574.db2.gz AKWRDCPMAPGSJB-RCWTZXSCSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)CC[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299894720 572684615 /nfs/dbraw/zinc/68/46/15/572684615.db2.gz ZOZAPASLZHREAI-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)CC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299894719 572684811 /nfs/dbraw/zinc/68/48/11/572684811.db2.gz ZOZAPASLZHREAI-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCC2)C1 253215951 572684942 /nfs/dbraw/zinc/68/49/42/572684942.db2.gz CRTVNNNMOLFOIM-ADEWGFFLSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@@H](C[NH3+])C[C@H]2CC[N@H+]1C 253483694 572685035 /nfs/dbraw/zinc/68/50/35/572685035.db2.gz AKWRDCPMAPGSJB-YTWAJWBKSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])C2CCC2)C1 253215952 572685122 /nfs/dbraw/zinc/68/51/22/572685122.db2.gz CRTVNNNMOLFOIM-YUSALJHKSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@H](C[NH3+])C[C@H]2CC[N@H+]1C 253483692 572685585 /nfs/dbraw/zinc/68/55/85/572685585.db2.gz AKWRDCPMAPGSJB-DBIOUOCHSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1[C@H](C2CCCC2)[C@@H]([NH3+])CC[N@H+]1C 253483976 572685646 /nfs/dbraw/zinc/68/56/46/572685646.db2.gz CRDQHJJEWCCJGN-ADEWGFFLSA-N 2 1 196.338 1.844 10 0 ADAEMP CCn1c[nH+]cc1CCCC[NH2+]C 85184337 572685829 /nfs/dbraw/zinc/68/58/29/572685829.db2.gz UYPLXZXQJSWQAL-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@](C)(C[NH3+])C2CC2)C1 253262515 572685918 /nfs/dbraw/zinc/68/59/18/572685918.db2.gz INGHBPGZGBUYTP-ADEWGFFLSA-N 2 1 196.338 1.892 10 0 ADAEMP CCn1c[nH+]cc1CCCC[NH3+] 85184336 572686295 /nfs/dbraw/zinc/68/62/95/572686295.db2.gz RYRYOICKQFHASE-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP CC[NH2+]CCCCc1c[nH+]cn1CC 85184339 572686338 /nfs/dbraw/zinc/68/63/38/572686338.db2.gz HPUGVWAXKXFMPX-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP CCn1c[nH+]cc1CC[NH2+]C(C)(C)C 85184505 572686572 /nfs/dbraw/zinc/68/65/72/572686572.db2.gz KNFHKMHNJPQMMY-UHFFFAOYSA-N 2 1 195.310 1.834 10 0 ADAEMP CCn1c[nH+]cc1CC[C@@H](C)[NH3+] 85184522 572686635 /nfs/dbraw/zinc/68/66/35/572686635.db2.gz QNBDWNFTWPXXRU-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[NH+]1CCCCC1 235306312 572686718 /nfs/dbraw/zinc/68/67/18/572686718.db2.gz GENZBDCNVOWVDV-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252952602 572686775 /nfs/dbraw/zinc/68/67/75/572686775.db2.gz FXSSEVJGTOBYQK-GMTAPVOTSA-N 2 1 184.327 1.750 10 0 ADAEMP CCn1c[nH+]cc1CC[C@H](C)[NH3+] 85184523 572686781 /nfs/dbraw/zinc/68/67/81/572686781.db2.gz QNBDWNFTWPXXRU-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP C[C@H]1CCC[C@@]1(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252956264 572688606 /nfs/dbraw/zinc/68/86/06/572688606.db2.gz JGZSLBOGQVYGNH-KXNHARMFSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 252956260 572687200 /nfs/dbraw/zinc/68/72/00/572687200.db2.gz JGZSLBOGQVYGNH-DDHJBXDOSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C)[NH2+]1 66146947 572687288 /nfs/dbraw/zinc/68/72/88/572687288.db2.gz FZKQBWLDFZBHJC-ZJUUUORDSA-N 2 1 184.327 1.905 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147026 572687442 /nfs/dbraw/zinc/68/74/42/572687442.db2.gz GGAXNTDALKXXCN-UWVGGRQHSA-N 2 1 170.300 1.515 10 0 ADAEMP CC[C@@H](C)[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147328 572687467 /nfs/dbraw/zinc/68/74/67/572687467.db2.gz YCVADXWDXQNKRD-OUAUKWLOSA-N 2 1 184.327 1.905 10 0 ADAEMP CC[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147329 572687573 /nfs/dbraw/zinc/68/75/73/572687573.db2.gz YCVADXWDXQNKRD-GARJFASQSA-N 2 1 184.327 1.905 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+][C@](C)(C[NH3+])C1(C)CC1 252965921 572687601 /nfs/dbraw/zinc/68/76/01/572687601.db2.gz SHHUAJDXQIBVEH-CKYFFXLPSA-N 2 1 196.338 1.750 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252952604 572687606 /nfs/dbraw/zinc/68/76/06/572687606.db2.gz FXSSEVJGTOBYQK-OUAUKWLOSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147068 572687850 /nfs/dbraw/zinc/68/78/50/572687850.db2.gz YMMZCCHREMSBLB-NXEZZACHSA-N 2 1 170.300 1.517 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252960603 572687914 /nfs/dbraw/zinc/68/79/14/572687914.db2.gz NKQZBXXBKMNJMK-USZNOCQGSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+][C@](C)(C[NH3+])CC1CC1 253012219 572687931 /nfs/dbraw/zinc/68/79/31/572687931.db2.gz DCNNEQJOHDYWLX-JLLWLGSASA-N 2 1 196.338 1.750 10 0 ADAEMP CCC[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147062 572687995 /nfs/dbraw/zinc/68/79/95/572687995.db2.gz YMMZCCHREMSBLB-UWVGGRQHSA-N 2 1 170.300 1.517 10 0 ADAEMP CC[NH2+]CCc1c[nH+]cn1CC 85184499 572688015 /nfs/dbraw/zinc/68/80/15/572688015.db2.gz CDJIZPIIXPQHDX-UHFFFAOYSA-N 2 1 167.256 1.055 10 0 ADAEMP C[C@H]1CCC[C@H](C[NH2+]C(C)(C)C)[NH2+]1 66146945 572688116 /nfs/dbraw/zinc/68/81/16/572688116.db2.gz FZKQBWLDFZBHJC-VHSXEESVSA-N 2 1 184.327 1.905 10 0 ADAEMP CCn1c[nH+]cc1CC[NH2+]CC(C)C 85184507 572688194 /nfs/dbraw/zinc/68/81/94/572688194.db2.gz NOJCTPSIXDOAMO-UHFFFAOYSA-N 2 1 195.310 1.691 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252967934 572688378 /nfs/dbraw/zinc/68/83/78/572688378.db2.gz UVBJIOLRHDEFEW-KXUCPTDWSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@H](C)C1CC1 252918656 572688439 /nfs/dbraw/zinc/68/84/39/572688439.db2.gz ZHRXLOVWPBKTTF-NHCYSSNCSA-N 2 1 198.354 1.996 10 0 ADAEMP CCn1c[nH+]cc1CC[C@@H](C)[NH2+]C 85184525 572688478 /nfs/dbraw/zinc/68/84/78/572688478.db2.gz SVFLIQUOOOEIFR-SECBINFHSA-N 2 1 181.283 1.444 10 0 ADAEMP CCC[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147063 572688543 /nfs/dbraw/zinc/68/85/43/572688543.db2.gz YMMZCCHREMSBLB-VHSXEESVSA-N 2 1 170.300 1.517 10 0 ADAEMP CC[NH+](CC)C[C@H]1CCC[C@@H](C)[NH2+]1 66146934 572688696 /nfs/dbraw/zinc/68/86/96/572688696.db2.gz RAYSRMPYWSWMRW-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+]CCc1c[nH+]cn1CC 85184500 572688721 /nfs/dbraw/zinc/68/87/21/572688721.db2.gz KHNIFZZCBYBCOD-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP CCC(CC)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252955882 572688738 /nfs/dbraw/zinc/68/87/38/572688738.db2.gz JBLWMCRIFBWDFI-JLLWLGSASA-N 2 1 198.354 1.996 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252967935 572688849 /nfs/dbraw/zinc/68/88/49/572688849.db2.gz UVBJIOLRHDEFEW-OPRDCNLKSA-N 2 1 170.300 1.359 10 0 ADAEMP CCn1c[nH+]cc1CC[NH2+]C1CC1 85184503 572688920 /nfs/dbraw/zinc/68/89/20/572688920.db2.gz HSWCGJRLVQDYHZ-UHFFFAOYSA-N 2 1 179.267 1.198 10 0 ADAEMP CC[NH2+][C@H](C)CCc1c[nH+]cn1CC 85184531 572689100 /nfs/dbraw/zinc/68/91/00/572689100.db2.gz XYMWULQMVLZHFN-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252968908 572689203 /nfs/dbraw/zinc/68/92/03/572689203.db2.gz VRWOXKNZRDWKFR-VLEAKVRGSA-N 2 1 184.327 1.605 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147022 572689218 /nfs/dbraw/zinc/68/92/18/572689218.db2.gz GGAXNTDALKXXCN-VHSXEESVSA-N 2 1 170.300 1.515 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]1C 252968907 572689244 /nfs/dbraw/zinc/68/92/44/572689244.db2.gz VRWOXKNZRDWKFR-MMWGEVLESA-N 2 1 184.327 1.605 10 0 ADAEMP CCC(CC)[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252955883 572689293 /nfs/dbraw/zinc/68/92/93/572689293.db2.gz JBLWMCRIFBWDFI-USWWRNFRSA-N 2 1 198.354 1.996 10 0 ADAEMP CCn1c[nH+]cc1CC[NH2+]C(C)C 85184501 572689260 /nfs/dbraw/zinc/68/92/60/572689260.db2.gz JWTZYUCOGNOWDG-UHFFFAOYSA-N 2 1 181.283 1.444 10 0 ADAEMP CC[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147326 572689269 /nfs/dbraw/zinc/68/92/69/572689269.db2.gz YCVADXWDXQNKRD-DCAQKATOSA-N 2 1 184.327 1.905 10 0 ADAEMP CC[NH2+][C@@H](C)CCc1c[nH+]cn1CC 85184529 572689330 /nfs/dbraw/zinc/68/93/30/572689330.db2.gz XYMWULQMVLZHFN-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH3+])[NH2+]C[C@H](C)C1CC1 252918655 572689353 /nfs/dbraw/zinc/68/93/53/572689353.db2.gz ZHRXLOVWPBKTTF-JBLDHEPKSA-N 2 1 198.354 1.996 10 0 ADAEMP CCn1c[nH+]cc1CC[C@H](C)[NH2+]C 85184527 572689368 /nfs/dbraw/zinc/68/93/68/572689368.db2.gz SVFLIQUOOOEIFR-VIFPVBQESA-N 2 1 181.283 1.444 10 0 ADAEMP CCC[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147067 572689386 /nfs/dbraw/zinc/68/93/86/572689386.db2.gz YMMZCCHREMSBLB-ZJUUUORDSA-N 2 1 170.300 1.517 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])C1(C)CC1 252965922 572689414 /nfs/dbraw/zinc/68/94/14/572689414.db2.gz SHHUAJDXQIBVEH-JFGNBEQYSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147325 572689452 /nfs/dbraw/zinc/68/94/52/572689452.db2.gz YCVADXWDXQNKRD-VWYCJHECSA-N 2 1 184.327 1.905 10 0 ADAEMP C[C@H](CC[NH3+])[NH2+]Cc1ccco1 66147866 572689554 /nfs/dbraw/zinc/68/95/54/572689554.db2.gz HLUAKFURQJVGAE-MRVPVSSYSA-N 2 1 168.240 1.107 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[C@H](C)[NH2+]1 66147102 572689617 /nfs/dbraw/zinc/68/96/17/572689617.db2.gz BSIXAFONMXGFPU-DTWKUNHWSA-N 2 1 156.273 1.127 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]1C 252960605 572689620 /nfs/dbraw/zinc/68/96/20/572689620.db2.gz NKQZBXXBKMNJMK-YFKTTZPYSA-N 2 1 198.354 1.996 10 0 ADAEMP CC[NH+](CC)C[C@@H]1CCC[C@H](C)[NH2+]1 66146926 572689686 /nfs/dbraw/zinc/68/96/86/572689686.db2.gz RAYSRMPYWSWMRW-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C[C@@H]1C[C@H]1C)C1CC1 252966168 572689759 /nfs/dbraw/zinc/68/97/59/572689759.db2.gz SKMBJOOHZOJSGJ-JFGNBEQYSA-N 2 1 196.338 1.750 10 0 ADAEMP C[NH2+]C[C@H]1C[C@H]1c1c[nH+]cn1C1CC1 85191053 572692302 /nfs/dbraw/zinc/69/23/02/572692302.db2.gz VBHLLIMDBQRTAT-PSASIEDQSA-N 2 1 191.278 1.541 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+][C@]1(C[NH3+])CCC[C@H]1C 252956262 572689830 /nfs/dbraw/zinc/68/98/30/572689830.db2.gz JGZSLBOGQVYGNH-KKOKHZNYSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[NH2+]C[C@H]1C[C@H]1c1c[nH+]cn1CC 85185488 572689881 /nfs/dbraw/zinc/68/98/81/572689881.db2.gz IHZMVQXDJFGQPK-NXEZZACHSA-N 2 1 193.294 1.616 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252960601 572689925 /nfs/dbraw/zinc/68/99/25/572689925.db2.gz NKQZBXXBKMNJMK-QCNOEVLYSA-N 2 1 198.354 1.996 10 0 ADAEMP [NH3+]CCCc1c[nH+]cn1C1CC1 85190979 572690177 /nfs/dbraw/zinc/69/01/77/572690177.db2.gz CLCUIFBTNHEBEE-UHFFFAOYSA-N 2 1 165.240 1.109 10 0 ADAEMP C[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C)[NH2+]1 66146948 572689954 /nfs/dbraw/zinc/68/99/54/572689954.db2.gz FZKQBWLDFZBHJC-UWVGGRQHSA-N 2 1 184.327 1.905 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C1CCC1 252960303 572689969 /nfs/dbraw/zinc/68/99/69/572689969.db2.gz NEAVIDCHQMZQBK-DVVUODLYSA-N 2 1 182.311 1.359 10 0 ADAEMP CCCn1c[nH+]cc1C[C@H](C)[NH3+] 85186107 572689973 /nfs/dbraw/zinc/68/99/73/572689973.db2.gz PUEYBVTUFJCYHT-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147104 572690022 /nfs/dbraw/zinc/69/00/22/572690022.db2.gz BSIXAFONMXGFPU-BDAKNGLRSA-N 2 1 156.273 1.127 10 0 ADAEMP CCCn1c[nH+]cc1[C@H]1C[C@H]1C[NH2+]C 85187396 572690146 /nfs/dbraw/zinc/69/01/46/572690146.db2.gz FLHGSCJMCDUBRF-UWVGGRQHSA-N 2 1 193.294 1.616 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])CC1CC1 253012220 572690150 /nfs/dbraw/zinc/69/01/50/572690150.db2.gz DCNNEQJOHDYWLX-USWWRNFRSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[C@](C[NH3+])([NH2+]C[C@H]1C[C@H]1C)C1CC1 252966167 572690157 /nfs/dbraw/zinc/69/01/57/572690157.db2.gz SKMBJOOHZOJSGJ-CKYFFXLPSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@@H](CC[NH3+])[NH2+]Cc1ccco1 66147863 572690185 /nfs/dbraw/zinc/69/01/85/572690185.db2.gz HLUAKFURQJVGAE-QMMMGPOBSA-N 2 1 168.240 1.107 10 0 ADAEMP CC[C@H](C)[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252968909 572690301 /nfs/dbraw/zinc/69/03/01/572690301.db2.gz VRWOXKNZRDWKFR-ZDCRXTMVSA-N 2 1 184.327 1.605 10 0 ADAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252964052 572690310 /nfs/dbraw/zinc/69/03/10/572690310.db2.gz QMHFFUIPVUSRND-GRYCIOLGSA-N 2 1 198.354 1.996 10 0 ADAEMP CC(C)C[C@](C)(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252964053 572690323 /nfs/dbraw/zinc/69/03/23/572690323.db2.gz QMHFFUIPVUSRND-IJLUTSLNSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])C1CCC1 252960304 572690338 /nfs/dbraw/zinc/69/03/38/572690338.db2.gz NEAVIDCHQMZQBK-FBIMIBRVSA-N 2 1 182.311 1.359 10 0 ADAEMP C[NH2+]CCCCc1c[nH+]cn1C1CC1 85190118 572690357 /nfs/dbraw/zinc/69/03/57/572690357.db2.gz RBTTVAMPLSZDNO-UHFFFAOYSA-N 2 1 193.294 1.760 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147021 572690372 /nfs/dbraw/zinc/69/03/72/572690372.db2.gz GGAXNTDALKXXCN-NXEZZACHSA-N 2 1 170.300 1.515 10 0 ADAEMP CCCn1c[nH+]cc1CCC[NH3+] 85187312 572690479 /nfs/dbraw/zinc/69/04/79/572690479.db2.gz PQSHIGXUQHRFPT-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP CC[NH2+]C[C@H]1C[C@@H]1c1c[nH+]cn1CC 85185484 572690399 /nfs/dbraw/zinc/69/03/99/572690399.db2.gz IHZMVQXDJFGQPK-ZJUUUORDSA-N 2 1 193.294 1.616 10 0 ADAEMP C[C@@H](CC1CCCCC1)[NH2+]CC[NH3+] 238408231 572690402 /nfs/dbraw/zinc/69/04/02/572690402.db2.gz XXKPDGMOGVBADS-JTQLQIEISA-N 2 1 184.327 1.894 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[C@@H](C)[NH2+]1 66147105 572690433 /nfs/dbraw/zinc/69/04/33/572690433.db2.gz BSIXAFONMXGFPU-RKDXNWHRSA-N 2 1 156.273 1.127 10 0 ADAEMP C[C@@H]([NH3+])CCc1c[nH+]cn1C1CC1 85190271 572690504 /nfs/dbraw/zinc/69/05/04/572690504.db2.gz JPETYTPNHCNPKQ-MRVPVSSYSA-N 2 1 179.267 1.498 10 0 ADAEMP C[NH2+]C[C@H]1C[C@@H]1c1c[nH+]cn1C(C)C 85189263 572690523 /nfs/dbraw/zinc/69/05/23/572690523.db2.gz CRTSTMYHYHAKEQ-ZJUUUORDSA-N 2 1 193.294 1.787 10 0 ADAEMP CC[C@H]([NH3+])Cc1c[nH+]cn1C(C)C 85187786 572690623 /nfs/dbraw/zinc/69/06/23/572690623.db2.gz DEHAVALWYGZUJU-VIFPVBQESA-N 2 1 181.283 1.744 10 0 ADAEMP C[NH2+]C[C@H]1C[C@H]1c1c[nH+]cn1C(C)C 85189261 572690652 /nfs/dbraw/zinc/69/06/52/572690652.db2.gz CRTSTMYHYHAKEQ-NXEZZACHSA-N 2 1 193.294 1.787 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[C@H](C)[NH2+]1 66147101 572690682 /nfs/dbraw/zinc/69/06/82/572690682.db2.gz BSIXAFONMXGFPU-IUCAKERBSA-N 2 1 156.273 1.127 10 0 ADAEMP CC[NH+](CC)C[C@@H]1CCC[C@@H](C)[NH2+]1 66146931 572690699 /nfs/dbraw/zinc/69/06/99/572690699.db2.gz RAYSRMPYWSWMRW-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]([NH3+])Cc1c[nH+]cn1C(C)C 85187788 572690724 /nfs/dbraw/zinc/69/07/24/572690724.db2.gz DEHAVALWYGZUJU-SECBINFHSA-N 2 1 181.283 1.744 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CCC[C@@H](C)[NH2+]1 66147024 572690758 /nfs/dbraw/zinc/69/07/58/572690758.db2.gz GGAXNTDALKXXCN-ZJUUUORDSA-N 2 1 170.300 1.515 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1C[C@@H]1C[NH2+]C 85185475 572690801 /nfs/dbraw/zinc/69/08/01/572690801.db2.gz MSINMEBEVWKERD-RKDXNWHRSA-N 2 1 179.267 1.226 10 0 ADAEMP CC[NH+](CC)C[C@H]1CCC[C@H](C)[NH2+]1 66146929 572690913 /nfs/dbraw/zinc/69/09/13/572690913.db2.gz RAYSRMPYWSWMRW-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]C[C@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85191050 572690979 /nfs/dbraw/zinc/69/09/79/572690979.db2.gz VBHLLIMDBQRTAT-SCZZXKLOSA-N 2 1 191.278 1.541 10 0 ADAEMP CCCn1c[nH+]cc1CCCC[NH3+] 85191451 572691014 /nfs/dbraw/zinc/69/10/14/572691014.db2.gz SEKCGAZNJJYUNH-UHFFFAOYSA-N 2 1 181.283 1.575 10 0 ADAEMP C[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C)[NH2+]1 66146943 572691015 /nfs/dbraw/zinc/69/10/15/572691015.db2.gz FZKQBWLDFZBHJC-NXEZZACHSA-N 2 1 184.327 1.905 10 0 ADAEMP CC(C)n1c[nH+]cc1CCCC[NH3+] 85188434 572691020 /nfs/dbraw/zinc/69/10/20/572691020.db2.gz JTHWAISRMXPJEA-UHFFFAOYSA-N 2 1 181.283 1.745 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@H]1C[NH2+]C 85187394 572691084 /nfs/dbraw/zinc/69/10/84/572691084.db2.gz FLHGSCJMCDUBRF-VHSXEESVSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@@H]1c1c[nH+]cn1CC 85185482 572691165 /nfs/dbraw/zinc/69/11/65/572691165.db2.gz IHZMVQXDJFGQPK-UWVGGRQHSA-N 2 1 193.294 1.616 10 0 ADAEMP CCCn1c[nH+]cc1CC[NH2+]C 85186679 572691190 /nfs/dbraw/zinc/69/11/90/572691190.db2.gz ACVUOEALDYVNHF-UHFFFAOYSA-N 2 1 167.256 1.055 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 253485034 572691222 /nfs/dbraw/zinc/69/12/22/572691222.db2.gz LMHBBNMCVZVVPH-AXFHLTTASA-N 2 1 182.311 1.325 10 0 ADAEMP CCCn1c[nH+]cc1C[C@H]([NH3+])CC 85186109 572691292 /nfs/dbraw/zinc/69/12/92/572691292.db2.gz VLEOXONMUYELSK-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCCn1c[nH+]cc1[C@H]1C[C@H]1C[NH3+] 85187389 572691362 /nfs/dbraw/zinc/69/13/62/572691362.db2.gz ZXRTUZCQYRITOS-IUCAKERBSA-N 2 1 179.267 1.355 10 0 ADAEMP C[NH2+][C@H](C)CCc1c[nH+]cn1C1CC1 85190276 572691416 /nfs/dbraw/zinc/69/14/16/572691416.db2.gz NXCKYSLESYNPSQ-SECBINFHSA-N 2 1 193.294 1.759 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@H]([NH3+])C[C@H]2CC[N@H+]1C 253484430 572691504 /nfs/dbraw/zinc/69/15/04/572691504.db2.gz HGNKZULSXHOFRW-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])[C@@H](C2CCCC2)C[N@H+]1C 253485589 572691515 /nfs/dbraw/zinc/69/15/15/572691515.db2.gz PQVXDSMWSYNAGT-YUSALJHKSA-N 2 1 196.338 1.844 10 0 ADAEMP CCCn1c[nH+]cc1C[C@@H]1CC[NH2+]C1 85187539 572691491 /nfs/dbraw/zinc/69/14/91/572691491.db2.gz NKFFRQLCSCFXIT-JTQLQIEISA-N 2 1 193.294 1.445 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85191049 572691582 /nfs/dbraw/zinc/69/15/82/572691582.db2.gz VBHLLIMDBQRTAT-WPRPVWTQSA-N 2 1 191.278 1.541 10 0 ADAEMP CCCn1c[nH+]cc1CC[C@@H](C)[NH2+]C 85186734 572691732 /nfs/dbraw/zinc/69/17/32/572691732.db2.gz GZGFODNESJNGMI-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@@H]([NH3+])C[C@H]2CC[N@H+]1C 253484428 572691746 /nfs/dbraw/zinc/69/17/46/572691746.db2.gz HGNKZULSXHOFRW-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@H]1c1c[nH+]cn1C1CC1 85191051 572691796 /nfs/dbraw/zinc/69/17/96/572691796.db2.gz VBHLLIMDBQRTAT-WCBMZHEXSA-N 2 1 191.278 1.541 10 0 ADAEMP C[NH2+][C@@H](C)CCc1c[nH+]cn1C1CC1 85190275 572691876 /nfs/dbraw/zinc/69/18/76/572691876.db2.gz NXCKYSLESYNPSQ-VIFPVBQESA-N 2 1 193.294 1.759 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 253485036 572691908 /nfs/dbraw/zinc/69/19/08/572691908.db2.gz LMHBBNMCVZVVPH-HBNTYKKESA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)n1c[nH+]cc1CC[C@H](C)[NH3+] 85188600 572692023 /nfs/dbraw/zinc/69/20/23/572692023.db2.gz GLIQNBXEWAYQSY-VIFPVBQESA-N 2 1 181.283 1.744 10 0 ADAEMP CC(C)n1c[nH+]cc1CCC[NH3+] 85189185 572692050 /nfs/dbraw/zinc/69/20/50/572692050.db2.gz FSDRQOQGJCJVHE-UHFFFAOYSA-N 2 1 167.256 1.355 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccccn2)[NH2+]1 714532900 572692051 /nfs/dbraw/zinc/69/20/51/572692051.db2.gz FFDWKHIOQHLODD-FXPVBKGRSA-N 2 1 191.278 1.222 10 0 ADAEMP CCCn1c[nH+]cc1CC[NH2+]CC 85186680 572692059 /nfs/dbraw/zinc/69/20/59/572692059.db2.gz XSFUIVYYKPUNGZ-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP CC[C@H]([NH3+])Cc1c[nH+]cn1C1CC1 85189635 572692113 /nfs/dbraw/zinc/69/21/13/572692113.db2.gz VRGVDDOKRVNNMW-QMMMGPOBSA-N 2 1 179.267 1.498 10 0 ADAEMP CC(C)n1c[nH+]cc1CC[C@@H](C)[NH3+] 85188599 572692144 /nfs/dbraw/zinc/69/21/44/572692144.db2.gz GLIQNBXEWAYQSY-SECBINFHSA-N 2 1 181.283 1.744 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@H]1C[NH3+] 85187388 572692123 /nfs/dbraw/zinc/69/21/23/572692123.db2.gz ZXRTUZCQYRITOS-DTWKUNHWSA-N 2 1 179.267 1.355 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@H]2CC[N@H+]1C1CC1 253485702 572692206 /nfs/dbraw/zinc/69/22/06/572692206.db2.gz QMQPQOWZOIHHFT-FXPVBKGRSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1[C@H]2[C@H](CC[N@H+]1C)[NH2+]CCC2(C)C 253485635 572692218 /nfs/dbraw/zinc/69/22/18/572692218.db2.gz PZHVDHBZTIEFJA-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCn1c[nH+]cc1C[C@H]1CC[NH2+]C1 85187541 572692248 /nfs/dbraw/zinc/69/22/48/572692248.db2.gz NKFFRQLCSCFXIT-SNVBAGLBSA-N 2 1 193.294 1.445 10 0 ADAEMP C[C@@H]1[C@@H]2[C@H](CC[N@H+]1C)[NH2+]CCC2(C)C 253485634 572692266 /nfs/dbraw/zinc/69/22/66/572692266.db2.gz PZHVDHBZTIEFJA-OUAUKWLOSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])[C@@H](C2CCCC2)C[N@H+]1C 253485588 572692324 /nfs/dbraw/zinc/69/23/24/572692324.db2.gz PQVXDSMWSYNAGT-JLLWLGSASA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]1[C@@H]([NH3+])CC[N@@H+](C)[C@H]1C 253485364 572692434 /nfs/dbraw/zinc/69/24/34/572692434.db2.gz NZJKPOXNMRORMD-GUBZILKMSA-N 2 1 170.300 1.310 10 0 ADAEMP [NH3+]CCCCc1c[nH+]cn1C1CC1 85190116 572694096 /nfs/dbraw/zinc/69/40/96/572694096.db2.gz TUWLKTBPCWWLHX-UHFFFAOYSA-N 2 1 179.267 1.499 10 0 ADAEMP CCCn1c[nH+]cc1CC[NH2+]C1CC1 85186686 572692592 /nfs/dbraw/zinc/69/25/92/572692592.db2.gz DSPSIYKNXKBDSF-UHFFFAOYSA-N 2 1 193.294 1.588 10 0 ADAEMP CCCn1c[nH+]cc1CC[NH2+]C(C)C 85186685 572692638 /nfs/dbraw/zinc/69/26/38/572692638.db2.gz QMMMNUMJJIAUHV-UHFFFAOYSA-N 2 1 195.310 1.834 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@@H]1C[NH2+]C 85187391 572692689 /nfs/dbraw/zinc/69/26/89/572692689.db2.gz FLHGSCJMCDUBRF-NXEZZACHSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@H]1c1c[nH+]cn1CC 85185486 572692852 /nfs/dbraw/zinc/69/28/52/572692852.db2.gz IHZMVQXDJFGQPK-VHSXEESVSA-N 2 1 193.294 1.616 10 0 ADAEMP CCCn1c[nH+]cc1C[C@@H]([NH3+])CC 85186111 572692889 /nfs/dbraw/zinc/69/28/89/572692889.db2.gz VLEOXONMUYELSK-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2CC[N@H+]1C1CC1 253485703 572692902 /nfs/dbraw/zinc/69/29/02/572692902.db2.gz QMQPQOWZOIHHFT-KKZNHRDASA-N 2 1 180.295 1.079 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@@H]1c1c[nH+]cn1C(C)C 85189266 572692933 /nfs/dbraw/zinc/69/29/33/572692933.db2.gz CRTSTMYHYHAKEQ-UWVGGRQHSA-N 2 1 193.294 1.787 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2[C@H]1C 253485037 572694110 /nfs/dbraw/zinc/69/41/10/572694110.db2.gz LMHBBNMCVZVVPH-MXWKQRLJSA-N 2 1 182.311 1.325 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1C[C@H]1C[NH2+]C 85185479 572692941 /nfs/dbraw/zinc/69/29/41/572692941.db2.gz MSINMEBEVWKERD-DTWKUNHWSA-N 2 1 179.267 1.226 10 0 ADAEMP C[C@@H]1[C@@H]2C[C@@H]([NH3+])C[C@@H]2CC[N@H+]1C 253484429 572693095 /nfs/dbraw/zinc/69/30/95/572693095.db2.gz HGNKZULSXHOFRW-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP CCC[NH2+]CCc1c[nH+]cn1CCC 85186682 572693115 /nfs/dbraw/zinc/69/31/15/572693115.db2.gz QRCKWBIMYURIPO-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP CCCn1c[nH+]cc1CC[C@H](C)[NH3+] 85186725 572694119 /nfs/dbraw/zinc/69/41/19/572694119.db2.gz NMGLVCPTVCMCCS-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@@H]1[C@@H](C)[NH3+] 85186280 572693235 /nfs/dbraw/zinc/69/32/35/572693235.db2.gz BOEPZAVKSOSFTN-OPRDCNLKSA-N 2 1 193.294 1.744 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccccn2)[NH2+]1 714532902 572694126 /nfs/dbraw/zinc/69/41/26/572694126.db2.gz FFDWKHIOQHLODD-KKZNHRDASA-N 2 1 191.278 1.222 10 0 ADAEMP CC[N@@H+](C)CCNc1cccc(N)[nH+]1 87726296 572693375 /nfs/dbraw/zinc/69/33/75/572693375.db2.gz MKUSSERWGNZFBN-UHFFFAOYSA-N 2 1 194.282 1.027 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccccn2)[NH2+]1 714532906 572693383 /nfs/dbraw/zinc/69/33/83/572693383.db2.gz FFDWKHIOQHLODD-YWVKMMECSA-N 2 1 191.278 1.222 10 0 ADAEMP CCn1c[nH+]cc1[C@H]1C[C@@H]1C[NH2+]C 85185477 572693450 /nfs/dbraw/zinc/69/34/50/572693450.db2.gz MSINMEBEVWKERD-BDAKNGLRSA-N 2 1 179.267 1.226 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 253485035 572693482 /nfs/dbraw/zinc/69/34/82/572693482.db2.gz LMHBBNMCVZVVPH-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP CCCn1c[nH+]cc1CC[C@H](C)[NH2+]C 85186736 572693630 /nfs/dbraw/zinc/69/36/30/572693630.db2.gz GZGFODNESJNGMI-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CCCn1c[nH+]cc1C[C@@H](C)[NH3+] 85186105 572693684 /nfs/dbraw/zinc/69/36/84/572693684.db2.gz PUEYBVTUFJCYHT-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP CCCn1c[nH+]cc1[C@H]1C[C@@H]1C[NH3+] 85187386 572693751 /nfs/dbraw/zinc/69/37/51/572693751.db2.gz ZXRTUZCQYRITOS-BDAKNGLRSA-N 2 1 179.267 1.355 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@H](c2ccccn2)[NH2+]1 714532905 572693819 /nfs/dbraw/zinc/69/38/19/572693819.db2.gz FFDWKHIOQHLODD-WCABBAIRSA-N 2 1 191.278 1.222 10 0 ADAEMP CCCn1c[nH+]cc1CCCC[NH2+]C 85191454 572693857 /nfs/dbraw/zinc/69/38/57/572693857.db2.gz SSOYMAZCPBWDFK-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP CCn1c[nH+]cc1[C@H]1C[C@H]1C[NH2+]C 85185480 572693867 /nfs/dbraw/zinc/69/38/67/572693867.db2.gz MSINMEBEVWKERD-IUCAKERBSA-N 2 1 179.267 1.226 10 0 ADAEMP CC(C)[C@@H]1[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1C 253485365 572693893 /nfs/dbraw/zinc/69/38/93/572693893.db2.gz NZJKPOXNMRORMD-UTLUCORTSA-N 2 1 170.300 1.310 10 0 ADAEMP CCCn1c[nH+]cc1CC[C@@H](C)[NH3+] 85186723 572694187 /nfs/dbraw/zinc/69/41/87/572694187.db2.gz NMGLVCPTVCMCCS-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCCn1c[nH+]cc1[C@H]1C[C@@H]1C[NH2+]C 85187393 572694319 /nfs/dbraw/zinc/69/43/19/572694319.db2.gz FLHGSCJMCDUBRF-ZJUUUORDSA-N 2 1 193.294 1.616 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@H]1c1c[nH+]cn1C(C)C 85189264 572694329 /nfs/dbraw/zinc/69/43/29/572694329.db2.gz CRTSTMYHYHAKEQ-VHSXEESVSA-N 2 1 193.294 1.787 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@H]1[C@@H](C)[NH3+] 85186285 572694487 /nfs/dbraw/zinc/69/44/87/572694487.db2.gz BOEPZAVKSOSFTN-KXUCPTDWSA-N 2 1 193.294 1.744 10 0 ADAEMP CC[C@@H]([NH3+])Cc1c[nH+]cn1C1CC1 85189636 572694782 /nfs/dbraw/zinc/69/47/82/572694782.db2.gz VRGVDDOKRVNNMW-MRVPVSSYSA-N 2 1 179.267 1.498 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[NH2+]CCCOC 66190516 572694788 /nfs/dbraw/zinc/69/47/88/572694788.db2.gz FHWADPQZFOKCDS-SNVBAGLBSA-N 2 1 188.315 1.001 10 0 ADAEMP C[C@H]([NH3+])CCc1c[nH+]cn1C1CC1 85190269 572694832 /nfs/dbraw/zinc/69/48/32/572694832.db2.gz JPETYTPNHCNPKQ-QMMMGPOBSA-N 2 1 179.267 1.498 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@H]([NH3+])C2)C1 70503248 572694974 /nfs/dbraw/zinc/69/49/74/572694974.db2.gz PYHVYXAWIPGPEN-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH2+]CCCOC 66190518 572695006 /nfs/dbraw/zinc/69/50/06/572695006.db2.gz FHWADPQZFOKCDS-JTQLQIEISA-N 2 1 188.315 1.001 10 0 ADAEMP CCCC[NH2+]CC[NH2+]CCCOC 66188463 572695033 /nfs/dbraw/zinc/69/50/33/572695033.db2.gz IVMXFCUIRBOBSE-UHFFFAOYSA-N 2 1 188.315 1.002 10 0 ADAEMP CC[NH2+][C@@H](C)CCc1c[nH+]cn1C 85169469 572695704 /nfs/dbraw/zinc/69/57/04/572695704.db2.gz HJZHVVRPXFQQAN-VIFPVBQESA-N 2 1 181.283 1.351 10 0 ADAEMP CCC[NH2+][C@H](C)CCc1c[nH+]cn1C 85169482 572696654 /nfs/dbraw/zinc/69/66/54/572696654.db2.gz CZPUJEWKTKHMGK-SNVBAGLBSA-N 2 1 195.310 1.741 10 0 ADAEMP CCC[NH2+]CCCCc1c[nH+]cn1C 85169273 572695604 /nfs/dbraw/zinc/69/56/04/572695604.db2.gz QVQKCCRLCDSPNR-UHFFFAOYSA-N 2 1 195.310 1.742 10 0 ADAEMP Cn1c[nH+]cc1CCCC[NH2+]C1CC1 85169280 572697192 /nfs/dbraw/zinc/69/71/92/572697192.db2.gz CPVAPMMDLFZNRM-UHFFFAOYSA-N 2 1 193.294 1.495 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 70503092 572695933 /nfs/dbraw/zinc/69/59/33/572695933.db2.gz SLQJVEXMKCMDGT-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)C[C@H]([NH3+])Cc1c[nH+]cn1C 85167783 572696226 /nfs/dbraw/zinc/69/62/26/572696226.db2.gz ZLCXFZOVZQKMOL-VIFPVBQESA-N 2 1 181.283 1.336 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@@H]1c1c[nH+]cn1C 85182404 572700189 /nfs/dbraw/zinc/70/01/89/572700189.db2.gz ZCSHNIMEOTYBOC-IUCAKERBSA-N 2 1 179.267 1.133 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@H]([NH3+])C1 70503162 572696375 /nfs/dbraw/zinc/69/63/75/572696375.db2.gz CGHAXMJAKVWRTQ-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1 70531942 572698883 /nfs/dbraw/zinc/69/88/83/572698883.db2.gz ALVMQTCGZNGKGG-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@H]([NH3+])C1)C1CC1 70503093 572696958 /nfs/dbraw/zinc/69/69/58/572696958.db2.gz SLQJVEXMKCMDGT-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[C@@H]2CC[C@@H]([NH3+])C[C@H]2CC[N@H+]1C 253486556 572697015 /nfs/dbraw/zinc/69/70/15/572697015.db2.gz YCHCDIRGACFSPR-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1[C@@H]2CC[C@H]([NH3+])C[C@H]2CC[N@H+]1C 253486558 572697068 /nfs/dbraw/zinc/69/70/68/572697068.db2.gz YCHCDIRGACFSPR-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)C[C@@H]([NH3+])Cc1c[nH+]cn1C 85167786 572697342 /nfs/dbraw/zinc/69/73/42/572697342.db2.gz ZLCXFZOVZQKMOL-SECBINFHSA-N 2 1 181.283 1.336 10 0 ADAEMP CC[NH2+]CCCCc1c[nH+]cn1C 85169271 572697480 /nfs/dbraw/zinc/69/74/80/572697480.db2.gz GKPAXAHKCRYMLA-UHFFFAOYSA-N 2 1 181.283 1.352 10 0 ADAEMP CC(C)[NH2+]CCCCc1c[nH+]cn1C 85169276 572697501 /nfs/dbraw/zinc/69/75/01/572697501.db2.gz XVGBIXCWMNCFTP-UHFFFAOYSA-N 2 1 195.310 1.741 10 0 ADAEMP C[C@@H]1[C@@H]2CC[C@@H]([NH3+])C[C@@H]2CC[N@H+]1C 253486557 572697543 /nfs/dbraw/zinc/69/75/43/572697543.db2.gz YCHCDIRGACFSPR-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1=C(C)C[N@H+]([C@H]2CC[C@H]2C[NH3+])CC1 307624505 572699945 /nfs/dbraw/zinc/69/99/45/572699945.db2.gz FUVBKDSAMZRPPR-RYUDHWBXSA-N 2 1 194.322 1.766 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@H](C)C[NH3+])C1 250373841 572698350 /nfs/dbraw/zinc/69/83/50/572698350.db2.gz WCJKNTNOBYVTLC-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP Cn1c[nH+]cc1CC[NH2+]C(C)(C)C 85169435 572698504 /nfs/dbraw/zinc/69/85/04/572698504.db2.gz FHCDBARDBCMPRW-UHFFFAOYSA-N 2 1 181.283 1.351 10 0 ADAEMP CC[NH2+][C@H](C)CCc1c[nH+]cn1C 85169471 572698637 /nfs/dbraw/zinc/69/86/37/572698637.db2.gz HJZHVVRPXFQQAN-SECBINFHSA-N 2 1 181.283 1.351 10 0 ADAEMP C[NH2+]C1(C[NH3+])CCC(C(C)C)CC1 54557221 572699015 /nfs/dbraw/zinc/69/90/15/572699015.db2.gz AXWYTUMMDIECDE-UHFFFAOYSA-N 2 1 184.327 1.750 10 0 ADAEMP CCn1c[nH+]cc1C[C@@H]([NH3+])CC(C)C 85183155 572699141 /nfs/dbraw/zinc/69/91/41/572699141.db2.gz KGLNLPWIMVDGQH-JTQLQIEISA-N 2 1 195.310 1.819 10 0 ADAEMP CC[C@@H]([NH3+])Cc1c[nH+]cn1CC 85183142 572699385 /nfs/dbraw/zinc/69/93/85/572699385.db2.gz FJDMTTWJFNYNTF-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1C[C@@H]1c1c[nH+]cn1C 85182420 572699398 /nfs/dbraw/zinc/69/93/98/572699398.db2.gz FISKHWXLKNPCSW-UWVGGRQHSA-N 2 1 193.294 1.522 10 0 ADAEMP CC[C@H]([NH3+])Cc1c[nH+]cn1CC 85183140 572699405 /nfs/dbraw/zinc/69/94/05/572699405.db2.gz FJDMTTWJFNYNTF-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1C[C@H]1c1c[nH+]cn1C 85182425 572699411 /nfs/dbraw/zinc/69/94/11/572699411.db2.gz FISKHWXLKNPCSW-VHSXEESVSA-N 2 1 193.294 1.522 10 0 ADAEMP C[N@H+]1CC[NH2+][C@H]2CCCC[C@H]2C1 250374412 572699489 /nfs/dbraw/zinc/69/94/89/572699489.db2.gz JUJIGUCIBVOVLF-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[NH2+]C[C@@H]1C[C@@H]1c1c[nH+]cn1C 85182413 572699533 /nfs/dbraw/zinc/69/95/33/572699533.db2.gz ZKNNUCBSQIHEBD-UWVGGRQHSA-N 2 1 193.294 1.523 10 0 ADAEMP CCn1c[nH+]cc1C[C@H]([NH3+])CC(C)C 85183153 572699584 /nfs/dbraw/zinc/69/95/84/572699584.db2.gz KGLNLPWIMVDGQH-SNVBAGLBSA-N 2 1 195.310 1.819 10 0 ADAEMP CC1=C(C)C[N@H+]([C@@H]2CC[C@@H]2C[NH3+])CC1 307624506 572700373 /nfs/dbraw/zinc/70/03/73/572700373.db2.gz FUVBKDSAMZRPPR-VXGBXAGGSA-N 2 1 194.322 1.766 10 0 ADAEMP CC1=C(C)C[N@H+]([C@@H]2CC[C@H]2C[NH3+])CC1 307624504 572699745 /nfs/dbraw/zinc/69/97/45/572699745.db2.gz FUVBKDSAMZRPPR-NWDGAFQWSA-N 2 1 194.322 1.766 10 0 ADAEMP CC[NH+](CC)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299896309 572700093 /nfs/dbraw/zinc/70/00/93/572700093.db2.gz NKQRYNNMEPEKFS-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@H](C)C[NH3+])C1 250373845 572700208 /nfs/dbraw/zinc/70/02/08/572700208.db2.gz WCJKNTNOBYVTLC-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP C[N@H+]1CC[NH2+][C@@H]2CCCC[C@H]2C1 250374416 572700231 /nfs/dbraw/zinc/70/02/31/572700231.db2.gz JUJIGUCIBVOVLF-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[NH2+]C[C@H]1C[C@H]1c1c[nH+]cn1C 85182427 572701150 /nfs/dbraw/zinc/70/11/50/572701150.db2.gz FISKHWXLKNPCSW-NXEZZACHSA-N 2 1 193.294 1.522 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1C[C@@H]1C[NH2+]C1CC1 85182431 572700821 /nfs/dbraw/zinc/70/08/21/572700821.db2.gz ZQWUSNFJJKDKHL-SCZZXKLOSA-N 2 1 191.278 1.276 10 0 ADAEMP CCC[NH2+]C[C@H]1C[C@H]1c1c[nH+]cn1C 85182419 572700855 /nfs/dbraw/zinc/70/08/55/572700855.db2.gz ZKNNUCBSQIHEBD-NXEZZACHSA-N 2 1 193.294 1.523 10 0 ADAEMP CCC[NH2+]C[C@H]1C[C@@H]1c1c[nH+]cn1C 85182415 572700902 /nfs/dbraw/zinc/70/09/02/572700902.db2.gz ZKNNUCBSQIHEBD-ZJUUUORDSA-N 2 1 193.294 1.523 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1C[C@@H]1CC[NH2+]C1 70531941 572700989 /nfs/dbraw/zinc/70/09/89/572700989.db2.gz ALVMQTCGZNGKGG-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1C[C@H]1C[NH2+]C1CC1 85182434 572701036 /nfs/dbraw/zinc/70/10/36/572701036.db2.gz ZQWUSNFJJKDKHL-WPRPVWTQSA-N 2 1 191.278 1.276 10 0 ADAEMP [NH3+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]21 307312976 572701270 /nfs/dbraw/zinc/70/12/70/572701270.db2.gz GMXHESDGHKHVQM-GUBZILKMSA-N 2 1 168.284 1.113 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@H]1c1c[nH+]cn1C 85182408 572701625 /nfs/dbraw/zinc/70/16/25/572701625.db2.gz ZCSHNIMEOTYBOC-DTWKUNHWSA-N 2 1 179.267 1.133 10 0 ADAEMP CC[NH+](CC)C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 299896308 572701685 /nfs/dbraw/zinc/70/16/85/572701685.db2.gz NKQRYNNMEPEKFS-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1=C(C)C[N@H+]([C@H]2CC[C@@H]2C[NH3+])CC1 307624503 572701734 /nfs/dbraw/zinc/70/17/34/572701734.db2.gz FUVBKDSAMZRPPR-NEPJUHHUSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[N@@H+]1CC[C@@H](C)C1 235315848 572701766 /nfs/dbraw/zinc/70/17/66/572701766.db2.gz JYBQDAFADXDCBW-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1C[C@@H]1C[NH2+]C1CC1 85182429 572701790 /nfs/dbraw/zinc/70/17/90/572701790.db2.gz ZQWUSNFJJKDKHL-PSASIEDQSA-N 2 1 191.278 1.276 10 0 ADAEMP CCC[NH2+]C[C@@H]1C[C@H]1c1c[nH+]cn1C 85182417 572701997 /nfs/dbraw/zinc/70/19/97/572701997.db2.gz ZKNNUCBSQIHEBD-VHSXEESVSA-N 2 1 193.294 1.523 10 0 ADAEMP C[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@@H+]2C(C)C 54601582 572702072 /nfs/dbraw/zinc/70/20/72/572702072.db2.gz RNCQFGXAZXQCIC-YOGCLGLASA-N 2 1 196.338 2.000 10 0 ADAEMP C[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2C(C)C 54601582 572702076 /nfs/dbraw/zinc/70/20/76/572702076.db2.gz RNCQFGXAZXQCIC-YOGCLGLASA-N 2 1 196.338 2.000 10 0 ADAEMP CC(C)[NH2+]C[C@H]1C[C@@H]1c1c[nH+]cn1C 85182422 572702109 /nfs/dbraw/zinc/70/21/09/572702109.db2.gz FISKHWXLKNPCSW-ZJUUUORDSA-N 2 1 193.294 1.522 10 0 ADAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C(C)(C)C 54627051 572702168 /nfs/dbraw/zinc/70/21/68/572702168.db2.gz OSTWDYFOQLQOHL-FGWVZKOKSA-N 2 1 196.338 2.000 10 0 ADAEMP CC[NH2+]C[C@H]1C[C@@H]1c1c[nH+]cn1C 85182406 572702178 /nfs/dbraw/zinc/70/21/78/572702178.db2.gz ZCSHNIMEOTYBOC-BDAKNGLRSA-N 2 1 179.267 1.133 10 0 ADAEMP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2C1CCC1 54602325 572703579 /nfs/dbraw/zinc/70/35/79/572703579.db2.gz PYBHTDPEOURHFV-CLYYMRHHSA-N 2 1 194.322 1.883 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1C[C@H]1C[NH2+]C1CC1 85182432 572702240 /nfs/dbraw/zinc/70/22/40/572702240.db2.gz ZQWUSNFJJKDKHL-WCBMZHEXSA-N 2 1 191.278 1.276 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@@H]2CCC[C@H]2C1 250376436 572702242 /nfs/dbraw/zinc/70/22/42/572702242.db2.gz KOXHCOSNEILZNE-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@@H+]2C1CC1 54601421 572702388 /nfs/dbraw/zinc/70/23/88/572702388.db2.gz YQWFHOQRVHBIBU-CLYYMRHHSA-N 2 1 194.322 1.754 10 0 ADAEMP C[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2C1CC1 54601421 572702392 /nfs/dbraw/zinc/70/23/92/572702392.db2.gz YQWFHOQRVHBIBU-CLYYMRHHSA-N 2 1 194.322 1.754 10 0 ADAEMP CC[NH2+]C[C@H]1C[C@H]1c1c[nH+]cn1C 85182410 572702401 /nfs/dbraw/zinc/70/24/01/572702401.db2.gz ZCSHNIMEOTYBOC-RKDXNWHRSA-N 2 1 179.267 1.133 10 0 ADAEMP C[C@H](C[NH2+]CC[NH3+])c1ccc(F)cc1 238422694 572702479 /nfs/dbraw/zinc/70/24/79/572702479.db2.gz BBYODXLRXCTHNK-SECBINFHSA-N 2 1 196.269 1.478 10 0 ADAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 54627036 572703999 /nfs/dbraw/zinc/70/39/99/572703999.db2.gz HCUUKIQIPWFQKF-YOGCLGLASA-N 2 1 194.322 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C)C1 70557940 572702805 /nfs/dbraw/zinc/70/28/05/572702805.db2.gz GMIIZZULJONUFS-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2C)C1 70557940 572702811 /nfs/dbraw/zinc/70/28/11/572702811.db2.gz GMIIZZULJONUFS-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@H]2CCC[C@H]2C1 250376434 572702978 /nfs/dbraw/zinc/70/29/78/572702978.db2.gz KOXHCOSNEILZNE-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CSCCCCC[NH2+]CC[NH3+] 307873858 572704849 /nfs/dbraw/zinc/70/48/49/572704849.db2.gz MZLDLFHJCVPLJF-UHFFFAOYSA-N 2 1 176.329 1.068 10 0 ADAEMP [NH3+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 307312978 572703067 /nfs/dbraw/zinc/70/30/67/572703067.db2.gz GMXHESDGHKHVQM-UTLUCORTSA-N 2 1 168.284 1.113 10 0 ADAEMP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CC3)C2)C1 70584390 572704604 /nfs/dbraw/zinc/70/46/04/572704604.db2.gz MRVSKIQIFHUXGP-LLVKDONJSA-N 2 1 194.322 1.755 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1C[C@H](C)[NH2+]C 253621142 572703763 /nfs/dbraw/zinc/70/37/63/572703763.db2.gz ZOQWVDLRDNEKCW-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CC3)C2)C1 70584390 572704597 /nfs/dbraw/zinc/70/45/97/572704597.db2.gz MRVSKIQIFHUXGP-LLVKDONJSA-N 2 1 194.322 1.755 10 0 ADAEMP CC[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]C 70568405 572704735 /nfs/dbraw/zinc/70/47/35/572704735.db2.gz CQDWZUNBWVZVFG-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]C 70568406 572704871 /nfs/dbraw/zinc/70/48/71/572704871.db2.gz CQDWZUNBWVZVFG-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP C[NH2+]C1CCC([N@@H+](C)CCF)CC1 87774085 572705104 /nfs/dbraw/zinc/70/51/04/572705104.db2.gz FGWPTERRBZTWBD-UHFFFAOYSA-N 2 1 188.290 1.418 10 0 ADAEMP C1CCC([N@@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 70584389 572705114 /nfs/dbraw/zinc/70/51/14/572705114.db2.gz MRVSKIQIFHUXGP-NSHDSACASA-N 2 1 194.322 1.755 10 0 ADAEMP C1CCC([N@H+]2CC[C@H]([NH2+]C3CC3)C2)C1 70584389 572705119 /nfs/dbraw/zinc/70/51/19/572705119.db2.gz MRVSKIQIFHUXGP-NSHDSACASA-N 2 1 194.322 1.755 10 0 ADAEMP CC[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]C 70568404 572705388 /nfs/dbraw/zinc/70/53/88/572705388.db2.gz CQDWZUNBWVZVFG-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CCC1 54627993 572705402 /nfs/dbraw/zinc/70/54/02/572705402.db2.gz CVBPXJPDNDOKJZ-YOGCLGLASA-N 2 1 194.322 1.741 10 0 ADAEMP FCC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 87774819 572705658 /nfs/dbraw/zinc/70/56/58/572705658.db2.gz QVKBCUNLVHXTJE-SECBINFHSA-N 2 1 186.274 1.030 10 0 ADAEMP FCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 87774819 572705662 /nfs/dbraw/zinc/70/56/62/572705662.db2.gz QVKBCUNLVHXTJE-SECBINFHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@H+](CCF)Cc1cccc(C[NH3+])c1 87774443 572705839 /nfs/dbraw/zinc/70/58/39/572705839.db2.gz YMCPJMUOPTXMHY-UHFFFAOYSA-N 2 1 196.269 1.547 10 0 ADAEMP C[N@@H+](CCF)Cc1cccc(C[NH3+])c1 87774443 572705842 /nfs/dbraw/zinc/70/58/42/572705842.db2.gz YMCPJMUOPTXMHY-UHFFFAOYSA-N 2 1 196.269 1.547 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1C[C@H](C)[NH2+]C 253621141 572705876 /nfs/dbraw/zinc/70/58/76/572705876.db2.gz ZOQWVDLRDNEKCW-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[NH2+]C1CC1 235312604 572706231 /nfs/dbraw/zinc/70/62/31/572706231.db2.gz SJYFDRSTAQSBFC-SCZZXKLOSA-N 2 1 168.284 1.127 10 0 ADAEMP CC[C@H]1CCCC[C@]1(C[NH3+])[NH2+]C 70568407 572706285 /nfs/dbraw/zinc/70/62/85/572706285.db2.gz CQDWZUNBWVZVFG-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)C[N@@H+](CCF)CCC[NH3+] 87774477 572706298 /nfs/dbraw/zinc/70/62/98/572706298.db2.gz OUEBFOZIWIPACP-UHFFFAOYSA-N 2 1 176.279 1.263 10 0 ADAEMP FCC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 87774820 572706800 /nfs/dbraw/zinc/70/68/00/572706800.db2.gz QVKBCUNLVHXTJE-VIFPVBQESA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCC1 54628651 572706778 /nfs/dbraw/zinc/70/67/78/572706778.db2.gz WEKUJZVKVZASJI-CLYYMRHHSA-N 2 1 194.322 1.754 10 0 ADAEMP FCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 87774820 572706804 /nfs/dbraw/zinc/70/68/04/572706804.db2.gz QVKBCUNLVHXTJE-VIFPVBQESA-N 2 1 186.274 1.030 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772566 572707158 /nfs/dbraw/zinc/70/71/58/572707158.db2.gz FCLPBTGSIMJIAE-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CC(C)[N@H+](CCF)CCC[NH3+] 87774438 572707366 /nfs/dbraw/zinc/70/73/66/572707366.db2.gz JXEXLBCWKOUVTG-UHFFFAOYSA-N 2 1 162.252 1.015 10 0 ADAEMP CC(C)[N@@H+](CCF)CCC[NH3+] 87774438 572707367 /nfs/dbraw/zinc/70/73/67/572707367.db2.gz JXEXLBCWKOUVTG-UHFFFAOYSA-N 2 1 162.252 1.015 10 0 ADAEMP [NH3+]CCC[N@@H+](CCF)C1CCCC1 87774440 572707434 /nfs/dbraw/zinc/70/74/34/572707434.db2.gz CUIXTTHONKTXCG-UHFFFAOYSA-N 2 1 188.290 1.549 10 0 ADAEMP CCSCCC[N@H+](C)C[C@@H](C)[NH3+] 308099950 572709838 /nfs/dbraw/zinc/70/98/38/572709838.db2.gz FYOFIROSIQOPSS-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP C[N@H+](CCF)Cc1ccc(C[NH3+])cc1 87774467 572707773 /nfs/dbraw/zinc/70/77/73/572707773.db2.gz PLRYRCVUPWEDOJ-UHFFFAOYSA-N 2 1 196.269 1.547 10 0 ADAEMP C[N@@H+](CCF)Cc1ccc(C[NH3+])cc1 87774467 572707777 /nfs/dbraw/zinc/70/77/77/572707777.db2.gz PLRYRCVUPWEDOJ-UHFFFAOYSA-N 2 1 196.269 1.547 10 0 ADAEMP CC1(C)CC[C@](C[NH3+])([NH2+]CC2CC2)C1 87772616 572707875 /nfs/dbraw/zinc/70/78/75/572707875.db2.gz GDTYIUBRLINOGT-LBPRGKRZSA-N 2 1 196.338 1.894 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1CC 85286618 572707987 /nfs/dbraw/zinc/70/79/87/572707987.db2.gz HWDKHPVWDKISET-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC(C)(C)C1 87772565 572708004 /nfs/dbraw/zinc/70/80/04/572708004.db2.gz FCLPBTGSIMJIAE-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH+](C)CC(C)(C)C[NH2+]CCF 87774580 572708356 /nfs/dbraw/zinc/70/83/56/572708356.db2.gz KFQQYWPRAKPUEN-UHFFFAOYSA-N 2 1 176.279 1.133 10 0 ADAEMP CCSCCC[N@H+](C)C[C@H](C)[NH3+] 308099951 572709486 /nfs/dbraw/zinc/70/94/86/572709486.db2.gz FYOFIROSIQOPSS-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CCSCCC[N@@H+](C)C[C@H](C)[NH3+] 308099951 572709489 /nfs/dbraw/zinc/70/94/89/572709489.db2.gz FYOFIROSIQOPSS-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CC(C)[N@@H+](C)CCCC[NH2+]CCF 87775038 572709660 /nfs/dbraw/zinc/70/96/60/572709660.db2.gz ONZMAJLJINDOEW-UHFFFAOYSA-N 2 1 190.306 1.666 10 0 ADAEMP CC(C)C[N@H+](CCF)CCC(N)=[NH2+] 87775704 572709688 /nfs/dbraw/zinc/70/96/88/572709688.db2.gz IKWRLIHIEHOMOJ-UHFFFAOYSA-N 2 1 189.278 1.240 10 0 ADAEMP CC(C)C[N@@H+](CCF)CCC(N)=[NH2+] 87775704 572709690 /nfs/dbraw/zinc/70/96/90/572709690.db2.gz IKWRLIHIEHOMOJ-UHFFFAOYSA-N 2 1 189.278 1.240 10 0 ADAEMP CCSCCC[N@@H+](C)C[C@@H](C)[NH3+] 308099950 572709841 /nfs/dbraw/zinc/70/98/41/572709841.db2.gz FYOFIROSIQOPSS-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP C[N@@H+](CCF)[C@H]1CCCC[C@@H]1C[NH3+] 87776657 572710062 /nfs/dbraw/zinc/71/00/62/572710062.db2.gz WTSQSFARBZLDHJ-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCF)C1 87775030 572710256 /nfs/dbraw/zinc/71/02/56/572710256.db2.gz SQUNGEDTMKBBDL-SNVBAGLBSA-N 2 1 188.290 1.276 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCF)C1 87775030 572710258 /nfs/dbraw/zinc/71/02/58/572710258.db2.gz SQUNGEDTMKBBDL-SNVBAGLBSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H](C[NH2+]CCF)C[NH+]1CCCC1 87775136 572710156 /nfs/dbraw/zinc/71/01/56/572710156.db2.gz QCVPGNZXIRIFHU-SNVBAGLBSA-N 2 1 188.290 1.277 10 0 ADAEMP CCC[N@@H+](CCF)CC(C)(C)C[NH3+] 87776682 572710486 /nfs/dbraw/zinc/71/04/86/572710486.db2.gz LLPSMGGDSHBMAJ-UHFFFAOYSA-N 2 1 190.306 1.653 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[NH+]1CCCCC1 235319826 572710498 /nfs/dbraw/zinc/71/04/98/572710498.db2.gz GENZBDCNVOWVDV-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H](C[NH2+]CCF)C[NH+]1CCCC1 87775135 572710523 /nfs/dbraw/zinc/71/05/23/572710523.db2.gz QCVPGNZXIRIFHU-JTQLQIEISA-N 2 1 188.290 1.277 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCF)C1 87775031 572711004 /nfs/dbraw/zinc/71/10/04/572711004.db2.gz SQUNGEDTMKBBDL-JTQLQIEISA-N 2 1 188.290 1.276 10 0 ADAEMP CCC(CC)[C@H](C)[NH2+]CC[NH3+] 307876389 572711007 /nfs/dbraw/zinc/71/10/07/572711007.db2.gz ODIQCPJUVWBALA-QMMMGPOBSA-N 2 1 158.289 1.359 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCF)C1 87775031 572711008 /nfs/dbraw/zinc/71/10/08/572711008.db2.gz SQUNGEDTMKBBDL-JTQLQIEISA-N 2 1 188.290 1.276 10 0 ADAEMP CCS[C@H]1CCC[C@H]1[NH2+]CC[NH3+] 308097599 572711095 /nfs/dbraw/zinc/71/10/95/572711095.db2.gz DUQKFGGUKVEHJF-BDAKNGLRSA-N 2 1 188.340 1.209 10 0 ADAEMP CC[N@@H+](CCF)C1CCC([NH3+])CC1 87776679 572711130 /nfs/dbraw/zinc/71/11/30/572711130.db2.gz VQRWZBBMOBVRAY-UHFFFAOYSA-N 2 1 188.290 1.548 10 0 ADAEMP CC[N@@H+](CCF)[C@@H]1CCC[C@@H]1C[NH3+] 87776654 572711186 /nfs/dbraw/zinc/71/11/86/572711186.db2.gz BSOOGJLOUQRIEE-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[N@@H+](CCF)[C@H]1CCC[C@@H]1C[NH3+] 87776655 572711226 /nfs/dbraw/zinc/71/12/26/572711226.db2.gz BSOOGJLOUQRIEE-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[N@@H+](CCF)CC1CC[NH2+]CC1 87776684 572711518 /nfs/dbraw/zinc/71/15/18/572711518.db2.gz YIYSCJOMGFXWRP-UHFFFAOYSA-N 2 1 188.290 1.277 10 0 ADAEMP C[N@@H+](CCF)[C@@H]1CCCC[C@@H]1C[NH3+] 87776656 572711545 /nfs/dbraw/zinc/71/15/45/572711545.db2.gz WTSQSFARBZLDHJ-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[NH2+]C1(C[NH3+])CCC(C)(C)CC1 70623214 572711809 /nfs/dbraw/zinc/71/18/09/572711809.db2.gz YVFFSDSTWDIDIO-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP Cc1c(C(C)C)[nH+]c2n1C[C@H]([NH3+])CC2 70626474 572711950 /nfs/dbraw/zinc/71/19/50/572711950.db2.gz FQLANFPPORQXQE-SECBINFHSA-N 2 1 193.294 1.588 10 0 ADAEMP C[N@@H+](CCF)[C@@H]1CCC[C@@H]1C[NH3+] 87776652 572712187 /nfs/dbraw/zinc/71/21/87/572712187.db2.gz ZIOCKOCICJLORG-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CCC[N@H+](C)[C@@](CC)(C[NH3+])COC 70624557 572712263 /nfs/dbraw/zinc/71/22/63/572712263.db2.gz UAJAAGYOPNTQPF-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[N@@H+](C)[C@@](CC)(C[NH3+])COC 70624557 572712266 /nfs/dbraw/zinc/71/22/66/572712266.db2.gz UAJAAGYOPNTQPF-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]1 70619861 572712380 /nfs/dbraw/zinc/71/23/80/572712380.db2.gz PUFNQSAMHQOEPD-GXSJLCMTSA-N 2 1 182.311 1.517 10 0 ADAEMP C[N@@H+](CCF)[C@H]1CCC[C@@H]1C[NH3+] 87776653 572712575 /nfs/dbraw/zinc/71/25/75/572712575.db2.gz ZIOCKOCICJLORG-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP FCC[NH2+]CCC[NH+]1CCCC1 87775137 572712591 /nfs/dbraw/zinc/71/25/91/572712591.db2.gz JORRPSJNADHZDS-UHFFFAOYSA-N 2 1 174.263 1.031 10 0 ADAEMP Cc1c(C(C)C)[nH+]c2n1C[C@@H]([NH3+])CC2 70626475 572712633 /nfs/dbraw/zinc/71/26/33/572712633.db2.gz FQLANFPPORQXQE-VIFPVBQESA-N 2 1 193.294 1.588 10 0 ADAEMP CC1([NH2+]C[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 407308667 572712648 /nfs/dbraw/zinc/71/26/48/572712648.db2.gz PQHYXBXHHKBVSV-GHMZBOCLSA-N 2 1 194.322 1.659 10 0 ADAEMP CCS[C@@H]1CCC[C@@H]1[NH2+]CC[NH3+] 308097600 572712806 /nfs/dbraw/zinc/71/28/06/572712806.db2.gz DUQKFGGUKVEHJF-DTWKUNHWSA-N 2 1 188.340 1.209 10 0 ADAEMP CCC(CC)[C@@H](C)[NH2+]CC[NH3+] 307876387 572712933 /nfs/dbraw/zinc/71/29/33/572712933.db2.gz ODIQCPJUVWBALA-MRVPVSSYSA-N 2 1 158.289 1.359 10 0 ADAEMP CC[N@H+](CCF)CC(C)(C)C[NH3+] 87776681 572712985 /nfs/dbraw/zinc/71/29/85/572712985.db2.gz CAYAXDBYTJYUIQ-UHFFFAOYSA-N 2 1 176.279 1.263 10 0 ADAEMP CC[N@@H+](CCF)CC(C)(C)C[NH3+] 87776681 572712991 /nfs/dbraw/zinc/71/29/91/572712991.db2.gz CAYAXDBYTJYUIQ-UHFFFAOYSA-N 2 1 176.279 1.263 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 70619860 572713260 /nfs/dbraw/zinc/71/32/60/572713260.db2.gz PUFNQSAMHQOEPD-KOLCDFICSA-N 2 1 182.311 1.517 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]1 70619859 572713644 /nfs/dbraw/zinc/71/36/44/572713644.db2.gz PUFNQSAMHQOEPD-ONGXEEELSA-N 2 1 182.311 1.517 10 0 ADAEMP CCS[C@H]1CCC[C@@H]1[NH2+]CC[NH3+] 308097601 572713887 /nfs/dbraw/zinc/71/38/87/572713887.db2.gz DUQKFGGUKVEHJF-IUCAKERBSA-N 2 1 188.340 1.209 10 0 ADAEMP CCS[C@@H]1CCC[C@H]1[NH2+]CC[NH3+] 308097602 572714044 /nfs/dbraw/zinc/71/40/44/572714044.db2.gz DUQKFGGUKVEHJF-RKDXNWHRSA-N 2 1 188.340 1.209 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCF 87777360 572714253 /nfs/dbraw/zinc/71/42/53/572714253.db2.gz KZCQDJLIRADXDH-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]1 70619862 572714418 /nfs/dbraw/zinc/71/44/18/572714418.db2.gz PUFNQSAMHQOEPD-MWLCHTKSSA-N 2 1 182.311 1.517 10 0 ADAEMP CC[C@H](CC1CC1)[NH2+]CC[NH3+] 307877973 572714510 /nfs/dbraw/zinc/71/45/10/572714510.db2.gz OSEWHBPOCAWDFH-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CCCC[C@@H](C[NH3+])[N@@H+]1CC[C@@H]1C 87780295 572714724 /nfs/dbraw/zinc/71/47/24/572714724.db2.gz JWZIZQKEQVVDJZ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H](C[NH3+])[N@H+]1CC[C@@H]1C 87780295 572714728 /nfs/dbraw/zinc/71/47/28/572714728.db2.gz JWZIZQKEQVVDJZ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@@H+](CCF)CCC1CC[NH2+]CC1 87779103 572715205 /nfs/dbraw/zinc/71/52/05/572715205.db2.gz MBSGQLIDJJBOLR-UHFFFAOYSA-N 2 1 188.290 1.277 10 0 ADAEMP CC[C@@H](CC1CC1)[NH2+]CC[NH3+] 307877974 572715261 /nfs/dbraw/zinc/71/52/61/572715261.db2.gz OSEWHBPOCAWDFH-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP CCCC[C@@H](C[NH3+])[NH+]1CC(C)C1 87780303 572715380 /nfs/dbraw/zinc/71/53/80/572715380.db2.gz LFZVKGLQYMVRDN-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCC(C)(C)C1 70629082 572715436 /nfs/dbraw/zinc/71/54/36/572715436.db2.gz AJPXDDAPFDMDHV-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH+]1CC(C)C1 87780305 572715638 /nfs/dbraw/zinc/71/56/38/572715638.db2.gz LFZVKGLQYMVRDN-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[C@H](C[NH3+])[N@@H+]1CC[C@@H]1C 87780297 572716196 /nfs/dbraw/zinc/71/61/96/572716196.db2.gz JWZIZQKEQVVDJZ-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCCSCC1 48895987 572715923 /nfs/dbraw/zinc/71/59/23/572715923.db2.gz PVURNHUWZGOXKS-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCC(C)(C)C1 70629083 572715938 /nfs/dbraw/zinc/71/59/38/572715938.db2.gz AJPXDDAPFDMDHV-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CCCC[C@H](C[NH3+])[N@H+]1CC[C@@H]1C 87780297 572716198 /nfs/dbraw/zinc/71/61/98/572716198.db2.gz JWZIZQKEQVVDJZ-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H](C[NH3+])[NH+]1CC(CC)C1 87780435 572716503 /nfs/dbraw/zinc/71/65/03/572716503.db2.gz CENURVUJOGBSQH-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH+]1CC(CC)C1 87780436 572716569 /nfs/dbraw/zinc/71/65/69/572716569.db2.gz CENURVUJOGBSQH-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCF 87777361 572716854 /nfs/dbraw/zinc/71/68/54/572716854.db2.gz KZCQDJLIRADXDH-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP [NH3+]CC1([NH2+]CC(C2CC2)C2CC2)CC1 236178129 572717180 /nfs/dbraw/zinc/71/71/80/572717180.db2.gz KVCSJVSDXBCAMD-UHFFFAOYSA-N 2 1 194.322 1.504 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@@H](C)C1 70644494 572717201 /nfs/dbraw/zinc/71/72/01/572717201.db2.gz NGXNMCHREQXTJK-NXEZZACHSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@H]1CC[C@](C[NH3+])([NH2+]C2CC2)C1 70644505 572717274 /nfs/dbraw/zinc/71/72/74/572717274.db2.gz KVHGWGQMMAZCLD-WPRPVWTQSA-N 2 1 168.284 1.256 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 70643341 572717392 /nfs/dbraw/zinc/71/73/92/572717392.db2.gz ALWQTDWVPFCZOS-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@H](C)C1 70644495 572718620 /nfs/dbraw/zinc/71/86/20/572718620.db2.gz NGXNMCHREQXTJK-VHSXEESVSA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)C[NH2+]CCCc1[nH+]ccn1C 70639481 572717959 /nfs/dbraw/zinc/71/79/59/572717959.db2.gz AYMDKSRFUCWCGJ-UHFFFAOYSA-N 2 1 195.310 1.598 10 0 ADAEMP CCCn1c[nH+]cc1[C@H](C)C[NH3+] 308099235 572717669 /nfs/dbraw/zinc/71/76/69/572717669.db2.gz FUEJJPASJJOSMV-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@H](C)C1 70644497 572717678 /nfs/dbraw/zinc/71/76/78/572717678.db2.gz NGXNMCHREQXTJK-UWVGGRQHSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+](C)[C@@H]2CCCNC2)C1 70644940 572718046 /nfs/dbraw/zinc/71/80/46/572718046.db2.gz CWVCHZXKSHHUQS-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+](C)[C@@H]2CCCNC2)C1 70644940 572718060 /nfs/dbraw/zinc/71/80/60/572718060.db2.gz CWVCHZXKSHHUQS-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCSC(N)=[NH2+] 238442875 572718092 /nfs/dbraw/zinc/71/80/92/572718092.db2.gz UIGICGWGKRPSTD-ZETCQYMHSA-N 2 1 187.312 1.097 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283823 572718244 /nfs/dbraw/zinc/71/82/44/572718244.db2.gz LETVZOLPMFYEEE-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2)C1 70644942 572718566 /nfs/dbraw/zinc/71/85/66/572718566.db2.gz CWVCHZXKSHHUQS-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+](C)[C@@H]2CCCNC2)C1 70644942 572718572 /nfs/dbraw/zinc/71/85/72/572718572.db2.gz CWVCHZXKSHHUQS-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C)Cc1cc(C[NH3+])sc1C 87794441 572718805 /nfs/dbraw/zinc/71/88/05/572718805.db2.gz CBRTYOBJQAVJQF-UHFFFAOYSA-N 2 1 198.335 1.967 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)C2)C1 70643339 572719353 /nfs/dbraw/zinc/71/93/53/572719353.db2.gz ALWQTDWVPFCZOS-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[C@](C[NH3+])([NH2+]C2CC2)C1 70644504 572719429 /nfs/dbraw/zinc/71/94/29/572719429.db2.gz KVHGWGQMMAZCLD-SCZZXKLOSA-N 2 1 168.284 1.256 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C1 70644496 572719504 /nfs/dbraw/zinc/71/95/04/572719504.db2.gz NGXNMCHREQXTJK-ZJUUUORDSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@H]1CC[C@@](C[NH3+])([NH2+]C2CC2)C1 70644503 572719600 /nfs/dbraw/zinc/71/96/00/572719600.db2.gz KVHGWGQMMAZCLD-WCBMZHEXSA-N 2 1 168.284 1.256 10 0 ADAEMP C[C@@H]1CC[C@@](C[NH3+])([NH2+]C2CC2)C1 70644502 572719661 /nfs/dbraw/zinc/71/96/61/572719661.db2.gz KVHGWGQMMAZCLD-PSASIEDQSA-N 2 1 168.284 1.256 10 0 ADAEMP Cc1[nH+]ccn1CCS[C@H](C)C[NH3+] 85306913 572721278 /nfs/dbraw/zinc/72/12/78/572721278.db2.gz BIUIDAUJEQEADY-MRVPVSSYSA-N 2 1 199.323 1.272 10 0 ADAEMP CSC[C@@H]1CCC[N@H+](CCN)C1 308099901 572722126 /nfs/dbraw/zinc/72/21/26/572722126.db2.gz FVWVOYWFJPZELX-SECBINFHSA-N 2 1 188.340 1.020 10 0 ADAEMP CSC[C@@H]1CCC[N@@H+](CCN)C1 308099901 572722131 /nfs/dbraw/zinc/72/21/31/572722131.db2.gz FVWVOYWFJPZELX-SECBINFHSA-N 2 1 188.340 1.020 10 0 ADAEMP Cc1[nH+]ccn1CCSC[C@H](C)[NH3+] 85313845 572722207 /nfs/dbraw/zinc/72/22/07/572722207.db2.gz ABQNZJKEQRTOPE-QMMMGPOBSA-N 2 1 199.323 1.272 10 0 ADAEMP Cc1[nH+]ccn1CCSC[C@@H](C)[NH3+] 85313844 572722530 /nfs/dbraw/zinc/72/25/30/572722530.db2.gz ABQNZJKEQRTOPE-MRVPVSSYSA-N 2 1 199.323 1.272 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H](C)C[NH3+] 308099241 572723139 /nfs/dbraw/zinc/72/31/39/572723139.db2.gz FUEJJPASJJOSMV-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP Cc1[nH+]ccn1CCS[C@@H](C)C[NH3+] 85306911 572723162 /nfs/dbraw/zinc/72/31/62/572723162.db2.gz BIUIDAUJEQEADY-QMMMGPOBSA-N 2 1 199.323 1.272 10 0 ADAEMP CCC[N@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299897784 572723690 /nfs/dbraw/zinc/72/36/90/572723690.db2.gz SCHLVKKSGOMKIT-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299897784 572723694 /nfs/dbraw/zinc/72/36/94/572723694.db2.gz SCHLVKKSGOMKIT-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299897785 572723839 /nfs/dbraw/zinc/72/38/39/572723839.db2.gz SCHLVKKSGOMKIT-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299897785 572723844 /nfs/dbraw/zinc/72/38/44/572723844.db2.gz SCHLVKKSGOMKIT-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1[nH+]ccn1CCSCCC[NH3+] 85315902 572724066 /nfs/dbraw/zinc/72/40/66/572724066.db2.gz ROAWRKCSQGURJZ-UHFFFAOYSA-N 2 1 199.323 1.274 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]Cc1c[nH]cn1 54765290 572724079 /nfs/dbraw/zinc/72/40/79/572724079.db2.gz COLQMNPNOVGNKY-MRVPVSSYSA-N 2 1 165.240 1.298 10 0 ADAEMP CC[N@H+]1CCC[C@H](N)[C@H]1C(C)C 250385628 572724381 /nfs/dbraw/zinc/72/43/81/572724381.db2.gz XLTNGNTZAYOHAR-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CCN1CCC[C@H]([NH3+])[C@H]1C(C)C 250385628 572724384 /nfs/dbraw/zinc/72/43/84/572724384.db2.gz XLTNGNTZAYOHAR-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@H+]1CCC[C@@H](N)[C@H]1C(C)C 250385625 572724779 /nfs/dbraw/zinc/72/47/79/572724779.db2.gz XLTNGNTZAYOHAR-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CCN1CCC[C@@H]([NH3+])[C@H]1C(C)C 250385625 572724781 /nfs/dbraw/zinc/72/47/81/572724781.db2.gz XLTNGNTZAYOHAR-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CC[C@@]1(C[NH3+])[NH2+]CC1CC1 308105084 572725126 /nfs/dbraw/zinc/72/51/26/572725126.db2.gz HQPXJIMGRWIZFN-WPRPVWTQSA-N 2 1 168.284 1.113 10 0 ADAEMP CC[C@](C)([C@@H](C)[NH2+]C)[NH+]1CCC1 308105011 572725282 /nfs/dbraw/zinc/72/52/82/572725282.db2.gz HOPAMZZAVSATAF-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[NH2+]CC1CC1 308105082 572725575 /nfs/dbraw/zinc/72/55/75/572725575.db2.gz HQPXJIMGRWIZFN-WCBMZHEXSA-N 2 1 168.284 1.113 10 0 ADAEMP CC[C@](C)([C@H](C)[NH2+]C)[NH+]1CCC1 308105014 572726342 /nfs/dbraw/zinc/72/63/42/572726342.db2.gz HOPAMZZAVSATAF-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[NH2+]CC1CC1 308105077 572726455 /nfs/dbraw/zinc/72/64/55/572726455.db2.gz HQPXJIMGRWIZFN-PSASIEDQSA-N 2 1 168.284 1.113 10 0 ADAEMP CC[N@H+](C)C[C@H]([NH3+])CC(F)(F)F 308104525 572726734 /nfs/dbraw/zinc/72/67/34/572726734.db2.gz HJNSSJUXDGPJOW-ZCFIWIBFSA-N 2 1 184.205 1.218 10 0 ADAEMP CC[N@@H+](C)C[C@H]([NH3+])CC(F)(F)F 308104525 572726739 /nfs/dbraw/zinc/72/67/39/572726739.db2.gz HJNSSJUXDGPJOW-ZCFIWIBFSA-N 2 1 184.205 1.218 10 0 ADAEMP CC[C@@](C)([C@@H](C)[NH2+]C)[NH+]1CCC1 308105015 572727044 /nfs/dbraw/zinc/72/70/44/572727044.db2.gz HOPAMZZAVSATAF-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+](C)C[C@@H]([NH3+])CC(F)(F)F 308104521 572727103 /nfs/dbraw/zinc/72/71/03/572727103.db2.gz HJNSSJUXDGPJOW-LURJTMIESA-N 2 1 184.205 1.218 10 0 ADAEMP CC[N@@H+](C)C[C@@H]([NH3+])CC(F)(F)F 308104521 572727105 /nfs/dbraw/zinc/72/71/05/572727105.db2.gz HJNSSJUXDGPJOW-LURJTMIESA-N 2 1 184.205 1.218 10 0 ADAEMP C/C=C\CC[NH2+]CC[NH2+]C(C)(C)C 308101916 572728738 /nfs/dbraw/zinc/72/87/38/572728738.db2.gz HJBIXPQYZCIOKB-WAYWQWQTSA-N 2 1 184.327 1.930 10 0 ADAEMP CCc1c[nH]c([C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 77473686 572728886 /nfs/dbraw/zinc/72/88/86/572728886.db2.gz SALKANLAQPGWPU-RKDXNWHRSA-N 2 1 193.294 1.957 10 0 ADAEMP CCc1c[nH]c([C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 77473679 572729232 /nfs/dbraw/zinc/72/92/32/572729232.db2.gz SALKANLAQPGWPU-BDAKNGLRSA-N 2 1 193.294 1.957 10 0 ADAEMP CCc1c[nH]c([C@H]2CCC[C@H]([NH3+])C2)[nH+]1 77473683 572729881 /nfs/dbraw/zinc/72/98/81/572729881.db2.gz SALKANLAQPGWPU-IUCAKERBSA-N 2 1 193.294 1.957 10 0 ADAEMP CCc1c[nH]c([C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 77473689 572730114 /nfs/dbraw/zinc/73/01/14/572730114.db2.gz SALKANLAQPGWPU-DTWKUNHWSA-N 2 1 193.294 1.957 10 0 ADAEMP Cn1cc[nH+]c1CC/C=C\CC[NH3+] 308101512 572730459 /nfs/dbraw/zinc/73/04/59/572730459.db2.gz HNGVXQYCLSPAQA-IHWYPQMZSA-N 2 1 179.267 1.258 10 0 ADAEMP CSCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 308109651 572731775 /nfs/dbraw/zinc/73/17/75/572731775.db2.gz JLDUUASFDBHHGU-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CSCCC[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 308109651 572731777 /nfs/dbraw/zinc/73/17/77/572731777.db2.gz JLDUUASFDBHHGU-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CSCCC[N@@H+]1CC[C@H]([NH3+])[C@H]1C 308109650 572732623 /nfs/dbraw/zinc/73/26/23/572732623.db2.gz JLDUUASFDBHHGU-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CSCCC[N@H+]1CC[C@H]([NH3+])[C@H]1C 308109650 572732627 /nfs/dbraw/zinc/73/26/27/572732627.db2.gz JLDUUASFDBHHGU-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[N@H+](C)CC1([NH2+]C)CCCC1 308106431 572732861 /nfs/dbraw/zinc/73/28/61/572732861.db2.gz ICSWXEYKPNWIOI-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[N@@H+](C)CC1([NH2+]C)CCCC1 308106431 572732866 /nfs/dbraw/zinc/73/28/66/572732866.db2.gz ICSWXEYKPNWIOI-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[N@@H+](C)CCNc1ccnc(C)n1 54936603 572733844 /nfs/dbraw/zinc/73/38/44/572733844.db2.gz NHQHKONSYOKYND-UHFFFAOYSA-N 2 1 194.282 1.149 10 0 ADAEMP NC(=[NH2+])CCC[N@@H+](CC1CC1)C1CC1 70736612 572734498 /nfs/dbraw/zinc/73/44/98/572734498.db2.gz ONDHODWOAKDVSM-UHFFFAOYSA-N 2 1 195.310 1.577 10 0 ADAEMP CC[NH2+]C[C@](C)(CC)[NH+](C)C 307889532 572736821 /nfs/dbraw/zinc/73/68/21/572736821.db2.gz YFRQCOSGKMBSSY-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CC[NH2+]C[C@@](C)(CC)[NH+](C)C 307889531 572737434 /nfs/dbraw/zinc/73/74/34/572737434.db2.gz YFRQCOSGKMBSSY-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C1 70761578 572738589 /nfs/dbraw/zinc/73/85/89/572738589.db2.gz QKTUHDUTWNOSAB-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@H]1CC[C@H]([NH2+]CC[NH3+])C1 70761576 572738648 /nfs/dbraw/zinc/73/86/48/572738648.db2.gz QKTUHDUTWNOSAB-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP CCc1[nH+]ccn1C1CCC([NH3+])CC1 55144747 572739078 /nfs/dbraw/zinc/73/90/78/572739078.db2.gz AMDHYJLABDMZIV-UHFFFAOYSA-N 2 1 193.294 1.888 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@H](C)C(C)C 307905422 572748983 /nfs/dbraw/zinc/74/89/83/572748983.db2.gz RFDUITZAIXQYKX-RKDXNWHRSA-N 2 1 158.289 1.215 10 0 ADAEMP CC[C@@H]1CC[C@H]([NH2+]CC[NH3+])C1 70761574 572740737 /nfs/dbraw/zinc/74/07/37/572740737.db2.gz QKTUHDUTWNOSAB-BDAKNGLRSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[NH2+][C@@H]1CC1(C)C 235326050 572740979 /nfs/dbraw/zinc/74/09/79/572740979.db2.gz DITFFDRXJGELSS-GMTAPVOTSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C(C)C 87922005 572742049 /nfs/dbraw/zinc/74/20/49/572742049.db2.gz XLCLATLKRCGCTK-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]1CCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 307635481 572743688 /nfs/dbraw/zinc/74/36/88/572743688.db2.gz RSIJCXQMFDIJDE-XKGSQUFQSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@H]1CC[C@@H]([NH2+]CC[NH3+])C1 70761580 572741569 /nfs/dbraw/zinc/74/15/69/572741569.db2.gz QKTUHDUTWNOSAB-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]CC 87921934 572741662 /nfs/dbraw/zinc/74/16/62/572741662.db2.gz WMNFQIGZHCPPBB-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922381 572741679 /nfs/dbraw/zinc/74/16/79/572741679.db2.gz LPKPJTGKERZOGO-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87922102 572741718 /nfs/dbraw/zinc/74/17/18/572741718.db2.gz YDWPGWLXGDMDII-GMTAPVOTSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922647 572741742 /nfs/dbraw/zinc/74/17/42/572741742.db2.gz JAPRCMCKFCSSRP-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](CC)C1CC1 87922124 572741769 /nfs/dbraw/zinc/74/17/69/572741769.db2.gz QFUCNMQEDXLOJZ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+](Cc1ccco1)[C@H]1CC[C@@H]1C[NH3+] 87922227 572741790 /nfs/dbraw/zinc/74/17/90/572741790.db2.gz ZZFRWUWWWMHIFZ-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP C[N@@H+](Cc1ccco1)[C@H]1CC[C@@H]1C[NH3+] 87922227 572741796 /nfs/dbraw/zinc/74/17/96/572741796.db2.gz ZZFRWUWWWMHIFZ-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C1CC1 87921965 572741818 /nfs/dbraw/zinc/74/18/18/572741818.db2.gz PVGCUKWITZREBT-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@@H+](CC)[C@H]1CC[C@@H]1C[NH3+] 87921656 572741879 /nfs/dbraw/zinc/74/18/79/572741879.db2.gz NDKOSTXWTBWVSX-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921986 572741956 /nfs/dbraw/zinc/74/19/56/572741956.db2.gz KGCBOBUWIIQGOQ-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922058 572741897 /nfs/dbraw/zinc/74/18/97/572741897.db2.gz LHPUPGGXWFZLCE-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C1CC1 87921985 572741940 /nfs/dbraw/zinc/74/19/40/572741940.db2.gz QYXHUZJHRXQHAS-ZYHUDNBSSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC(C)C 87922145 572741977 /nfs/dbraw/zinc/74/19/77/572741977.db2.gz PXVQDNFKEYHPCV-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87922056 572742025 /nfs/dbraw/zinc/74/20/25/572742025.db2.gz JOEGEVQRQYSIQW-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235326233 572742056 /nfs/dbraw/zinc/74/20/56/572742056.db2.gz MMSPPBKLZPSDRJ-YWVKMMECSA-N 2 1 182.311 1.454 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC1CCC1 87922953 572742069 /nfs/dbraw/zinc/74/20/69/572742069.db2.gz ASCPGAFMYWFVIK-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](CC)C1CC1 87922125 572742117 /nfs/dbraw/zinc/74/21/17/572742117.db2.gz QFUCNMQEDXLOJZ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922141 572742137 /nfs/dbraw/zinc/74/21/37/572742137.db2.gz OPTLOOXVGKFCBY-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922179 572742211 /nfs/dbraw/zinc/74/22/11/572742211.db2.gz AWSOSUHTNKWDLN-HBNTYKKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87921201 572742290 /nfs/dbraw/zinc/74/22/90/572742290.db2.gz ZHTSBNJFHSERDQ-VXGBXAGGSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH2+]C 87922057 572742360 /nfs/dbraw/zinc/74/23/60/572742360.db2.gz JOEGEVQRQYSIQW-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922476 572742389 /nfs/dbraw/zinc/74/23/89/572742389.db2.gz BYKXNQADGXJWDW-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922072 572742412 /nfs/dbraw/zinc/74/24/12/572742412.db2.gz GMFSPYDYGNQWBJ-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87921927 572742423 /nfs/dbraw/zinc/74/24/23/572742423.db2.gz HWRUUZRCXUADTN-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921910 572742468 /nfs/dbraw/zinc/74/24/68/572742468.db2.gz XYXZLWUJOYLKSQ-OPRDCNLKSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923212 572742501 /nfs/dbraw/zinc/74/25/01/572742501.db2.gz AIDBOTMUIWDTEI-GWOFURMSSA-N 2 1 182.311 1.312 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@@H]1CC[C@@H]1C[NH3+] 87922956 572742523 /nfs/dbraw/zinc/74/25/23/572742523.db2.gz NBNMQYWIXIZHAV-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CC 87921990 572747044 /nfs/dbraw/zinc/74/70/44/572747044.db2.gz PIZUSNWEDPGYQO-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+](C1CCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87922244 572742601 /nfs/dbraw/zinc/74/26/01/572742601.db2.gz QTWISGNCXMVVKN-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@@H]1CC[C@@H]1C[NH2+]C 87922070 572742628 /nfs/dbraw/zinc/74/26/28/572742628.db2.gz RZOBNSRRVGYMSD-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921338 572742647 /nfs/dbraw/zinc/74/26/47/572742647.db2.gz DBWXWRHFNPMSKF-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CC 87921992 572742665 /nfs/dbraw/zinc/74/26/65/572742665.db2.gz PIZUSNWEDPGYQO-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC 87922003 572742686 /nfs/dbraw/zinc/74/26/86/572742686.db2.gz WAXGKUQERSAFFM-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C1CC1 87922330 572742713 /nfs/dbraw/zinc/74/27/13/572742713.db2.gz YOHGMWIRBKTVHK-MVWJERBFSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C1CCCC1 87921944 572742916 /nfs/dbraw/zinc/74/29/16/572742916.db2.gz SJYAUZLJWOFFJJ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C1CCCC1 87921946 572742950 /nfs/dbraw/zinc/74/29/50/572742950.db2.gz SJYAUZLJWOFFJJ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C(C)C 87921691 572742966 /nfs/dbraw/zinc/74/29/66/572742966.db2.gz BFUGARMZPZZERL-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC 87921993 572742978 /nfs/dbraw/zinc/74/29/78/572742978.db2.gz PIZUSNWEDPGYQO-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@H]1CC[C@@H]1C[NH2+]C 87922071 572743004 /nfs/dbraw/zinc/74/30/04/572743004.db2.gz RZOBNSRRVGYMSD-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC(C)(C)C 87922838 572743031 /nfs/dbraw/zinc/74/30/31/572743031.db2.gz CIRFUVCCOZXYSN-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CCC(C)C 87922791 572743077 /nfs/dbraw/zinc/74/30/77/572743077.db2.gz AGIMSDUJCYBYKP-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921673 572743112 /nfs/dbraw/zinc/74/31/12/572743112.db2.gz OQJVMZDZCHWSFP-ZYHUDNBSSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923214 572743188 /nfs/dbraw/zinc/74/31/88/572743188.db2.gz AIDBOTMUIWDTEI-CHWFTXMASA-N 2 1 182.311 1.312 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@H+]1CCC[C@@H](C)C1 87921547 572743209 /nfs/dbraw/zinc/74/32/09/572743209.db2.gz LKFUIHFZDCALRY-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 87923233 572743263 /nfs/dbraw/zinc/74/32/63/572743263.db2.gz LENKLMAROBOGEG-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 87921336 572743281 /nfs/dbraw/zinc/74/32/81/572743281.db2.gz AEXDHIJZAKJVHU-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921689 572743307 /nfs/dbraw/zinc/74/33/07/572743307.db2.gz BFUGARMZPZZERL-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922118 572743319 /nfs/dbraw/zinc/74/33/19/572743319.db2.gz AQJOLIOJSOLIRP-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](CC(C)(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922840 572743400 /nfs/dbraw/zinc/74/34/00/572743400.db2.gz JPSYBLDAIFVCTK-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H]1CCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 307635480 572743408 /nfs/dbraw/zinc/74/34/08/572743408.db2.gz RSIJCXQMFDIJDE-WNYYMSAVSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CC1CCC1 87922952 572743420 /nfs/dbraw/zinc/74/34/20/572743420.db2.gz ASCPGAFMYWFVIK-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921322 572743434 /nfs/dbraw/zinc/74/34/34/572743434.db2.gz DVARIXFYBYZBQT-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH2+]C 87922040 572743460 /nfs/dbraw/zinc/74/34/60/572743460.db2.gz NQMNTNPIJNSLRV-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922467 572743470 /nfs/dbraw/zinc/74/34/70/572743470.db2.gz APDYKLSSIIJYAF-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CC 87922000 572747297 /nfs/dbraw/zinc/74/72/97/572747297.db2.gz WAXGKUQERSAFFM-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 87921344 572743496 /nfs/dbraw/zinc/74/34/96/572743496.db2.gz JYDFFPCOOODIAD-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922073 572743542 /nfs/dbraw/zinc/74/35/42/572743542.db2.gz GMFSPYDYGNQWBJ-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C1CC1 87921979 572743564 /nfs/dbraw/zinc/74/35/64/572743564.db2.gz WTLVTLPEQQZZNI-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921674 572743577 /nfs/dbraw/zinc/74/35/77/572743577.db2.gz OQJVMZDZCHWSFP-PWSUYJOCSA-N 2 1 196.338 1.857 10 0 ADAEMP CCCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87921642 572746447 /nfs/dbraw/zinc/74/64/47/572746447.db2.gz ZYYGIZYFAYJDLO-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@@H+](CC1CCCC1)[C@H]1CC[C@@H]1C[NH3+] 87923141 572743604 /nfs/dbraw/zinc/74/36/04/572743604.db2.gz ZPTZUWUZDAMJQF-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921684 572743622 /nfs/dbraw/zinc/74/36/22/572743622.db2.gz KRBMHWOXZASTNA-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CC[C@@H]1C[NH2+]C 87922041 572743643 /nfs/dbraw/zinc/74/36/43/572743643.db2.gz NQMNTNPIJNSLRV-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCCCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922191 572743660 /nfs/dbraw/zinc/74/36/60/572743660.db2.gz LHVAHFRNGXFUMY-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922016 572743677 /nfs/dbraw/zinc/74/36/77/572743677.db2.gz OCWSHLIOIOSYOK-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH2+]C 87922117 572743692 /nfs/dbraw/zinc/74/36/92/572743692.db2.gz SHCNLEBFMYJGTL-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C1CC1 87921980 572743710 /nfs/dbraw/zinc/74/37/10/572743710.db2.gz WTLVTLPEQQZZNI-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])[C@@H]1C 87921288 572743725 /nfs/dbraw/zinc/74/37/25/572743725.db2.gz VYVBSONRNNLXJK-IRCOFANPSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C(C)C 87921683 572743741 /nfs/dbraw/zinc/74/37/41/572743741.db2.gz KRBMHWOXZASTNA-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922178 572743760 /nfs/dbraw/zinc/74/37/60/572743760.db2.gz AWSOSUHTNKWDLN-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922333 572743782 /nfs/dbraw/zinc/74/37/82/572743782.db2.gz VARHNKDXPNPMLK-FBIMIBRVSA-N 2 1 182.311 1.454 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C1CC1 87921966 572743798 /nfs/dbraw/zinc/74/37/98/572743798.db2.gz PVGCUKWITZREBT-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87922042 572743810 /nfs/dbraw/zinc/74/38/10/572743810.db2.gz XAYVFJRLYZTLQG-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923213 572743842 /nfs/dbraw/zinc/74/38/42/572743842.db2.gz AIDBOTMUIWDTEI-LNFKQOIKSA-N 2 1 182.311 1.312 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922468 572743860 /nfs/dbraw/zinc/74/38/60/572743860.db2.gz APDYKLSSIIJYAF-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[N@H+](C(C)(C)C2CC2)CC[C@@H]1[NH3+] 235329521 572743892 /nfs/dbraw/zinc/74/38/92/572743892.db2.gz QQQPBAAADSFSRN-KOLCDFICSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921909 572743920 /nfs/dbraw/zinc/74/39/20/572743920.db2.gz ZXAGDSAPDZXCGQ-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922140 572743952 /nfs/dbraw/zinc/74/39/52/572743952.db2.gz OPTLOOXVGKFCBY-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[C@@H]1C[NH2+]C 87922015 572743993 /nfs/dbraw/zinc/74/39/93/572743993.db2.gz MIRXVCWVJAXXPJ-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922332 572744009 /nfs/dbraw/zinc/74/40/09/572744009.db2.gz VARHNKDXPNPMLK-JMJZKYOTSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C1CC1 87921983 572744062 /nfs/dbraw/zinc/74/40/62/572744062.db2.gz QYXHUZJHRXQHAS-PWSUYJOCSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](C)C1 87922508 572744077 /nfs/dbraw/zinc/74/40/77/572744077.db2.gz DDBJGNSIMFIBBW-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H]1CCC[C@H]1C 70832062 572744131 /nfs/dbraw/zinc/74/41/31/572744131.db2.gz YAKKUQDOBPFKCZ-RHYQMDGZSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922478 572744135 /nfs/dbraw/zinc/74/41/35/572744135.db2.gz BYKXNQADGXJWDW-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922176 572744157 /nfs/dbraw/zinc/74/41/57/572744157.db2.gz HWNQKFJVIVHMTP-IJLUTSLNSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923215 572744203 /nfs/dbraw/zinc/74/42/03/572744203.db2.gz AIDBOTMUIWDTEI-ZRUFSTJUSA-N 2 1 182.311 1.312 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CC(C)C 87922146 572744228 /nfs/dbraw/zinc/74/42/28/572744228.db2.gz PXVQDNFKEYHPCV-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921639 572744259 /nfs/dbraw/zinc/74/42/59/572744259.db2.gz PTNUQDJNBXZMPN-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922793 572744286 /nfs/dbraw/zinc/74/42/86/572744286.db2.gz YRENCJDSMVAKPE-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922505 572744318 /nfs/dbraw/zinc/74/43/18/572744318.db2.gz OGXSWHXEYMIUCA-IVZWLZJFSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C 87923211 572744349 /nfs/dbraw/zinc/74/43/49/572744349.db2.gz XZBFEMJWBXTULW-WHOHXGKFSA-N 2 1 196.338 1.572 10 0 ADAEMP CCCCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922190 572744390 /nfs/dbraw/zinc/74/43/90/572744390.db2.gz LHVAHFRNGXFUMY-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922632 572744416 /nfs/dbraw/zinc/74/44/16/572744416.db2.gz RFYYSTVDPWAQNO-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+](C1CCCC1)[C@H]1CC[C@@H]1C[NH3+] 87922245 572744495 /nfs/dbraw/zinc/74/44/95/572744495.db2.gz QTWISGNCXMVVKN-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922471 572744549 /nfs/dbraw/zinc/74/45/49/572744549.db2.gz HGZXQSHYOBEGDX-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH3+] 87922088 572747320 /nfs/dbraw/zinc/74/73/20/572747320.db2.gz VMXFUPKNUURMPI-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1CCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 307635479 572744648 /nfs/dbraw/zinc/74/46/48/572744648.db2.gz RSIJCXQMFDIJDE-HBIQZDMRSA-N 2 1 196.338 1.987 10 0 ADAEMP C[N@@H+](CC1CCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87923140 572744662 /nfs/dbraw/zinc/74/46/62/572744662.db2.gz ZPTZUWUZDAMJQF-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC1CCC1 87922955 572744684 /nfs/dbraw/zinc/74/46/84/572744684.db2.gz ASCPGAFMYWFVIK-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]CC(C)C 87921988 572744703 /nfs/dbraw/zinc/74/47/03/572744703.db2.gz SGLDFNYKMCUDQJ-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921959 572744774 /nfs/dbraw/zinc/74/47/74/572744774.db2.gz ANPYGJUMOLOAOP-SKDRFNHKSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1CCC[C@H]1[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 70832023 572744776 /nfs/dbraw/zinc/74/47/76/572744776.db2.gz LCMYDOZRTVITLL-WHOHXGKFSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC(C)C 87922147 572744805 /nfs/dbraw/zinc/74/48/05/572744805.db2.gz PXVQDNFKEYHPCV-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CC[C@@H]1C[NH3+] 87922043 572744823 /nfs/dbraw/zinc/74/48/23/572744823.db2.gz XAYVFJRLYZTLQG-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C1CCCC1 87921945 572744878 /nfs/dbraw/zinc/74/48/78/572744878.db2.gz SJYAUZLJWOFFJJ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922351 572744921 /nfs/dbraw/zinc/74/49/21/572744921.db2.gz JSHNIAXITYIBEG-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87922297 572744950 /nfs/dbraw/zinc/74/49/50/572744950.db2.gz OCERJEWFADMILT-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922017 572744959 /nfs/dbraw/zinc/74/49/59/572744959.db2.gz OCWSHLIOIOSYOK-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921500 572744973 /nfs/dbraw/zinc/74/49/73/572744973.db2.gz KGUAKBUUUXXYIF-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+](Cc1ccoc1)[C@@H]1CC[C@@H]1C[NH3+] 87922778 572745027 /nfs/dbraw/zinc/74/50/27/572745027.db2.gz STLZRUZCLRISKC-GHMZBOCLSA-N 2 1 194.278 1.449 10 0 ADAEMP C[N@@H+](Cc1ccoc1)[C@@H]1CC[C@@H]1C[NH3+] 87922778 572745029 /nfs/dbraw/zinc/74/50/29/572745029.db2.gz STLZRUZCLRISKC-GHMZBOCLSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87921550 572745038 /nfs/dbraw/zinc/74/50/38/572745038.db2.gz AKMNIGANJSWNIB-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922469 572745061 /nfs/dbraw/zinc/74/50/61/572745061.db2.gz APDYKLSSIIJYAF-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@H+]1CC[C@@H](C)C1 87922502 572745097 /nfs/dbraw/zinc/74/50/97/572745097.db2.gz OETNBEQQAVFWJE-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)C[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922659 572745140 /nfs/dbraw/zinc/74/51/40/572745140.db2.gz FGZJMMDEXUCVMJ-PWSUYJOCSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922119 572745217 /nfs/dbraw/zinc/74/52/17/572745217.db2.gz AQJOLIOJSOLIRP-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922059 572745237 /nfs/dbraw/zinc/74/52/37/572745237.db2.gz LHPUPGGXWFZLCE-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]CC 87921933 572745287 /nfs/dbraw/zinc/74/52/87/572745287.db2.gz WMNFQIGZHCPPBB-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)C(=[NH2+])N(C)C[C@@H]1CC[N@@H+](C)C1 70823976 572745350 /nfs/dbraw/zinc/74/53/50/572745350.db2.gz MVHCERGARHGEFB-SNVBAGLBSA-N 2 1 197.326 1.503 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CC(C)C 87922144 572745353 /nfs/dbraw/zinc/74/53/53/572745353.db2.gz PXVQDNFKEYHPCV-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC(C)C 87922139 572745443 /nfs/dbraw/zinc/74/54/43/572745443.db2.gz NDDQQKQHICPFIA-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C1CC1 87921967 572745509 /nfs/dbraw/zinc/74/55/09/572745509.db2.gz PVGCUKWITZREBT-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@H+]1CCC[C@@H]1C 87921342 572745550 /nfs/dbraw/zinc/74/55/50/572745550.db2.gz JYDFFPCOOODIAD-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CCC(C)C 87922790 572745700 /nfs/dbraw/zinc/74/57/00/572745700.db2.gz AGIMSDUJCYBYKP-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]1CCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 307635482 572745726 /nfs/dbraw/zinc/74/57/26/572745726.db2.gz RSIJCXQMFDIJDE-YYJSSNLHSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C(C)C 87921692 572745789 /nfs/dbraw/zinc/74/57/89/572745789.db2.gz BFUGARMZPZZERL-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C1CC1 87921978 572745817 /nfs/dbraw/zinc/74/58/17/572745817.db2.gz WTLVTLPEQQZZNI-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87922103 572745915 /nfs/dbraw/zinc/74/59/15/572745915.db2.gz YDWPGWLXGDMDII-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921987 572745949 /nfs/dbraw/zinc/74/59/49/572745949.db2.gz KGCBOBUWIIQGOQ-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87923232 572745965 /nfs/dbraw/zinc/74/59/65/572745965.db2.gz LENKLMAROBOGEG-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2C)CC[C@@H]1[NH3+] 70832020 572745973 /nfs/dbraw/zinc/74/59/73/572745973.db2.gz LCMYDOZRTVITLL-WISYIIOYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@H]1CC[C@@H]1C[NH3+] 87922957 572745979 /nfs/dbraw/zinc/74/59/79/572745979.db2.gz NBNMQYWIXIZHAV-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+](Cc1ccco1)[C@@H]1CC[C@@H]1C[NH3+] 87922226 572745991 /nfs/dbraw/zinc/74/59/91/572745991.db2.gz ZZFRWUWWWMHIFZ-MWLCHTKSSA-N 2 1 194.278 1.449 10 0 ADAEMP C[N@@H+](Cc1ccco1)[C@@H]1CC[C@@H]1C[NH3+] 87922226 572745993 /nfs/dbraw/zinc/74/59/93/572745993.db2.gz ZZFRWUWWWMHIFZ-MWLCHTKSSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921911 572746015 /nfs/dbraw/zinc/74/60/15/572746015.db2.gz XYXZLWUJOYLKSQ-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+](Cc1ccoc1)[C@H]1CC[C@@H]1C[NH3+] 87922779 572746024 /nfs/dbraw/zinc/74/60/24/572746024.db2.gz STLZRUZCLRISKC-MNOVXSKESA-N 2 1 194.278 1.449 10 0 ADAEMP C[N@@H+](Cc1ccoc1)[C@H]1CC[C@@H]1C[NH3+] 87922779 572746027 /nfs/dbraw/zinc/74/60/27/572746027.db2.gz STLZRUZCLRISKC-MNOVXSKESA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87922029 572746049 /nfs/dbraw/zinc/74/60/49/572746049.db2.gz YCXKSALNNBRQGW-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921926 572746096 /nfs/dbraw/zinc/74/60/96/572746096.db2.gz HWRUUZRCXUADTN-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922466 572746117 /nfs/dbraw/zinc/74/61/17/572746117.db2.gz APDYKLSSIIJYAF-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C1CC1 87921964 572746150 /nfs/dbraw/zinc/74/61/50/572746150.db2.gz PVGCUKWITZREBT-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[C@@H]1C[NH2+]C 87922014 572746201 /nfs/dbraw/zinc/74/62/01/572746201.db2.gz MIRXVCWVJAXXPJ-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922296 572747360 /nfs/dbraw/zinc/74/73/60/572747360.db2.gz OCERJEWFADMILT-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C(C)C 87922004 572746326 /nfs/dbraw/zinc/74/63/26/572746326.db2.gz XLCLATLKRCGCTK-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)C(C)C 87921690 572746366 /nfs/dbraw/zinc/74/63/66/572746366.db2.gz BFUGARMZPZZERL-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]CC(C)C 87921989 572746381 /nfs/dbraw/zinc/74/63/81/572746381.db2.gz SGLDFNYKMCUDQJ-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922311 572746402 /nfs/dbraw/zinc/74/64/02/572746402.db2.gz NFJBCUCAVNNXKH-HBNTYKKESA-N 2 1 184.327 1.700 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC 87922001 572746505 /nfs/dbraw/zinc/74/65/05/572746505.db2.gz WAXGKUQERSAFFM-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](CC)C1CC1 87922123 572747372 /nfs/dbraw/zinc/74/73/72/572747372.db2.gz QFUCNMQEDXLOJZ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CC 87922002 572746549 /nfs/dbraw/zinc/74/65/49/572746549.db2.gz WAXGKUQERSAFFM-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@@H+](CC(C)(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922841 572746563 /nfs/dbraw/zinc/74/65/63/572746563.db2.gz JPSYBLDAIFVCTK-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H]1C 87921343 572746590 /nfs/dbraw/zinc/74/65/90/572746590.db2.gz JYDFFPCOOODIAD-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@H]1CC[C@@H]1C[NH3+] 87922089 572746611 /nfs/dbraw/zinc/74/66/11/572746611.db2.gz VMXFUPKNUURMPI-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87923131 572746642 /nfs/dbraw/zinc/74/66/42/572746642.db2.gz QKCSRMRAFZUSNY-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+]1CCC[C@H](N2CCCC2=[NH2+])C1 49217064 572746647 /nfs/dbraw/zinc/74/66/47/572746647.db2.gz HEBCFJRTKNDDAL-JTQLQIEISA-N 2 1 195.310 1.544 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC1CC1 87922477 572746660 /nfs/dbraw/zinc/74/66/60/572746660.db2.gz BYKXNQADGXJWDW-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H]1C 87921341 572746682 /nfs/dbraw/zinc/74/66/82/572746682.db2.gz JYDFFPCOOODIAD-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH+](C)CCC[NH2+]C/C=C\Cl 307901570 572746683 /nfs/dbraw/zinc/74/66/83/572746683.db2.gz ULLYSNSVBRLEEX-HYXAFXHYSA-N 2 1 176.691 1.280 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@H+]1CC[C@H](C)C1 87922510 572746699 /nfs/dbraw/zinc/74/66/99/572746699.db2.gz DDBJGNSIMFIBBW-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921918 572746713 /nfs/dbraw/zinc/74/67/13/572746713.db2.gz XEGMLTJLDCMKMM-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87923248 572746738 /nfs/dbraw/zinc/74/67/38/572746738.db2.gz MKKSCAXRVMDQFV-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH2+]C 87921319 572746766 /nfs/dbraw/zinc/74/67/66/572746766.db2.gz OPICEUJSLWJOPL-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC 87921991 572746789 /nfs/dbraw/zinc/74/67/89/572746789.db2.gz PIZUSNWEDPGYQO-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH2+]C 87921320 572746816 /nfs/dbraw/zinc/74/68/16/572746816.db2.gz OPICEUJSLWJOPL-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@@H+](CC)[C@@H]1CC[C@@H]1C[NH3+] 87921655 572747383 /nfs/dbraw/zinc/74/73/83/572747383.db2.gz NDKOSTXWTBWVSX-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C1CC1 87921958 572746906 /nfs/dbraw/zinc/74/69/06/572746906.db2.gz ANPYGJUMOLOAOP-BXKDBHETSA-N 2 1 194.322 1.611 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC(C)C 87922138 572746947 /nfs/dbraw/zinc/74/69/47/572746947.db2.gz NDDQQKQHICPFIA-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87922116 572746992 /nfs/dbraw/zinc/74/69/92/572746992.db2.gz SHCNLEBFMYJGTL-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922792 572747019 /nfs/dbraw/zinc/74/70/19/572747019.db2.gz YRENCJDSMVAKPE-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)[C@@H](C)C(C)C 87922309 572747081 /nfs/dbraw/zinc/74/70/81/572747081.db2.gz QGZKWGIETCTWIE-QJPTWQEYSA-N 2 1 198.354 1.961 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C1CC1 87921919 572747124 /nfs/dbraw/zinc/74/71/24/572747124.db2.gz XEGMLTJLDCMKMM-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH2+]C 87923230 572747162 /nfs/dbraw/zinc/74/71/62/572747162.db2.gz LHOHTGWZQKQMJT-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)CC1CC1 87922479 572747230 /nfs/dbraw/zinc/74/72/30/572747230.db2.gz BYKXNQADGXJWDW-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C1CC1 87921982 572747452 /nfs/dbraw/zinc/74/74/52/572747452.db2.gz QYXHUZJHRXQHAS-JQWIXIFHSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@@H+](C)CC(C)(C)C 87922839 572747469 /nfs/dbraw/zinc/74/74/69/572747469.db2.gz CIRFUVCCOZXYSN-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C1CCCC1 87921947 572747827 /nfs/dbraw/zinc/74/78/27/572747827.db2.gz SJYAUZLJWOFFJJ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922470 572747582 /nfs/dbraw/zinc/74/75/82/572747582.db2.gz HGZXQSHYOBEGDX-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922310 572747615 /nfs/dbraw/zinc/74/76/15/572747615.db2.gz NFJBCUCAVNNXKH-GMTAPVOTSA-N 2 1 184.327 1.700 10 0 ADAEMP CCC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922646 572747643 /nfs/dbraw/zinc/74/76/43/572747643.db2.gz JAPRCMCKFCSSRP-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921641 572747691 /nfs/dbraw/zinc/74/76/91/572747691.db2.gz ZYYGIZYFAYJDLO-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@@H+](C1CC1)[C@H]1CC[C@@H]1C[NH3+] 87922633 572747718 /nfs/dbraw/zinc/74/77/18/572747718.db2.gz RFYYSTVDPWAQNO-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](CC)C1CC1 87922122 572747769 /nfs/dbraw/zinc/74/77/69/572747769.db2.gz QFUCNMQEDXLOJZ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87922380 572747794 /nfs/dbraw/zinc/74/77/94/572747794.db2.gz LPKPJTGKERZOGO-GMTAPVOTSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC2(C)C)CC[C@@H]1[NH3+] 235331414 572747808 /nfs/dbraw/zinc/74/78/08/572747808.db2.gz IPFCUGHTMXCYPD-VWYCJHECSA-N 2 1 196.338 1.702 10 0 ADAEMP CCCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH2+]C 87921640 572747867 /nfs/dbraw/zinc/74/78/67/572747867.db2.gz PTNUQDJNBXZMPN-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C1CC1 87921981 572747915 /nfs/dbraw/zinc/74/79/15/572747915.db2.gz WTLVTLPEQQZZNI-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[N@@H+](C1CC1)[C@@H]1CC[C@@H]1C[NH3+] 87922658 572747939 /nfs/dbraw/zinc/74/79/39/572747939.db2.gz FGZJMMDEXUCVMJ-ZYHUDNBSSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@@H]1C[NH3+] 87921202 572748013 /nfs/dbraw/zinc/74/80/13/572748013.db2.gz ZHTSBNJFHSERDQ-NEPJUHHUSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87922177 572748045 /nfs/dbraw/zinc/74/80/45/572748045.db2.gz HWNQKFJVIVHMTP-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C1CC1 87921984 572748066 /nfs/dbraw/zinc/74/80/66/572748066.db2.gz QYXHUZJHRXQHAS-CMPLNLGQSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)CC1CCC1 87922954 572748119 /nfs/dbraw/zinc/74/81/19/572748119.db2.gz ASCPGAFMYWFVIK-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1ccc([C@@H]2C[C@H]([NH3+])C[C@@H](C)[NH2+]2)o1 714541909 572748978 /nfs/dbraw/zinc/74/89/78/572748978.db2.gz YVAPIRCRLBRSDC-QNSHHTMESA-N 2 1 194.278 1.728 10 0 ADAEMP Cc1ccc([C@@H]2C[C@@H]([NH3+])C[C@@H](C)[NH2+]2)o1 714541908 572748385 /nfs/dbraw/zinc/74/83/85/572748385.db2.gz YVAPIRCRLBRSDC-JEZHCXPESA-N 2 1 194.278 1.728 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]1CCCCC[NH2+]1 401856490 572748525 /nfs/dbraw/zinc/74/85/25/572748525.db2.gz VSJYCJZPMMWRNM-SNVBAGLBSA-N 2 1 193.294 1.495 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@@H](C)C(C)C 307905419 572748818 /nfs/dbraw/zinc/74/88/18/572748818.db2.gz RFDUITZAIXQYKX-DTWKUNHWSA-N 2 1 158.289 1.215 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923299 572748851 /nfs/dbraw/zinc/74/88/51/572748851.db2.gz HHURKZRZMSBECI-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@H]1C[NH2+]C 87923898 572749234 /nfs/dbraw/zinc/74/92/34/572749234.db2.gz BPFPOYKQFWDLQI-UWVGGRQHSA-N 2 1 193.294 1.616 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CC[C@H]1C[NH3+] 87923930 572749318 /nfs/dbraw/zinc/74/93/18/572749318.db2.gz IWEKUVHHFHYYBK-UWVGGRQHSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@@H]1C[NH2+]C 87923895 572749370 /nfs/dbraw/zinc/74/93/70/572749370.db2.gz BPFPOYKQFWDLQI-NXEZZACHSA-N 2 1 193.294 1.616 10 0 ADAEMP Cn1c[nH+]cc1C[C@@H]1CCCCC[NH2+]1 401856486 572749435 /nfs/dbraw/zinc/74/94/35/572749435.db2.gz VSJYCJZPMMWRNM-JTQLQIEISA-N 2 1 193.294 1.495 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CC[C@@H]1C[NH3+] 87923927 572749448 /nfs/dbraw/zinc/74/94/48/572749448.db2.gz IWEKUVHHFHYYBK-NXEZZACHSA-N 2 1 193.294 1.745 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CC[C@@H]1C[NH3+] 87923928 572749554 /nfs/dbraw/zinc/74/95/54/572749554.db2.gz IWEKUVHHFHYYBK-ZJUUUORDSA-N 2 1 193.294 1.745 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923389 572749591 /nfs/dbraw/zinc/74/95/91/572749591.db2.gz ZISIQOGUHNKFCT-IJLUTSLNSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1n1cc[nH+]c1C 87923704 572749709 /nfs/dbraw/zinc/74/97/09/572749709.db2.gz COYWADQMQHWFOO-MNOVXSKESA-N 2 1 193.294 1.752 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923381 572749742 /nfs/dbraw/zinc/74/97/42/572749742.db2.gz SEDKJBJIVYNCFK-IRCOFANPSA-N 2 1 196.338 1.844 10 0 ADAEMP C/C=C/CC[N@@H+]1CCC[C@@H]1C[NH3+] 307905136 572749870 /nfs/dbraw/zinc/74/98/70/572749870.db2.gz BTSQYBYHUNVFMZ-VMZHVLLKSA-N 2 1 168.284 1.376 10 0 ADAEMP C/C=C/CC[N@H+]1CCC[C@@H]1C[NH3+] 307905136 572749871 /nfs/dbraw/zinc/74/98/71/572749871.db2.gz BTSQYBYHUNVFMZ-VMZHVLLKSA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH+](C)Cc1ccc(F)cc1C(N)=[NH2+] 70850222 572749908 /nfs/dbraw/zinc/74/99/08/572749908.db2.gz JHJCQXUXSMGDDA-UHFFFAOYSA-N 2 1 195.241 1.171 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@H]1C[NH2+]C 87923897 572749932 /nfs/dbraw/zinc/74/99/32/572749932.db2.gz BPFPOYKQFWDLQI-VHSXEESVSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1n1cc[nH+]c1C 87923706 572750032 /nfs/dbraw/zinc/75/00/32/572750032.db2.gz COYWADQMQHWFOO-GHMZBOCLSA-N 2 1 193.294 1.752 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1n1cc[nH+]c1C 87923703 572750082 /nfs/dbraw/zinc/75/00/82/572750082.db2.gz COYWADQMQHWFOO-QWRGUYRKSA-N 2 1 193.294 1.752 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1n1cc[nH+]c1C 87923705 572750200 /nfs/dbraw/zinc/75/02/00/572750200.db2.gz COYWADQMQHWFOO-WDEREUQCSA-N 2 1 193.294 1.752 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CC[C@H]1C[NH3+] 87923929 572750434 /nfs/dbraw/zinc/75/04/34/572750434.db2.gz IWEKUVHHFHYYBK-VHSXEESVSA-N 2 1 193.294 1.745 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923380 572750441 /nfs/dbraw/zinc/75/04/41/572750441.db2.gz SEDKJBJIVYNCFK-DDHJBXDOSA-N 2 1 196.338 1.844 10 0 ADAEMP [NH3+]C[C@H]1CC[C@H]1[N@@H+](CC1CC1)C1CC1 87923324 572750514 /nfs/dbraw/zinc/75/05/14/572750514.db2.gz UWGQZUOHMUYHGJ-ZYHUDNBSSA-N 2 1 194.322 1.598 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@@H]1C[NH2+]C 87923896 572750594 /nfs/dbraw/zinc/75/05/94/572750594.db2.gz BPFPOYKQFWDLQI-ZJUUUORDSA-N 2 1 193.294 1.616 10 0 ADAEMP C[C@@H]1CCC[C@]([NH3+])(C[N@H+](C)C2CC2)C1 70905356 572750760 /nfs/dbraw/zinc/75/07/60/572750760.db2.gz JGOFCGRDCNOWQL-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[C@]([NH3+])(C[N@@H+](C)C2CC2)C1 70905356 572750764 /nfs/dbraw/zinc/75/07/64/572750764.db2.gz JGOFCGRDCNOWQL-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[C@H](C)[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923379 572750783 /nfs/dbraw/zinc/75/07/83/572750783.db2.gz SEDKJBJIVYNCFK-NNYUYHANSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87923249 572751101 /nfs/dbraw/zinc/75/11/01/572751101.db2.gz MKKSCAXRVMDQFV-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CCCn1cc[nH+]c1[C@@H](C)[C@H](C)C[NH3+] 87938680 572751892 /nfs/dbraw/zinc/75/18/92/572751892.db2.gz JVELTCFKMPOMAK-ZJUUUORDSA-N 2 1 195.310 1.991 10 0 ADAEMP CCCn1cc[nH+]c1[C@@H](C)[C@@H](C)C[NH3+] 87938676 572752012 /nfs/dbraw/zinc/75/20/12/572752012.db2.gz JVELTCFKMPOMAK-UWVGGRQHSA-N 2 1 195.310 1.991 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)[C@H](C)C[NH3+] 87937987 572752360 /nfs/dbraw/zinc/75/23/60/572752360.db2.gz OFDNXWLEDUWKEG-BDAKNGLRSA-N 2 1 181.283 1.601 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)[C@H](C)C[NH3+] 87937989 572753428 /nfs/dbraw/zinc/75/34/28/572753428.db2.gz OFDNXWLEDUWKEG-RKDXNWHRSA-N 2 1 181.283 1.601 10 0 ADAEMP C[C@H]1CCC[C@@]([NH3+])(C[N@H+](C)C2CC2)C1 70905375 572752543 /nfs/dbraw/zinc/75/25/43/572752543.db2.gz JGOFCGRDCNOWQL-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CCC[C@@]([NH3+])(C[N@@H+](C)C2CC2)C1 70905375 572752547 /nfs/dbraw/zinc/75/25/47/572752547.db2.gz JGOFCGRDCNOWQL-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)[C@H](C)C[NH3+] 87938529 572752607 /nfs/dbraw/zinc/75/26/07/572752607.db2.gz PFIDENXOYSHQNU-VHSXEESVSA-N 2 1 195.310 1.676 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)[C@@H](C)C[NH3+] 87938526 572754254 /nfs/dbraw/zinc/75/42/54/572754254.db2.gz PFIDENXOYSHQNU-UWVGGRQHSA-N 2 1 195.310 1.676 10 0 ADAEMP C/C=C\C[NH2+]C[C@@H]1CC[N@H+](CC)C1 308112584 572752828 /nfs/dbraw/zinc/75/28/28/572752828.db2.gz ZVOWYDWWFHIRHC-MZBZXASESA-N 2 1 182.311 1.494 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)[C@@H](C)C[NH3+] 87937983 572752860 /nfs/dbraw/zinc/75/28/60/572752860.db2.gz OFDNXWLEDUWKEG-IUCAKERBSA-N 2 1 181.283 1.601 10 0 ADAEMP C[C@@H](Cc1[nH+]ccn1C)[C@@H](C)C[NH3+] 87937793 572753164 /nfs/dbraw/zinc/75/31/64/572753164.db2.gz PEWGBGRRMREHDQ-IUCAKERBSA-N 2 1 181.283 1.194 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)[C@@H](C)C[NH3+] 87938524 572753173 /nfs/dbraw/zinc/75/31/73/572753173.db2.gz PFIDENXOYSHQNU-ZJUUUORDSA-N 2 1 195.310 1.676 10 0 ADAEMP C[C@H](C[NH3+])[C@H](C)Cc1[nH+]ccn1C 87937799 572753251 /nfs/dbraw/zinc/75/32/51/572753251.db2.gz PEWGBGRRMREHDQ-RKDXNWHRSA-N 2 1 181.283 1.194 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)Cc1[nH+]ccn1C 87937796 572753355 /nfs/dbraw/zinc/75/33/55/572753355.db2.gz PEWGBGRRMREHDQ-BDAKNGLRSA-N 2 1 181.283 1.194 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)[C@@H](C)C[NH3+] 87937985 572754264 /nfs/dbraw/zinc/75/42/64/572754264.db2.gz OFDNXWLEDUWKEG-DTWKUNHWSA-N 2 1 181.283 1.601 10 0 ADAEMP CCCn1cc[nH+]c1C(C)(C)CC[NH3+] 87937381 572754077 /nfs/dbraw/zinc/75/40/77/572754077.db2.gz AARBPMJADZQORR-UHFFFAOYSA-N 2 1 195.310 1.920 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)[C@H](C)C[NH3+] 87938527 572754084 /nfs/dbraw/zinc/75/40/84/572754084.db2.gz PFIDENXOYSHQNU-NXEZZACHSA-N 2 1 195.310 1.676 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)Cc1[nH+]ccn1C 87937798 572754091 /nfs/dbraw/zinc/75/40/91/572754091.db2.gz PEWGBGRRMREHDQ-DTWKUNHWSA-N 2 1 181.283 1.194 10 0 ADAEMP C[C@@H]1CCC[C@@]([NH3+])(C[N@H+](C)C2CC2)C1 70905369 572754170 /nfs/dbraw/zinc/75/41/70/572754170.db2.gz JGOFCGRDCNOWQL-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[C@@]([NH3+])(C[N@@H+](C)C2CC2)C1 70905369 572754174 /nfs/dbraw/zinc/75/41/74/572754174.db2.gz JGOFCGRDCNOWQL-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCn1cc[nH+]c1[C@H](C)[C@H](C)C[NH3+] 87938682 572754541 /nfs/dbraw/zinc/75/45/41/572754541.db2.gz JVELTCFKMPOMAK-NXEZZACHSA-N 2 1 195.310 1.991 10 0 ADAEMP C[C@H]1CCC[C@]([NH3+])(C[N@H+](C)C2CC2)C1 70905362 572754637 /nfs/dbraw/zinc/75/46/37/572754637.db2.gz JGOFCGRDCNOWQL-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CCC[C@]([NH3+])(C[N@@H+](C)C2CC2)C1 70905362 572754641 /nfs/dbraw/zinc/75/46/41/572754641.db2.gz JGOFCGRDCNOWQL-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCn1cc[nH+]c1[C@H](C)[C@@H](C)C[NH3+] 87938678 572754682 /nfs/dbraw/zinc/75/46/82/572754682.db2.gz JVELTCFKMPOMAK-VHSXEESVSA-N 2 1 195.310 1.991 10 0 ADAEMP C[C@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 223104830 572755188 /nfs/dbraw/zinc/75/51/88/572755188.db2.gz VWFMTMIXFPOEFB-HBNTYKKESA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+](C)[C@H]1CS[C@H](C)C1 307638599 572755211 /nfs/dbraw/zinc/75/52/11/572755211.db2.gz YIJUTLPPDDWUIN-DJLDLDEBSA-N 2 1 188.340 1.159 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+](C)[C@H]1CS[C@H](C)C1 307638599 572755216 /nfs/dbraw/zinc/75/52/16/572755216.db2.gz YIJUTLPPDDWUIN-DJLDLDEBSA-N 2 1 188.340 1.159 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CC[C@@H]1C[NH3+] 87942889 572755300 /nfs/dbraw/zinc/75/53/00/572755300.db2.gz SLRBPTKJLUVMRM-VHSXEESVSA-N 2 1 193.294 1.430 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H]1CC[C@H]1[NH3+] 87935645 572755392 /nfs/dbraw/zinc/75/53/92/572755392.db2.gz ZXPFUCJXJGKMDL-NXEZZACHSA-N 2 1 193.294 1.573 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CC[C@H]1C[NH3+] 87942894 572755407 /nfs/dbraw/zinc/75/54/07/572755407.db2.gz SLRBPTKJLUVMRM-UWVGGRQHSA-N 2 1 193.294 1.430 10 0 ADAEMP CCCn1cc[nH+]c1[C@@H]1CC[C@@H]1C[NH3+] 87943062 572755576 /nfs/dbraw/zinc/75/55/76/572755576.db2.gz CAYWWPCRCZZQOX-NXEZZACHSA-N 2 1 193.294 1.745 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CC[C@@H]1C[NH3+] 87942893 572756256 /nfs/dbraw/zinc/75/62/56/572756256.db2.gz SLRBPTKJLUVMRM-NXEZZACHSA-N 2 1 193.294 1.430 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CC[C@H]1C[NH3+] 87942897 572756264 /nfs/dbraw/zinc/75/62/64/572756264.db2.gz SLRBPTKJLUVMRM-ZJUUUORDSA-N 2 1 193.294 1.430 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H]1CC[C@@H]1[NH3+] 87935643 572756296 /nfs/dbraw/zinc/75/62/96/572756296.db2.gz ZXPFUCJXJGKMDL-ZJUUUORDSA-N 2 1 193.294 1.573 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H]1CC[C@@H]1[NH3+] 87935642 572756320 /nfs/dbraw/zinc/75/63/20/572756320.db2.gz ZXPFUCJXJGKMDL-UWVGGRQHSA-N 2 1 193.294 1.573 10 0 ADAEMP CCCn1cc[nH+]c1[C@H]1CC[C@@H]1C[NH3+] 87943064 572756326 /nfs/dbraw/zinc/75/63/26/572756326.db2.gz CAYWWPCRCZZQOX-ZJUUUORDSA-N 2 1 193.294 1.745 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+](C)[C@H](C)C[NH3+])CS1 307638600 572756332 /nfs/dbraw/zinc/75/63/32/572756332.db2.gz YIJUTLPPDDWUIN-HLTSFMKQSA-N 2 1 188.340 1.159 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+](C)[C@H](C)C[NH3+])CS1 307638600 572756335 /nfs/dbraw/zinc/75/63/35/572756335.db2.gz YIJUTLPPDDWUIN-HLTSFMKQSA-N 2 1 188.340 1.159 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+](C)[C@@H]1CS[C@H](C)C1 307638602 572756701 /nfs/dbraw/zinc/75/67/01/572756701.db2.gz YIJUTLPPDDWUIN-YIZRAAEISA-N 2 1 188.340 1.159 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CS[C@H](C)C1 307638602 572756704 /nfs/dbraw/zinc/75/67/04/572756704.db2.gz YIJUTLPPDDWUIN-YIZRAAEISA-N 2 1 188.340 1.159 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H]1CC[C@H]1[NH3+] 87935644 572756827 /nfs/dbraw/zinc/75/68/27/572756827.db2.gz ZXPFUCJXJGKMDL-VHSXEESVSA-N 2 1 193.294 1.573 10 0 ADAEMP CCn1cc[nH+]c1CC(C)(C)C[NH3+] 87934612 572757862 /nfs/dbraw/zinc/75/78/62/572757862.db2.gz KWDBNWDHXNWZNR-UHFFFAOYSA-N 2 1 181.283 1.430 10 0 ADAEMP CCCn1cc[nH+]c1CC(C)(C)C[NH3+] 87934670 572757866 /nfs/dbraw/zinc/75/78/66/572757866.db2.gz RYPIKUINHALMHO-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H](C)C[NH3+])CS1 307638601 572757535 /nfs/dbraw/zinc/75/75/35/572757535.db2.gz YIJUTLPPDDWUIN-IWSPIJDZSA-N 2 1 188.340 1.159 10 0 ADAEMP C[C@@H]1C[C@@H]([N@H+](C)[C@H](C)C[NH3+])CS1 307638601 572757539 /nfs/dbraw/zinc/75/75/39/572757539.db2.gz YIJUTLPPDDWUIN-IWSPIJDZSA-N 2 1 188.340 1.159 10 0 ADAEMP CCCn1cc[nH+]c1[C@@H]1CC[C@H]1C[NH3+] 87943066 572758014 /nfs/dbraw/zinc/75/80/14/572758014.db2.gz CAYWWPCRCZZQOX-VHSXEESVSA-N 2 1 193.294 1.745 10 0 ADAEMP CCCn1cc[nH+]c1[C@H]1CC[C@H]1C[NH3+] 87943067 572758089 /nfs/dbraw/zinc/75/80/89/572758089.db2.gz CAYWWPCRCZZQOX-UWVGGRQHSA-N 2 1 193.294 1.745 10 0 ADAEMP C/C=C\CC[NH2+][C@H](C[NH3+])C(C)C 307923335 572758488 /nfs/dbraw/zinc/75/84/88/572758488.db2.gz FSVDWAMFAOYKNY-UMCURTJPSA-N 2 1 170.300 1.526 10 0 ADAEMP Cc1cccc(NC/C=C\C[NH3+])[nH+]1 308115664 572758533 /nfs/dbraw/zinc/75/85/33/572758533.db2.gz RPMCZTOERRNOTL-IHWYPQMZSA-N 2 1 177.251 1.317 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CC 87947236 572758538 /nfs/dbraw/zinc/75/85/38/572758538.db2.gz RZDUYUBPUBNSGV-UWVGGRQHSA-N 2 1 172.316 1.572 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C1CC1 87947217 572758667 /nfs/dbraw/zinc/75/86/67/572758667.db2.gz FALPGVIHTQUZTD-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP Cn1cc[nH+]c1CC(C)(C)CC[NH3+] 87937248 572758703 /nfs/dbraw/zinc/75/87/03/572758703.db2.gz VPALLWTUKALRRD-UHFFFAOYSA-N 2 1 181.283 1.338 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)CC 87947234 572758824 /nfs/dbraw/zinc/75/88/24/572758824.db2.gz RZDUYUBPUBNSGV-ZJUUUORDSA-N 2 1 172.316 1.572 10 0 ADAEMP CCCn1cc[nH+]c1C[C@H](C)CC[NH3+] 87937105 572759002 /nfs/dbraw/zinc/75/90/02/572759002.db2.gz IJDXZNMFYPWOKP-SNVBAGLBSA-N 2 1 195.310 1.821 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]CC 87947197 572759125 /nfs/dbraw/zinc/75/91/25/572759125.db2.gz TVMFRSHPDYYVQK-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]CC 87947198 572759152 /nfs/dbraw/zinc/75/91/52/572759152.db2.gz TVMFRSHPDYYVQK-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H]1CC[N@@H+](C/C=C\C[NH3+])C1 307923478 572759245 /nfs/dbraw/zinc/75/92/45/572759245.db2.gz LWBYSPJZRXIYCH-XOULXFPDSA-N 2 1 168.284 1.233 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)C(C)C 87947080 572759254 /nfs/dbraw/zinc/75/92/54/572759254.db2.gz FUKJSLLJSKWFFB-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C1CC1 87947220 572759651 /nfs/dbraw/zinc/75/96/51/572759651.db2.gz FALPGVIHTQUZTD-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)CC1CC1 87947614 572759748 /nfs/dbraw/zinc/75/97/48/572759748.db2.gz QTSAGRQMQOSQDC-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP CCCn1cc[nH+]c1[C@@H](C)CC[NH3+] 87937076 572759973 /nfs/dbraw/zinc/75/99/73/572759973.db2.gz VJBQQXBLZDNNPN-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CC 87947232 572759998 /nfs/dbraw/zinc/75/99/98/572759998.db2.gz RZDUYUBPUBNSGV-VHSXEESVSA-N 2 1 172.316 1.572 10 0 ADAEMP CCCn1cc[nH+]c1[C@H](C)CC[NH3+] 87937077 572760047 /nfs/dbraw/zinc/76/00/47/572760047.db2.gz VJBQQXBLZDNNPN-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)CC 87947230 572760098 /nfs/dbraw/zinc/76/00/98/572760098.db2.gz RZDUYUBPUBNSGV-NXEZZACHSA-N 2 1 172.316 1.572 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C1CC1 87947223 572760186 /nfs/dbraw/zinc/76/01/86/572760186.db2.gz FALPGVIHTQUZTD-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 87947611 572760508 /nfs/dbraw/zinc/76/05/08/572760508.db2.gz QTSAGRQMQOSQDC-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CCn1cc[nH+]c1CC(C)(C)CC[NH3+] 87937350 572760527 /nfs/dbraw/zinc/76/05/27/572760527.db2.gz MBZOESIUMXRDCS-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C(C)C 87947082 572760663 /nfs/dbraw/zinc/76/06/63/572760663.db2.gz FUKJSLLJSKWFFB-WDEREUQCSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C(C)C 87947088 572760712 /nfs/dbraw/zinc/76/07/12/572760712.db2.gz FUKJSLLJSKWFFB-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C/C=C\C[NH3+])C1 307923477 572760721 /nfs/dbraw/zinc/76/07/21/572760721.db2.gz LWBYSPJZRXIYCH-UMBAGQNISA-N 2 1 168.284 1.233 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CC1CC1 87947616 572760980 /nfs/dbraw/zinc/76/09/80/572760980.db2.gz QTSAGRQMQOSQDC-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C/C=C\CC[NH2+][C@@H](C[NH3+])C(C)C 307923333 572761107 /nfs/dbraw/zinc/76/11/07/572761107.db2.gz FSVDWAMFAOYKNY-LWTINBJPSA-N 2 1 170.300 1.526 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)CC[NH3+] 87936956 572761138 /nfs/dbraw/zinc/76/11/38/572761138.db2.gz DAIIPYMPAQPKCS-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)[N@H+]1CC[C@H](C)C1 87947647 572761180 /nfs/dbraw/zinc/76/11/80/572761180.db2.gz SODAQELXQUWUFR-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)CC[NH3+] 87937057 572761204 /nfs/dbraw/zinc/76/12/04/572761204.db2.gz SRDXPEYKTAEPDF-SECBINFHSA-N 2 1 181.283 1.430 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H](C)CC[NH3+] 87937104 572761207 /nfs/dbraw/zinc/76/12/07/572761207.db2.gz IJDXZNMFYPWOKP-JTQLQIEISA-N 2 1 195.310 1.821 10 0 ADAEMP C[C@@H]([NH3+])c1nc(C[NH2+]C2CC2)cs1 85550067 572761568 /nfs/dbraw/zinc/76/15/68/572761568.db2.gz HHICMTUTVCJMOF-ZCFIWIBFSA-N 2 1 197.307 1.415 10 0 ADAEMP CC(C)SCC[NH2+][C@H](C)C[NH3+] 307914545 572761647 /nfs/dbraw/zinc/76/16/47/572761647.db2.gz BDSJJXHCVRHYAR-MRVPVSSYSA-N 2 1 176.329 1.065 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)n1cc[nH+]c1C 87949462 572762726 /nfs/dbraw/zinc/76/27/26/572762726.db2.gz VVTPPGAQHACUNU-VHSXEESVSA-N 2 1 195.310 1.998 10 0 ADAEMP C[C@@H](CC[NH2+]C1CC1)c1[nH+]ccn1C 87950551 572761837 /nfs/dbraw/zinc/76/18/37/572761837.db2.gz ZEERMPPHEJLDKK-VIFPVBQESA-N 2 1 193.294 1.666 10 0 ADAEMP C[NH2+]CC[C@@H](C)c1[nH+]ccn1C 87947996 572761852 /nfs/dbraw/zinc/76/18/52/572761852.db2.gz BHOZNTKWSHGJHS-MRVPVSSYSA-N 2 1 167.256 1.133 10 0 ADAEMP CCCC[C@H](CCC)[NH2+]CC[NH3+] 308121505 572761983 /nfs/dbraw/zinc/76/19/83/572761983.db2.gz QIVJTCFFXMWPMX-JTQLQIEISA-N 2 1 172.316 1.894 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CCCCF 308127476 572762971 /nfs/dbraw/zinc/76/29/71/572762971.db2.gz VZBCNZPHCFHZHH-SECBINFHSA-N 2 1 176.279 1.405 10 0 ADAEMP CC(C)[NH2+]CC[C@H](C)c1[nH+]ccn1C 87950281 572762113 /nfs/dbraw/zinc/76/21/13/572762113.db2.gz WOCRNIANGWEULB-JTQLQIEISA-N 2 1 195.310 1.912 10 0 ADAEMP CCC[NH2+]CC[C@@H](C)c1[nH+]ccn1C 87949978 572762136 /nfs/dbraw/zinc/76/21/36/572762136.db2.gz IZNLTROYAFNCCA-SNVBAGLBSA-N 2 1 195.310 1.913 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@H](C)n1cc[nH+]c1C 87949465 572762564 /nfs/dbraw/zinc/76/25/64/572762564.db2.gz VVTPPGAQHACUNU-UWVGGRQHSA-N 2 1 195.310 1.998 10 0 ADAEMP CC[NH2+]CC[C@@H](C)c1[nH+]ccn1C 87949123 572762629 /nfs/dbraw/zinc/76/26/29/572762629.db2.gz XUWIAUKFUBYGDS-SECBINFHSA-N 2 1 181.283 1.523 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)CC[NH2+]C 87948497 572762688 /nfs/dbraw/zinc/76/26/88/572762688.db2.gz CXKPQTWLRDACNG-SECBINFHSA-N 2 1 181.283 1.616 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@@H](C)n1cc[nH+]c1C 87949460 572762765 /nfs/dbraw/zinc/76/27/65/572762765.db2.gz VVTPPGAQHACUNU-NXEZZACHSA-N 2 1 195.310 1.998 10 0 ADAEMP C[C@H]([NH3+])c1nc(C[NH2+]C2CC2)cs1 85550066 572762882 /nfs/dbraw/zinc/76/28/82/572762882.db2.gz HHICMTUTVCJMOF-LURJTMIESA-N 2 1 197.307 1.415 10 0 ADAEMP C[NH2+]CC[C@H](C)Cc1[nH+]ccn1C 87948148 572763075 /nfs/dbraw/zinc/76/30/75/572763075.db2.gz ZULDOBNYBBJTON-VIFPVBQESA-N 2 1 181.283 1.208 10 0 ADAEMP CC[NH2+]CC[C@@H](C)Cc1[nH+]ccn1C 87949266 572763528 /nfs/dbraw/zinc/76/35/28/572763528.db2.gz HZOPKTVNLPWRFK-SNVBAGLBSA-N 2 1 195.310 1.598 10 0 ADAEMP CC(C)[NH2+]CC[C@@H](C)c1[nH+]ccn1C 87950280 572763553 /nfs/dbraw/zinc/76/35/53/572763553.db2.gz WOCRNIANGWEULB-SNVBAGLBSA-N 2 1 195.310 1.912 10 0 ADAEMP CCC[NH2+]CC[C@H](C)c1[nH+]ccn1C 87949979 572763604 /nfs/dbraw/zinc/76/36/04/572763604.db2.gz IZNLTROYAFNCCA-JTQLQIEISA-N 2 1 195.310 1.913 10 0 ADAEMP C[NH2+]CC[C@@H](C)Cc1[nH+]ccn1C 87948150 572763802 /nfs/dbraw/zinc/76/38/02/572763802.db2.gz ZULDOBNYBBJTON-SECBINFHSA-N 2 1 181.283 1.208 10 0 ADAEMP CCN(C)Cc1csc([C@H](C)N)n1 85549574 572763902 /nfs/dbraw/zinc/76/39/02/572763902.db2.gz JTPTXESQPJITPA-ZETCQYMHSA-N 2 1 199.323 1.615 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@H](C)n1cc[nH+]c1C 87949463 572764148 /nfs/dbraw/zinc/76/41/48/572764148.db2.gz VVTPPGAQHACUNU-ZJUUUORDSA-N 2 1 195.310 1.998 10 0 ADAEMP CC[NH2+]CC[C@H](C)c1[nH+]ccn1C 87949124 572764183 /nfs/dbraw/zinc/76/41/83/572764183.db2.gz XUWIAUKFUBYGDS-VIFPVBQESA-N 2 1 181.283 1.523 10 0 ADAEMP CC(C)SCC[NH2+][C@@H](C)C[NH3+] 307914546 572764231 /nfs/dbraw/zinc/76/42/31/572764231.db2.gz BDSJJXHCVRHYAR-QMMMGPOBSA-N 2 1 176.329 1.065 10 0 ADAEMP C[NH2+]CC[C@H](C)c1[nH+]ccn1C 87947995 572764426 /nfs/dbraw/zinc/76/44/26/572764426.db2.gz BHOZNTKWSHGJHS-QMMMGPOBSA-N 2 1 167.256 1.133 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)CC[NH2+]C 87948495 572764460 /nfs/dbraw/zinc/76/44/60/572764460.db2.gz CXKPQTWLRDACNG-VIFPVBQESA-N 2 1 181.283 1.616 10 0 ADAEMP C[C@H](CC[NH2+]C1CC1)c1[nH+]ccn1C 87950552 572764499 /nfs/dbraw/zinc/76/44/99/572764499.db2.gz ZEERMPPHEJLDKK-SECBINFHSA-N 2 1 193.294 1.666 10 0 ADAEMP CC[NH2+]CC[C@H](C)Cc1[nH+]ccn1C 87949267 572764540 /nfs/dbraw/zinc/76/45/40/572764540.db2.gz HZOPKTVNLPWRFK-JTQLQIEISA-N 2 1 195.310 1.598 10 0 ADAEMP CC[N@H+](C)Cc1csc(CC[NH3+])n1 85549578 572764677 /nfs/dbraw/zinc/76/46/77/572764677.db2.gz MEMQSHGEEOQSAG-UHFFFAOYSA-N 2 1 199.323 1.096 10 0 ADAEMP CC[N@@H+](C)Cc1csc(CC[NH3+])n1 85549578 572764682 /nfs/dbraw/zinc/76/46/82/572764682.db2.gz MEMQSHGEEOQSAG-UHFFFAOYSA-N 2 1 199.323 1.096 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CCCCF 308127477 572764903 /nfs/dbraw/zinc/76/49/03/572764903.db2.gz VZBCNZPHCFHZHH-VIFPVBQESA-N 2 1 176.279 1.405 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236215107 572764954 /nfs/dbraw/zinc/76/49/54/572764954.db2.gz LBZSHVRIIWPMLB-SNVBAGLBSA-N 2 1 194.322 1.457 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)c1[nH+]ccn1C 87951416 572765226 /nfs/dbraw/zinc/76/52/26/572765226.db2.gz WAAJFVGJCJOWHB-DTWKUNHWSA-N 2 1 181.283 1.379 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)c1[nH+]ccn1C 87951418 572765294 /nfs/dbraw/zinc/76/52/94/572765294.db2.gz WAAJFVGJCJOWHB-IUCAKERBSA-N 2 1 181.283 1.379 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)[C@H](C)C[NH2+]C 87951769 572765483 /nfs/dbraw/zinc/76/54/83/572765483.db2.gz QMGISRVHZHSVKQ-ZJUUUORDSA-N 2 1 195.310 1.862 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)Cc1[nH+]ccn1C 87951526 572765794 /nfs/dbraw/zinc/76/57/94/572765794.db2.gz GOVFCWKSLOAACG-VHSXEESVSA-N 2 1 195.310 1.454 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)[C@@H](C)C[NH2+]C 87951768 572765854 /nfs/dbraw/zinc/76/58/54/572765854.db2.gz QMGISRVHZHSVKQ-VHSXEESVSA-N 2 1 195.310 1.862 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 85579314 572765933 /nfs/dbraw/zinc/76/59/33/572765933.db2.gz BHBRCZWFBQMIKM-NSHDSACASA-N 2 1 193.294 1.056 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@@H](C)c1[nH+]ccn1C 87952096 572766138 /nfs/dbraw/zinc/76/61/38/572766138.db2.gz SZEHVFSDQDPYDJ-VHSXEESVSA-N 2 1 195.310 1.769 10 0 ADAEMP CC[NH2+]C[C@H](C)[C@H](C)c1[nH+]ccn1C 87952098 572766193 /nfs/dbraw/zinc/76/61/93/572766193.db2.gz SZEHVFSDQDPYDJ-UWVGGRQHSA-N 2 1 195.310 1.769 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@@H](C)c1[nH+]ccn1C 87952095 572766331 /nfs/dbraw/zinc/76/63/31/572766331.db2.gz SZEHVFSDQDPYDJ-NXEZZACHSA-N 2 1 195.310 1.769 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)c1[nH+]ccn1C 87951417 572766451 /nfs/dbraw/zinc/76/64/51/572766451.db2.gz WAAJFVGJCJOWHB-RKDXNWHRSA-N 2 1 181.283 1.379 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)c1[nH+]ccn1C 87951419 572766566 /nfs/dbraw/zinc/76/65/66/572766566.db2.gz WAAJFVGJCJOWHB-BDAKNGLRSA-N 2 1 181.283 1.379 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)Cc1[nH+]ccn1C 87951524 572766696 /nfs/dbraw/zinc/76/66/96/572766696.db2.gz GOVFCWKSLOAACG-UWVGGRQHSA-N 2 1 195.310 1.454 10 0 ADAEMP CCn1cc[nH+]c1[C@@H](C)[C@@H](C)C[NH2+]C 87951767 572766930 /nfs/dbraw/zinc/76/69/30/572766930.db2.gz QMGISRVHZHSVKQ-UWVGGRQHSA-N 2 1 195.310 1.862 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@H](C)c1[nH+]ccn1C 87952097 572767000 /nfs/dbraw/zinc/76/70/00/572767000.db2.gz SZEHVFSDQDPYDJ-ZJUUUORDSA-N 2 1 195.310 1.769 10 0 ADAEMP CCn1cc[nH+]c1[C@H](C)[C@H](C)C[NH2+]C 87951770 572767017 /nfs/dbraw/zinc/76/70/17/572767017.db2.gz QMGISRVHZHSVKQ-NXEZZACHSA-N 2 1 195.310 1.862 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)Cc1[nH+]ccn1C 87951527 572767058 /nfs/dbraw/zinc/76/70/58/572767058.db2.gz GOVFCWKSLOAACG-NXEZZACHSA-N 2 1 195.310 1.454 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)Cc1[nH+]ccn1C 87951525 572767242 /nfs/dbraw/zinc/76/72/42/572767242.db2.gz GOVFCWKSLOAACG-ZJUUUORDSA-N 2 1 195.310 1.454 10 0 ADAEMP CC[NH2+][C@@](C)(C[NH3+])[C@@H](C)CC 307919065 572768565 /nfs/dbraw/zinc/76/85/65/572768565.db2.gz GCRHHFDMKWFTCG-IUCAKERBSA-N 2 1 158.289 1.359 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1Cc1[nH+]ccn1C 87954393 572768580 /nfs/dbraw/zinc/76/85/80/572768580.db2.gz GMQKSEPDPBWNTR-UWVGGRQHSA-N 2 1 193.294 1.208 10 0 ADAEMP CC[NH2+][C@](C)(C[NH3+])[C@H](C)CC 307919066 572768617 /nfs/dbraw/zinc/76/86/17/572768617.db2.gz GCRHHFDMKWFTCG-RKDXNWHRSA-N 2 1 158.289 1.359 10 0 ADAEMP CSC1(C[NH2+]CC[NH3+])CCCC1 308123513 572768758 /nfs/dbraw/zinc/76/87/58/572768758.db2.gz SQMQKVGIAZMSKL-UHFFFAOYSA-N 2 1 188.340 1.211 10 0 ADAEMP CC[N@@H+](C)CC(C)(C)[C@H](C)[NH2+]C 85678407 572768838 /nfs/dbraw/zinc/76/88/38/572768838.db2.gz CGNSGMBACBLEBZ-VIFPVBQESA-N 2 1 172.316 1.572 10 0 ADAEMP C[C@@H]([NH3+])C(C)(C)C[N@@H+](C)C1CC1 85678428 572769116 /nfs/dbraw/zinc/76/91/16/572769116.db2.gz BJBZIKMMRWSGQW-MRVPVSSYSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CCSC 307918367 572769211 /nfs/dbraw/zinc/76/92/11/572769211.db2.gz DUAUXOAMFMCLNA-QMMMGPOBSA-N 2 1 176.329 1.066 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1c1[nH+]ccn1C 87955106 572769261 /nfs/dbraw/zinc/76/92/61/572769261.db2.gz LTPIMGJTQHQRAB-UWVGGRQHSA-N 2 1 193.294 1.523 10 0 ADAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+](C)C1CC1 85678426 572769315 /nfs/dbraw/zinc/76/93/15/572769315.db2.gz BJBZIKMMRWSGQW-QMMMGPOBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@@H]1c1[nH+]ccn1C 87955107 572769445 /nfs/dbraw/zinc/76/94/45/572769445.db2.gz LTPIMGJTQHQRAB-ZJUUUORDSA-N 2 1 193.294 1.523 10 0 ADAEMP CC(C)[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678212 572769343 /nfs/dbraw/zinc/76/93/43/572769343.db2.gz BACSKQTWFORUOA-SECBINFHSA-N 2 1 172.316 1.700 10 0 ADAEMP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)CC 85678401 572769363 /nfs/dbraw/zinc/76/93/63/572769363.db2.gz KACKUOXMRVIQJS-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678468 572769646 /nfs/dbraw/zinc/76/96/46/572769646.db2.gz OIJQMNUWHKINBT-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C(C)C 85678225 572769682 /nfs/dbraw/zinc/76/96/82/572769682.db2.gz ZDYRVGKDWCNRQC-SNVBAGLBSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1c1[nH+]ccn1C 87955108 572769733 /nfs/dbraw/zinc/76/97/33/572769733.db2.gz LTPIMGJTQHQRAB-VHSXEESVSA-N 2 1 193.294 1.523 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1Cc1[nH+]ccn1C 87954394 572769784 /nfs/dbraw/zinc/76/97/84/572769784.db2.gz GMQKSEPDPBWNTR-VHSXEESVSA-N 2 1 193.294 1.208 10 0 ADAEMP C[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C1CC1 85678437 572769803 /nfs/dbraw/zinc/76/98/03/572769803.db2.gz FNZZRUDXWNXRIV-VIFPVBQESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1Cc1[nH+]ccn1C 87954391 572769820 /nfs/dbraw/zinc/76/98/20/572769820.db2.gz GMQKSEPDPBWNTR-ZJUUUORDSA-N 2 1 193.294 1.208 10 0 ADAEMP C[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C1CC1 85678439 572769877 /nfs/dbraw/zinc/76/98/77/572769877.db2.gz FNZZRUDXWNXRIV-SECBINFHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85679630 572769950 /nfs/dbraw/zinc/76/99/50/572769950.db2.gz OXOVDDUAEHNWJX-MXWKQRLJSA-N 2 1 198.354 1.948 10 0 ADAEMP C[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C(C)C 85678228 572770002 /nfs/dbraw/zinc/77/00/02/572770002.db2.gz ZDYRVGKDWCNRQC-JTQLQIEISA-N 2 1 186.343 1.961 10 0 ADAEMP C[C@H]([NH3+])C(C)(C)C[N@@H+](C)CC1CC1 85678838 572770069 /nfs/dbraw/zinc/77/00/69/572770069.db2.gz DEZNTQSFBHULII-VIFPVBQESA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1Cc1[nH+]ccn1C 87954392 572770078 /nfs/dbraw/zinc/77/00/78/572770078.db2.gz GMQKSEPDPBWNTR-NXEZZACHSA-N 2 1 193.294 1.208 10 0 ADAEMP C/C=C\C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 308125901 572770361 /nfs/dbraw/zinc/77/03/61/572770361.db2.gz CYZNAQNTFJIKFT-DLRQAJBASA-N 2 1 182.311 1.494 10 0 ADAEMP C/C=C\C[N@@H+](C)C[C@H]1CCC[NH2+]C1 308125898 572770461 /nfs/dbraw/zinc/77/04/61/572770461.db2.gz CYZNAQNTFJIKFT-BYCRGOAPSA-N 2 1 182.311 1.494 10 0 ADAEMP C[C@@H]([NH3+])C(C)(C)C[N@@H+](C)CC1CC1 85678841 572770604 /nfs/dbraw/zinc/77/06/04/572770604.db2.gz DEZNTQSFBHULII-SECBINFHSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@@H+](C)CC(C)(C)[C@@H](C)[NH2+]C 85678478 572770954 /nfs/dbraw/zinc/77/09/54/572770954.db2.gz UAXVQRUYQRLYDQ-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP CC(C)C[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678494 572770966 /nfs/dbraw/zinc/77/09/66/572770966.db2.gz ZUDQQTINFRYULK-SNVBAGLBSA-N 2 1 186.343 1.948 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCC[N@H+]1CCCF 308125976 572770998 /nfs/dbraw/zinc/77/09/98/572770998.db2.gz AKGRPXBKOIVFKJ-ZJUUUORDSA-N 2 1 188.290 1.548 10 0 ADAEMP CCC[N@@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85678467 572771147 /nfs/dbraw/zinc/77/11/47/572771147.db2.gz OIJQMNUWHKINBT-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)C[N@@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678496 572771545 /nfs/dbraw/zinc/77/15/45/572771545.db2.gz ZUDQQTINFRYULK-JTQLQIEISA-N 2 1 186.343 1.948 10 0 ADAEMP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)CC 85678403 572771752 /nfs/dbraw/zinc/77/17/52/572771752.db2.gz KACKUOXMRVIQJS-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP C/C=C\CC[NH2+][C@H](C[NH3+])CCC 307924191 572771819 /nfs/dbraw/zinc/77/18/19/572771819.db2.gz BKAQMVUPFWJUNK-ATPLWMGHSA-N 2 1 170.300 1.670 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]1CCCF 308125968 572771839 /nfs/dbraw/zinc/77/18/39/572771839.db2.gz AKGRPXBKOIVFKJ-UWVGGRQHSA-N 2 1 188.290 1.548 10 0 ADAEMP CCC[N@@H+](C)CC(C)(C)[C@H](C)[NH2+]C 85678480 572772001 /nfs/dbraw/zinc/77/20/01/572772001.db2.gz UAXVQRUYQRLYDQ-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP CC(C)[N@@H+](C)CC(C)(C)[C@H](C)[NH3+] 85678213 572772045 /nfs/dbraw/zinc/77/20/45/572772045.db2.gz BACSKQTWFORUOA-VIFPVBQESA-N 2 1 172.316 1.700 10 0 ADAEMP C/C=C\CC[NH2+]C1(C[NH3+])CCC1 307923879 572772113 /nfs/dbraw/zinc/77/21/13/572772113.db2.gz GVWPJDBPKRRKOF-IHWYPQMZSA-N 2 1 168.284 1.424 10 0 ADAEMP CC[N@@H+](CC(C)(C)[C@@H](C)[NH3+])C1CC1 85678409 572772128 /nfs/dbraw/zinc/77/21/28/572772128.db2.gz NWHHLIUGRVCPFD-SECBINFHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CCCCF)C1 308125221 572772194 /nfs/dbraw/zinc/77/21/94/572772194.db2.gz ANQFHHKGEAHXHE-SNVBAGLBSA-N 2 1 188.290 1.277 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+](C)CC(C)(C)[C@@H](C)[NH3+] 85679626 572772206 /nfs/dbraw/zinc/77/22/06/572772206.db2.gz OXOVDDUAEHNWJX-GMTAPVOTSA-N 2 1 198.354 1.948 10 0 ADAEMP [NH3+]CC/C=C1\CC[N@H+]2CCC[C@H]12 307931710 572772663 /nfs/dbraw/zinc/77/26/63/572772663.db2.gz YCIPTKFBKFAJGY-OTVCUZDGSA-N 2 1 166.268 1.130 10 0 ADAEMP CC[N@@H+](CC(C)(C)[C@H](C)[NH3+])C1CC1 85678411 572772780 /nfs/dbraw/zinc/77/27/80/572772780.db2.gz NWHHLIUGRVCPFD-VIFPVBQESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCC[N@H+]1CCCF 308125971 572772799 /nfs/dbraw/zinc/77/27/99/572772799.db2.gz AKGRPXBKOIVFKJ-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCC[N@H+]1CCCF 308125966 572773125 /nfs/dbraw/zinc/77/31/25/572773125.db2.gz AKGRPXBKOIVFKJ-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP C[NH2+]CCC(C)(C)Cc1[nH+]ccn1C 87957047 572773222 /nfs/dbraw/zinc/77/32/22/572773222.db2.gz PPXFPYFLELDTJT-UHFFFAOYSA-N 2 1 195.310 1.598 10 0 ADAEMP CC=CCC[NH2+]Cc1c[nH]cn1 307923783 572773386 /nfs/dbraw/zinc/77/33/86/572773386.db2.gz BAWBWABQXVHCKM-IHWYPQMZSA-N 2 1 165.240 1.466 10 0 ADAEMP [NH3+]CC/C=C1\CC[N@H+]2CCC[C@@H]12 307931712 572773583 /nfs/dbraw/zinc/77/35/83/572773583.db2.gz YCIPTKFBKFAJGY-RZCNENHTSA-N 2 1 166.268 1.130 10 0 ADAEMP C/C=C\CC[NH2+][C@@H](C[NH3+])CCC 307924193 572773631 /nfs/dbraw/zinc/77/36/31/572773631.db2.gz BKAQMVUPFWJUNK-TZGMSPROSA-N 2 1 170.300 1.670 10 0 ADAEMP CC[N@H+](C)CC[C@@H]1CSCC[NH2+]1 85615239 572774274 /nfs/dbraw/zinc/77/42/74/572774274.db2.gz OVBFIMWNWNTYCI-SECBINFHSA-N 2 1 188.340 1.033 10 0 ADAEMP CC[N@@H+](C)CC[C@@H]1CSCC[NH2+]1 85615239 572774275 /nfs/dbraw/zinc/77/42/75/572774275.db2.gz OVBFIMWNWNTYCI-SECBINFHSA-N 2 1 188.340 1.033 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]CC(C)(C)F 308116889 572774491 /nfs/dbraw/zinc/77/44/91/572774491.db2.gz MXQOAUARWRSDEH-MRVPVSSYSA-N 2 1 176.279 1.307 10 0 ADAEMP CCC[N@H+](C)CCNC1=[NH+]CCC1 688689554 572774578 /nfs/dbraw/zinc/77/45/78/572774578.db2.gz UFQIZIZOVHHAPQ-UHFFFAOYSA-N 2 1 183.299 1.110 10 0 ADAEMP CCC[N@@H+](C)CCNC1=[NH+]CCC1 688689554 572774583 /nfs/dbraw/zinc/77/45/83/572774583.db2.gz UFQIZIZOVHHAPQ-UHFFFAOYSA-N 2 1 183.299 1.110 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]CC(C)(C)F 308116890 572774966 /nfs/dbraw/zinc/77/49/66/572774966.db2.gz MXQOAUARWRSDEH-QMMMGPOBSA-N 2 1 176.279 1.307 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CC1(C)CCCC1 308118349 572776043 /nfs/dbraw/zinc/77/60/43/572776043.db2.gz BDGBEHYFPGXLLH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCC[NH2+][C@@](C)(CC)C[NH3+] 307928115 572776254 /nfs/dbraw/zinc/77/62/54/572776254.db2.gz AHISBGLKIRDJKM-JTQLQIEISA-N 2 1 172.316 1.894 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCCCF 307928722 572776317 /nfs/dbraw/zinc/77/63/17/572776317.db2.gz TZKAAEWORFRODF-MRVPVSSYSA-N 2 1 162.252 1.015 10 0 ADAEMP CCCCC[NH2+][C@](C)(CC)C[NH3+] 307928116 572776674 /nfs/dbraw/zinc/77/66/74/572776674.db2.gz AHISBGLKIRDJKM-SNVBAGLBSA-N 2 1 172.316 1.894 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCCCF 307928723 572776827 /nfs/dbraw/zinc/77/68/27/572776827.db2.gz TZKAAEWORFRODF-QMMMGPOBSA-N 2 1 162.252 1.015 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CC1(C)CCC1 307928923 572777633 /nfs/dbraw/zinc/77/76/33/572777633.db2.gz AVVIJMHLZZORKV-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CC1(C)CCCC1 308118350 572778006 /nfs/dbraw/zinc/77/80/06/572778006.db2.gz BDGBEHYFPGXLLH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@@H+](CC)[C@@H]1CC[C@@H]([NH3+])C1 223111138 572778723 /nfs/dbraw/zinc/77/87/23/572778723.db2.gz QYZGCRBORUKFLJ-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@H+](C[C@H]([NH3+])CC1CC1)C1CC1 307928901 572778628 /nfs/dbraw/zinc/77/86/28/572778628.db2.gz AVBJIMJAXFNBPN-SECBINFHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C[C@H]([NH3+])CC1CC1)C1CC1 307928901 572778631 /nfs/dbraw/zinc/77/86/31/572778631.db2.gz AVBJIMJAXFNBPN-SECBINFHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CC1(C)CCC1 307928921 572778826 /nfs/dbraw/zinc/77/88/26/572778826.db2.gz AVVIJMHLZZORKV-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP [NH3+][C@H](C[NH2+]C1CC1)CC(F)(F)F 308119919 572779236 /nfs/dbraw/zinc/77/92/36/572779236.db2.gz OKSPHSANWYGTQE-YFKPBYRVSA-N 2 1 182.189 1.018 10 0 ADAEMP C[N@H+](C[C@@H]([NH3+])CC1CC1)C1CC1 307928903 572779294 /nfs/dbraw/zinc/77/92/94/572779294.db2.gz AVBJIMJAXFNBPN-VIFPVBQESA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C[C@@H]([NH3+])CC1CC1)C1CC1 307928903 572779296 /nfs/dbraw/zinc/77/92/96/572779296.db2.gz AVBJIMJAXFNBPN-VIFPVBQESA-N 2 1 168.284 1.208 10 0 ADAEMP CSCCCCCC[NH2+]CC[NH3+] 308120437 572779865 /nfs/dbraw/zinc/77/98/65/572779865.db2.gz PDXWNZCWXYBLSB-UHFFFAOYSA-N 2 1 190.356 1.458 10 0 ADAEMP CC(=[NH2+])N[C@H](C)C[N@H+](C)C(C)C 308120372 572780178 /nfs/dbraw/zinc/78/01/78/572780178.db2.gz OZXXWNXTBGFUTG-MRVPVSSYSA-N 2 1 171.288 1.302 10 0 ADAEMP CC(=[NH2+])N[C@@H](C)C[N@H+](C)C(C)C 308120373 572781672 /nfs/dbraw/zinc/78/16/72/572781672.db2.gz OZXXWNXTBGFUTG-QMMMGPOBSA-N 2 1 171.288 1.302 10 0 ADAEMP [NH3+][C@@H](C[NH2+]C1CC1)CC(F)(F)F 308119918 572781954 /nfs/dbraw/zinc/78/19/54/572781954.db2.gz OKSPHSANWYGTQE-RXMQYKEDSA-N 2 1 182.189 1.018 10 0 ADAEMP [NH3+]C[C@H](CC1CC1)C[N@@H+]1C[C@H]2C[C@H]2C1 404706806 572782217 /nfs/dbraw/zinc/78/22/17/572782217.db2.gz AZPGPFNOJDFSCS-SDDRHHMPSA-N 2 1 194.322 1.313 10 0 ADAEMP C[N@H+]1CC[C@H](CN2CCCCC2=[NH2+])C1 49584257 572782319 /nfs/dbraw/zinc/78/23/19/572782319.db2.gz HFIWBYYIVFDSOD-JTQLQIEISA-N 2 1 195.310 1.401 10 0 ADAEMP [NH3+]C[C@@H](CC1CC1)C[N@@H+]1C[C@H]2C[C@H]2C1 404706818 572782823 /nfs/dbraw/zinc/78/28/23/572782823.db2.gz AZPGPFNOJDFSCS-UTUOFQBUSA-N 2 1 194.322 1.313 10 0 ADAEMP C[N@H+]1CC[C@H](N2CCCCC2=[NH2+])C1 49584282 572783586 /nfs/dbraw/zinc/78/35/86/572783586.db2.gz AYXQGHQOWCJMOP-VIFPVBQESA-N 2 1 181.283 1.154 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCCF)C1 308129063 572783741 /nfs/dbraw/zinc/78/37/41/572783741.db2.gz CQTJKAKKJWWFIV-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCCF)C1 308129063 572783743 /nfs/dbraw/zinc/78/37/43/572783743.db2.gz CQTJKAKKJWWFIV-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[N@H+]1CCC[C@H](N2CCCCC2=[NH2+])C1 49584273 572784023 /nfs/dbraw/zinc/78/40/23/572784023.db2.gz WBXMBMJVFKIMAH-JTQLQIEISA-N 2 1 195.310 1.544 10 0 ADAEMP C[NH+](C)CCN1CCCCC1=[NH2+] 49583849 572784044 /nfs/dbraw/zinc/78/40/44/572784044.db2.gz CMDOTOJSKHVMRR-UHFFFAOYSA-N 2 1 169.272 1.011 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCCF)C1 308129060 572784176 /nfs/dbraw/zinc/78/41/76/572784176.db2.gz CQTJKAKKJWWFIV-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCCF)C1 308129060 572784179 /nfs/dbraw/zinc/78/41/79/572784179.db2.gz CQTJKAKKJWWFIV-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCCF)C1 308129058 572784865 /nfs/dbraw/zinc/78/48/65/572784865.db2.gz CQTJKAKKJWWFIV-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCCF)C1 308129058 572784868 /nfs/dbraw/zinc/78/48/68/572784868.db2.gz CQTJKAKKJWWFIV-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]CCCF 308129454 572785181 /nfs/dbraw/zinc/78/51/81/572785181.db2.gz BHTWVYBMEBTDOC-UHFFFAOYSA-N 2 1 185.246 1.141 10 0 ADAEMP C[NH2+]C1(C[NH2+]C2CC2)CCCC1 307932092 572785481 /nfs/dbraw/zinc/78/54/81/572785481.db2.gz ABFLZZZJZDPJBB-UHFFFAOYSA-N 2 1 168.284 1.271 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]C/C=C/Cl 308131179 572786263 /nfs/dbraw/zinc/78/62/63/572786263.db2.gz DVKFIKJBAQWRQT-NSCUHMNNSA-N 2 1 199.685 1.534 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2cccnc2)[NH2+]1 714550086 572786311 /nfs/dbraw/zinc/78/63/11/572786311.db2.gz OKVXNRCKIQVJJQ-MIMYLULJSA-N 2 1 191.278 1.222 10 0 ADAEMP CCC[C@H](N)c1cc(N)c(C)c[nH+]1 713750912 572786522 /nfs/dbraw/zinc/78/65/22/572786522.db2.gz XCROHPXCRVWRBR-QMMMGPOBSA-N 2 1 179.267 1.772 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCCF)[C@H]1C[NH3+] 308131455 572786849 /nfs/dbraw/zinc/78/68/49/572786849.db2.gz DZUNSGQMADKEBS-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCCF)CC[NH2+]1 308131211 572787063 /nfs/dbraw/zinc/78/70/63/572787063.db2.gz JAMRRFMNSAFJPM-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP CCC[C@@H](N)c1cc(N)c(C)c[nH+]1 713750907 572787692 /nfs/dbraw/zinc/78/76/92/572787692.db2.gz XCROHPXCRVWRBR-MRVPVSSYSA-N 2 1 179.267 1.772 10 0 ADAEMP CC[NH2+][C@H](C)[C@@](C)(CC)[NH+](C)C 85746746 572787817 /nfs/dbraw/zinc/78/78/17/572787817.db2.gz JCVHVIHFBVOHSI-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@](C)([C@@H]([NH2+]C)C(C)C)[NH+](C)C 85746366 572787922 /nfs/dbraw/zinc/78/79/22/572787922.db2.gz CVLBMJDZAFRTMB-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)[NH2+]CC[C@H]1CCCC[N@H+]1C 49633211 572788055 /nfs/dbraw/zinc/78/80/55/572788055.db2.gz UHPVHVPXFCGTMD-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1CC[N@H+](CCCCF)[C@@H]1C[NH3+] 308131449 572788289 /nfs/dbraw/zinc/78/82/89/572788289.db2.gz DZUNSGQMADKEBS-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCCF)[C@@H]1C[NH3+] 308131449 572788294 /nfs/dbraw/zinc/78/82/94/572788294.db2.gz DZUNSGQMADKEBS-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCF 238554108 572788363 /nfs/dbraw/zinc/78/83/63/572788363.db2.gz NVWFSNPGPCUSED-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@H+]1CCCCF 238554108 572788372 /nfs/dbraw/zinc/78/83/72/572788372.db2.gz NVWFSNPGPCUSED-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP CC[C@@](C)([C@H]([NH2+]C)C1CC1)[NH+](C)C 85746468 572788510 /nfs/dbraw/zinc/78/85/10/572788510.db2.gz AWDSBBAARQXLKG-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCCF)CC[NH2+]1 308131210 572788558 /nfs/dbraw/zinc/78/85/58/572788558.db2.gz JAMRRFMNSAFJPM-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2cccnc2)[NH2+]1 714550083 572788676 /nfs/dbraw/zinc/78/86/76/572788676.db2.gz OKVXNRCKIQVJJQ-IEBDPFPHSA-N 2 1 191.278 1.222 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2cccnc2)[NH2+]1 714550082 572788911 /nfs/dbraw/zinc/78/89/11/572788911.db2.gz OKVXNRCKIQVJJQ-FBIMIBRVSA-N 2 1 191.278 1.222 10 0 ADAEMP CC[C@](C)([C@@H]([NH2+]C)C(C)C)[NH+](C)C 85746368 572788955 /nfs/dbraw/zinc/78/89/55/572788955.db2.gz CVLBMJDZAFRTMB-WDEREUQCSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+][C@@H](C)[C@](C)(CC)[NH+](C)C 85746749 572788989 /nfs/dbraw/zinc/78/89/89/572788989.db2.gz JCVHVIHFBVOHSI-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@H](c2cccnc2)[NH2+]1 714550080 572789027 /nfs/dbraw/zinc/78/90/27/572789027.db2.gz OKVXNRCKIQVJJQ-DVVUODLYSA-N 2 1 191.278 1.222 10 0 ADAEMP C[C@H]1CC[N@H+](CCCCF)[C@@H]1C[NH3+] 308131453 572789065 /nfs/dbraw/zinc/78/90/65/572789065.db2.gz DZUNSGQMADKEBS-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCCF)[C@@H]1C[NH3+] 308131453 572789070 /nfs/dbraw/zinc/78/90/70/572789070.db2.gz DZUNSGQMADKEBS-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP CCSCC[NH2+]CC(C)(C)[NH2+]C 308131523 572789145 /nfs/dbraw/zinc/78/91/45/572789145.db2.gz XUIRQHVTNHSUNW-UHFFFAOYSA-N 2 1 190.356 1.327 10 0 ADAEMP CCCC/C=C(\C)[NH2+]CC[NH3+] 307767548 572789418 /nfs/dbraw/zinc/78/94/18/572789418.db2.gz BRALRHFYAASEEO-RMKNXTFCSA-N 2 1 156.273 1.629 10 0 ADAEMP CC[NH2+][C@@H](CC)C(C)(C)[NH+](C)C 85737799 572789519 /nfs/dbraw/zinc/78/95/19/572789519.db2.gz QADGPDBFFCRZMT-VIFPVBQESA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@](C)(CC)[NH+](C)C 85746001 572789557 /nfs/dbraw/zinc/78/95/57/572789557.db2.gz GSMQEXBVQSMEHC-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@H]([NH2+]C)[C@](C)(CC)[NH+](C)C 85745999 572789646 /nfs/dbraw/zinc/78/96/46/572789646.db2.gz GSMQEXBVQSMEHC-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@](C)([C@@H]([NH2+]C)C1CC1)[NH+](C)C 85746473 572789883 /nfs/dbraw/zinc/78/98/83/572789883.db2.gz AWDSBBAARQXLKG-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H](C(C)C)C(C)(C)[NH+](C)C 85738102 572790039 /nfs/dbraw/zinc/79/00/39/572790039.db2.gz CFJUDQVCKLAEOY-SNVBAGLBSA-N 2 1 186.343 1.961 10 0 ADAEMP CCC[NH2+][C@H](C)C(C)(C)[NH+](C)C 85738240 572790207 /nfs/dbraw/zinc/79/02/07/572790207.db2.gz PWAVYGWUDQOOIP-SECBINFHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](C1CC1)C(C)(C)[NH+](C)C 85738092 572790224 /nfs/dbraw/zinc/79/02/24/572790224.db2.gz LWSVKNJNXWDSKJ-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)C(C)(C)[NH+](C)C 85737803 572790239 /nfs/dbraw/zinc/79/02/39/572790239.db2.gz QADGPDBFFCRZMT-SECBINFHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@](C)([C@@H]([NH2+]C)C1CC1)[NH+](C)C 85746476 572790277 /nfs/dbraw/zinc/79/02/77/572790277.db2.gz AWDSBBAARQXLKG-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@](C)(CC)[NH+](C)C 85745996 572791362 /nfs/dbraw/zinc/79/13/62/572791362.db2.gz GSMQEXBVQSMEHC-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP COc1cc[nH+]cc1CC[C@@H](C)[NH3+] 308131894 572791453 /nfs/dbraw/zinc/79/14/53/572791453.db2.gz FHSXXYTUGWDUCE-MRVPVSSYSA-N 2 1 180.251 1.370 10 0 ADAEMP CC[NH2+][C@@H](C(C)C)C(C)(C)[NH+](C)C 85738100 572790863 /nfs/dbraw/zinc/79/08/63/572790863.db2.gz CFJUDQVCKLAEOY-JTQLQIEISA-N 2 1 186.343 1.961 10 0 ADAEMP CC[NH2+][C@@H](C1CC1)C(C)(C)[NH+](C)C 85738090 572790871 /nfs/dbraw/zinc/79/08/71/572790871.db2.gz LWSVKNJNXWDSKJ-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@](C)([C@H]([NH2+]C)C1CC1)[NH+](C)C 85746471 572790933 /nfs/dbraw/zinc/79/09/33/572790933.db2.gz AWDSBBAARQXLKG-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@](C)(CC)[NH+](C)C 85746752 572790989 /nfs/dbraw/zinc/79/09/89/572790989.db2.gz JCVHVIHFBVOHSI-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@](C)([C@H]([NH2+]C)C(C)C)[NH+](C)C 85746363 572791531 /nfs/dbraw/zinc/79/15/31/572791531.db2.gz CVLBMJDZAFRTMB-GHMZBOCLSA-N 2 1 186.343 1.961 10 0 ADAEMP CCC[N@H+]1CC[NH2+][C@@H](CC)CC1 49661550 572792454 /nfs/dbraw/zinc/79/24/54/572792454.db2.gz OIIWSPMYCMCNIL-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC)CC[NH2+]1 49661500 572792308 /nfs/dbraw/zinc/79/23/08/572792308.db2.gz OJZZFYBPDMMRAL-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)CC[C@H](C)[NH2+]1 49663007 572792336 /nfs/dbraw/zinc/79/23/36/572792336.db2.gz OZLRYLUVIFHZSH-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CC1CCCC1 308127793 572792450 /nfs/dbraw/zinc/79/24/50/572792450.db2.gz CARPIJDPGCICRP-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC2CC2)CC[NH2+]1 49660759 572792561 /nfs/dbraw/zinc/79/25/61/572792561.db2.gz ZXVDWRDMDAZJCS-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+][C@@H](C)CC1 49663033 572792872 /nfs/dbraw/zinc/79/28/72/572792872.db2.gz SEIYPWVTKPRFLI-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C2CC2)CC[NH2+]1 49661508 572792902 /nfs/dbraw/zinc/79/29/02/572792902.db2.gz POMQGEVGXXAXHP-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)CC[NH2+]1 49661508 572792903 /nfs/dbraw/zinc/79/29/03/572792903.db2.gz POMQGEVGXXAXHP-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CC2)C[C@H](C)C[NH2+]1 49662931 572792912 /nfs/dbraw/zinc/79/29/12/572792912.db2.gz IGTVDPIWKPWZFD-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H]1CC[N@@H+]([C@@H](C)CC)CC[NH2+]1 49661367 572792929 /nfs/dbraw/zinc/79/29/29/572792929.db2.gz NRYITMZMGGGUGQ-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49663041 572793030 /nfs/dbraw/zinc/79/30/30/572793030.db2.gz JVCBCBATZIJPSC-PHIMTYICSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]C[C@@H](C)C1 49663049 572793075 /nfs/dbraw/zinc/79/30/75/572793075.db2.gz PHOORGFFEKEKOB-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@H+](C(C)(C)C)C1 49662963 572793145 /nfs/dbraw/zinc/79/31/45/572793145.db2.gz HXNVQSZYHFHMBD-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[NH2+][C@H](CC)CC1 49661365 572793627 /nfs/dbraw/zinc/79/36/27/572793627.db2.gz NRYITMZMGGGUGQ-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+](CC2CC2)C1 49662936 572794252 /nfs/dbraw/zinc/79/42/52/572794252.db2.gz CYLDQPFAJGZCAE-PHIMTYICSA-N 2 1 196.338 1.574 10 0 ADAEMP CCC[N@H+]1CC[NH2+][C@H](CC)CC1 49661552 572794325 /nfs/dbraw/zinc/79/43/25/572794325.db2.gz OIIWSPMYCMCNIL-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[N@H+]1CC[NH2+][C@@H](C)CC1 49661557 572794426 /nfs/dbraw/zinc/79/44/26/572794426.db2.gz RBRMLRRJXGEYPG-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 49663048 572794538 /nfs/dbraw/zinc/79/45/38/572794538.db2.gz CWUPOZZRUCIXNE-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)C[C@H](C)C[NH2+]1 49663009 572794558 /nfs/dbraw/zinc/79/45/58/572794558.db2.gz NHBDWXMCXNLWOX-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC2CC2)CCC[NH2+]1 49662912 572795053 /nfs/dbraw/zinc/79/50/53/572795053.db2.gz CRBYASQLPMABIB-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@H+]1CC[NH2+][C@H](C)CC1 49661559 572795193 /nfs/dbraw/zinc/79/51/93/572795193.db2.gz RBRMLRRJXGEYPG-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)[N@H+]1CC[NH2+][C@H](C)CC1 49660810 572795464 /nfs/dbraw/zinc/79/54/64/572795464.db2.gz MUPXRVOFBIRNGQ-SECBINFHSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@H+](C(C)(C)C)C1 49662966 572795552 /nfs/dbraw/zinc/79/55/52/572795552.db2.gz BAFINPRJNFAVDM-PHIMTYICSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[NH2+]C[C@@H](C)C1 49662768 572795591 /nfs/dbraw/zinc/79/55/91/572795591.db2.gz LGZGKWJJOAWIFL-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CC[N@H+](C(C)(C)C)CCC[NH2+]1 49662945 572795635 /nfs/dbraw/zinc/79/56/35/572795635.db2.gz UXZVZGOLQSHNDA-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CC[N@H+](C(C)C)CC[NH2+]1 49660803 572795916 /nfs/dbraw/zinc/79/59/16/572795916.db2.gz WHTAZGDEZZADOQ-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)CC[C@H](C)[NH2+]1 49663005 572795884 /nfs/dbraw/zinc/79/58/84/572795884.db2.gz OZLRYLUVIFHZSH-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 49663046 572796160 /nfs/dbraw/zinc/79/61/60/572796160.db2.gz CWUPOZZRUCIXNE-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC2CC2)C1 49662933 572796210 /nfs/dbraw/zinc/79/62/10/572796210.db2.gz MNYOKMOGYFNJAO-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC)CC[NH2+]1 49661498 572796236 /nfs/dbraw/zinc/79/62/36/572796236.db2.gz OJZZFYBPDMMRAL-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 49662769 572796414 /nfs/dbraw/zinc/79/64/14/572796414.db2.gz LGZGKWJJOAWIFL-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]C[C@H](C)C1 49663051 572796547 /nfs/dbraw/zinc/79/65/47/572796547.db2.gz PHOORGFFEKEKOB-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+][C@H](C)CC1 49663031 572796789 /nfs/dbraw/zinc/79/67/89/572796789.db2.gz SEIYPWVTKPRFLI-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](CC2CC2)C1 49662930 572796824 /nfs/dbraw/zinc/79/68/24/572796824.db2.gz IGTVDPIWKPWZFD-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C1=[NH+]CCC[C@@H]1[C@H]1CCCC[NH2+]1 141677278 572796852 /nfs/dbraw/zinc/79/68/52/572796852.db2.gz NPBVVFSCSMZKTB-VHSXEESVSA-N 2 1 166.268 1.609 10 0 ADAEMP C[C@H]1CC[N@H+]1C(C)(C)CCC[NH3+] 307937328 572796860 /nfs/dbraw/zinc/79/68/60/572796860.db2.gz REJDVAKBHNWDIL-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CCC(C)C 307937073 572796885 /nfs/dbraw/zinc/79/68/85/572796885.db2.gz ABHKLTIVEKXYIW-JTQLQIEISA-N 2 1 172.316 1.750 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+](C(C)(C)C)C1 49662965 572797107 /nfs/dbraw/zinc/79/71/07/572797107.db2.gz HXNVQSZYHFHMBD-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]CC1([NH2+]CCCC2CC2)CC1 236228408 572797199 /nfs/dbraw/zinc/79/71/99/572797199.db2.gz PFGSDMRTOPLLCP-UHFFFAOYSA-N 2 1 168.284 1.258 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC2CC2)CCC[NH2+]1 49662914 572797229 /nfs/dbraw/zinc/79/72/29/572797229.db2.gz CRBYASQLPMABIB-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC2CC2)C1 49662934 572797251 /nfs/dbraw/zinc/79/72/51/572797251.db2.gz MNYOKMOGYFNJAO-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP CC(C)[N@H+]1CC[NH2+][C@@H](C)CC1 49660812 572797315 /nfs/dbraw/zinc/79/73/15/572797315.db2.gz MUPXRVOFBIRNGQ-VIFPVBQESA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H]1CC[N@H+](C(C)C)CCC[NH2+]1 49663030 572797346 /nfs/dbraw/zinc/79/73/46/572797346.db2.gz LHZCKVMCZFNXJD-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]1CC[N@H+](C(C)C)CC[NH2+]1 49660805 572797384 /nfs/dbraw/zinc/79/73/84/572797384.db2.gz WHTAZGDEZZADOQ-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+](C)CC[C@@H](C)[NH2+]1 49663012 572797581 /nfs/dbraw/zinc/79/75/81/572797581.db2.gz ZNDJEUBBXJSENU-DTORHVGOSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+]C1(C[NH2+]C2(C)CCC2)CCC1 308132185 572798003 /nfs/dbraw/zinc/79/80/03/572798003.db2.gz KGWQVXKHACEUMJ-UHFFFAOYSA-N 2 1 182.311 1.661 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)CCC[NH2+]1 49663001 572797721 /nfs/dbraw/zinc/79/77/21/572797721.db2.gz NHMCPYYSUMOREQ-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CC2)CCC[NH2+]1 49662917 572797734 /nfs/dbraw/zinc/79/77/34/572797734.db2.gz RRHCYTPYOUDIFD-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+]C[C@@H](C)C1 49664863 572798644 /nfs/dbraw/zinc/79/86/44/572798644.db2.gz MSPRBFZNFRIDGX-LLVKDONJSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](C2CC2)C1 49664834 572798247 /nfs/dbraw/zinc/79/82/47/572798247.db2.gz HGVUNRKFPPEZPZ-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC2)C[C@H](C)C[NH2+]1 49664827 572798495 /nfs/dbraw/zinc/79/84/95/572798495.db2.gz XQDBAXIHDDFULA-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C(C)(C)C 49694131 572798552 /nfs/dbraw/zinc/79/85/52/572798552.db2.gz UQRODBFASABLBJ-DTWKUNHWSA-N 2 1 170.300 1.597 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@@H]2CCCC[C@H]2C1 250416632 572798653 /nfs/dbraw/zinc/79/86/53/572798653.db2.gz YCLARTYBIVFRBI-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49694194 572798707 /nfs/dbraw/zinc/79/87/07/572798707.db2.gz ADQWDHVYHBWYEQ-DTWKUNHWSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+]C[C@H](C)C1 49664865 572798733 /nfs/dbraw/zinc/79/87/33/572798733.db2.gz MSPRBFZNFRIDGX-NSHDSACASA-N 2 1 184.327 1.574 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)[C@H](C)C1 49708528 572798768 /nfs/dbraw/zinc/79/87/68/572798768.db2.gz OMQUEIYVGGIWGW-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)CCC[NH2+]1 49664817 572798789 /nfs/dbraw/zinc/79/87/89/572798789.db2.gz JZDKRLHMLSFZIH-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49708086 572798827 /nfs/dbraw/zinc/79/88/27/572798827.db2.gz SMXNAMYYQTXJDA-VWYCJHECSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)C[C@@H]1C 49708542 572798923 /nfs/dbraw/zinc/79/89/23/572798923.db2.gz YBESTTGSXUUQMK-DCAQKATOSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@H]2CCCC[C@H]2C1 250416630 572798927 /nfs/dbraw/zinc/79/89/27/572798927.db2.gz YCLARTYBIVFRBI-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CCC[NH2+]C[C@@H](C)C1 49664968 572798966 /nfs/dbraw/zinc/79/89/66/572798966.db2.gz SUEGZZUWMCHDFD-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CCCC[N@H+]1CCC[NH2+][C@@H](C)CC1 49663224 572799019 /nfs/dbraw/zinc/79/90/19/572799019.db2.gz XXXXGEURSNKPTD-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@H]1C[N@H+](C(C)(C)C)CC[C@@H]1[NH3+] 49694120 572799117 /nfs/dbraw/zinc/79/91/17/572799117.db2.gz IMKOHHJXKFYSBR-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[NH2+][C@H](C)CC1 49664359 572799203 /nfs/dbraw/zinc/79/92/03/572799203.db2.gz AZSCMHNRMMYEIE-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+][C@H](C)CC1 49664846 572799223 /nfs/dbraw/zinc/79/92/23/572799223.db2.gz IEEBIFYBJAWNHX-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC(C)(C)C)C1 49667091 572799331 /nfs/dbraw/zinc/79/93/31/572799331.db2.gz NVKSWFQGCLTZEJ-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC)C[C@H](C)C[NH2+]1 49664799 572799418 /nfs/dbraw/zinc/79/94/18/572799418.db2.gz DBLOOTDCWCQFED-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccco1 49708507 572801169 /nfs/dbraw/zinc/80/11/69/572801169.db2.gz RKDNXVUUKUXMTR-ZJUUUORDSA-N 2 1 194.278 1.591 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49694193 572799536 /nfs/dbraw/zinc/79/95/36/572799536.db2.gz ADQWDHVYHBWYEQ-RKDXNWHRSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)C[N@H+]1CCC[NH2+][C@@H](C)CC1 49664847 572799561 /nfs/dbraw/zinc/79/95/61/572799561.db2.gz IEEBIFYBJAWNHX-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 49664379 572799768 /nfs/dbraw/zinc/79/97/68/572799768.db2.gz VXAGDKXSIARYSP-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC)CCC[NH2+]1 49664790 572799636 /nfs/dbraw/zinc/79/96/36/572799636.db2.gz SHIDYJVRKHPMHT-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC[NH2+][C@H](C)C1([NH+](C)C)CCCC1 85752105 572799753 /nfs/dbraw/zinc/79/97/53/572799753.db2.gz XTXQKUUJJFVTFK-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49663243 572799734 /nfs/dbraw/zinc/79/97/34/572799734.db2.gz KOVFMMQGAPLXLF-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49708098 572799930 /nfs/dbraw/zinc/79/99/30/572799930.db2.gz WREQHRONXPLSGV-DCAQKATOSA-N 2 1 184.327 1.987 10 0 ADAEMP c1coc(C[NH+]2CCC[NH2+]CCC2)c1 49664352 572799991 /nfs/dbraw/zinc/79/99/91/572799991.db2.gz HNCLYIPHMLPXSR-UHFFFAOYSA-N 2 1 194.278 1.465 10 0 ADAEMP CCC[N@H+]1CCC[NH2+][C@H](C)CC1 49664948 572799996 /nfs/dbraw/zinc/79/99/96/572799996.db2.gz DVCIBXOAEPUHDU-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC)CC[C@H](C)[NH2+]1 49664795 572800040 /nfs/dbraw/zinc/80/00/40/572800040.db2.gz RJNOJMHTBDQAAV-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccco1 49708507 572801171 /nfs/dbraw/zinc/80/11/71/572801171.db2.gz RKDNXVUUKUXMTR-ZJUUUORDSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C(C)(C)C 49694132 572800088 /nfs/dbraw/zinc/80/00/88/572800088.db2.gz UQRODBFASABLBJ-BDAKNGLRSA-N 2 1 170.300 1.597 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 49664964 572800129 /nfs/dbraw/zinc/80/01/29/572800129.db2.gz BSMDHDBHJYCCFS-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)CCC[NH2+]1 49664822 572800231 /nfs/dbraw/zinc/80/02/31/572800231.db2.gz SOHLASVGUKCMMW-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@H+](C2CC2)C1 49664840 572800338 /nfs/dbraw/zinc/80/03/38/572800338.db2.gz WYCNFCIMBBZYSC-AOOOYVTPSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[N@H+](C(C)(C)C)CC[C@@H]1[NH3+] 49694119 572800353 /nfs/dbraw/zinc/80/03/53/572800353.db2.gz IMKOHHJXKFYSBR-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC)C[C@H](C)C[NH2+]1 49664798 572800437 /nfs/dbraw/zinc/80/04/37/572800437.db2.gz DBLOOTDCWCQFED-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC2CCC2)C1 49665870 572800755 /nfs/dbraw/zinc/80/07/55/572800755.db2.gz BGBBOVYQJYZWBU-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC2)CCC[NH2+]1 49664820 572800841 /nfs/dbraw/zinc/80/08/41/572800841.db2.gz SOHLASVGUKCMMW-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49694195 572800852 /nfs/dbraw/zinc/80/08/52/572800852.db2.gz ADQWDHVYHBWYEQ-BDAKNGLRSA-N 2 1 156.273 1.206 10 0 ADAEMP CCC[N@H+]1CC[C@H](C)[NH2+][C@H](C)CC1 49664959 572800894 /nfs/dbraw/zinc/80/08/94/572800894.db2.gz DIHALCXIIIZYNQ-PHIMTYICSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 49664380 572800904 /nfs/dbraw/zinc/80/09/04/572800904.db2.gz VXAGDKXSIARYSP-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCC[N@H+]1CCC[NH2+][C@H](C)CC1 49663223 572800932 /nfs/dbraw/zinc/80/09/32/572800932.db2.gz XXXXGEURSNKPTD-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccco1 49708503 572800974 /nfs/dbraw/zinc/80/09/74/572800974.db2.gz RKDNXVUUKUXMTR-NXEZZACHSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccco1 49708503 572800976 /nfs/dbraw/zinc/80/09/76/572800976.db2.gz RKDNXVUUKUXMTR-NXEZZACHSA-N 2 1 194.278 1.591 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[NH2+][C@H](C)CC1 49664357 572800994 /nfs/dbraw/zinc/80/09/94/572800994.db2.gz AZSCMHNRMMYEIE-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 49664862 572801014 /nfs/dbraw/zinc/80/10/14/572801014.db2.gz MQUZTCMIVZUWBY-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+](C2CCCC2)C1 49664904 572802611 /nfs/dbraw/zinc/80/26/11/572802611.db2.gz OSBUOWYKCUYDAF-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[N@H+](C(C)(C)C2CC2)CCN1 235352436 572803005 /nfs/dbraw/zinc/80/30/05/572803005.db2.gz DMTRSMMAXQEYCP-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CCC[NH2+][C@@H](CC)CC1 49664947 572802704 /nfs/dbraw/zinc/80/27/04/572802704.db2.gz JLNRZBDVCQAVHF-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664867 572801249 /nfs/dbraw/zinc/80/12/49/572801249.db2.gz KWIJRLJMOZPIOP-TXEJJXNPSA-N 2 1 198.354 1.820 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCF 308132440 572801270 /nfs/dbraw/zinc/80/12/70/572801270.db2.gz FVCVFZSYOWXBTH-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCF 308132445 572801290 /nfs/dbraw/zinc/80/12/90/572801290.db2.gz FVCVFZSYOWXBTH-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)C[C@H](C)C[NH2+]1 49664825 572801306 /nfs/dbraw/zinc/80/13/06/572801306.db2.gz XQDBAXIHDDFULA-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@H+](C2CC2)C1 49664837 572801364 /nfs/dbraw/zinc/80/13/64/572801364.db2.gz VXQXOWAPQLEAAT-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccco1 49708505 572801397 /nfs/dbraw/zinc/80/13/97/572801397.db2.gz RKDNXVUUKUXMTR-VHSXEESVSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccco1 49708505 572801401 /nfs/dbraw/zinc/80/14/01/572801401.db2.gz RKDNXVUUKUXMTR-VHSXEESVSA-N 2 1 194.278 1.591 10 0 ADAEMP CCC[N@H+]1CCC[NH2+][C@H](CC)CC1 49664945 572801511 /nfs/dbraw/zinc/80/15/11/572801511.db2.gz JLNRZBDVCQAVHF-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C(C)(C)C 49694130 572801523 /nfs/dbraw/zinc/80/15/23/572801523.db2.gz UQRODBFASABLBJ-RKDXNWHRSA-N 2 1 170.300 1.597 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+](C2CC2)C1 49664838 572801544 /nfs/dbraw/zinc/80/15/44/572801544.db2.gz VXQXOWAPQLEAAT-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP [NH3+]CC1([NH2+]CCC2CCC2)CC1 236228009 572801601 /nfs/dbraw/zinc/80/16/01/572801601.db2.gz YCGHXYJZMALAPM-UHFFFAOYSA-N 2 1 168.284 1.258 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC(C)(C)C)C1 49667092 572801688 /nfs/dbraw/zinc/80/16/88/572801688.db2.gz NVKSWFQGCLTZEJ-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664382 572801726 /nfs/dbraw/zinc/80/17/26/572801726.db2.gz NVCDLNOXJNXHED-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+](CCCCF)C1 238553382 572801783 /nfs/dbraw/zinc/80/17/83/572801783.db2.gz RWRWSZJAMVTLAU-SNVBAGLBSA-N 2 1 188.290 1.407 10 0 ADAEMP CCC[N@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664969 572801808 /nfs/dbraw/zinc/80/18/08/572801808.db2.gz OMIUHGPYCCRTMC-PHIMTYICSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)CC[N@H+]1CCC[NH2+]C[C@H](C)C1 49663271 572801875 /nfs/dbraw/zinc/80/18/75/572801875.db2.gz WKCZYBRWWMDFIM-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[N@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 49664963 572801894 /nfs/dbraw/zinc/80/18/94/572801894.db2.gz BSMDHDBHJYCCFS-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)CC[C@@H](C)[NH2+]1 49664830 572801903 /nfs/dbraw/zinc/80/19/03/572801903.db2.gz SCAYYRVUVSQKPM-AOOOYVTPSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)C[C@H](C)C[NH2+]1 49664835 572801926 /nfs/dbraw/zinc/80/19/26/572801926.db2.gz HGVUNRKFPPEZPZ-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)CC[N@H+]1CCC[NH2+]C[C@@H](C)C1 49663270 572801976 /nfs/dbraw/zinc/80/19/76/572801976.db2.gz WKCZYBRWWMDFIM-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C(C)(C)C 49694133 572801993 /nfs/dbraw/zinc/80/19/93/572801993.db2.gz UQRODBFASABLBJ-IUCAKERBSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC2)CCC[NH2+]1 49664818 572802009 /nfs/dbraw/zinc/80/20/09/572802009.db2.gz JZDKRLHMLSFZIH-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@H+](C2CCCC2)C1 49664903 572802028 /nfs/dbraw/zinc/80/20/28/572802028.db2.gz OSBUOWYKCUYDAF-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 49664860 572802131 /nfs/dbraw/zinc/80/21/31/572802131.db2.gz MQUZTCMIVZUWBY-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49694196 572802147 /nfs/dbraw/zinc/80/21/47/572802147.db2.gz ADQWDHVYHBWYEQ-IUCAKERBSA-N 2 1 156.273 1.206 10 0 ADAEMP CCCC[N@H+]1CCC[NH2+]C[C@@H](C)C1 49663242 572802800 /nfs/dbraw/zinc/80/28/00/572802800.db2.gz XPPDHCPRUFYGHC-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCCC[N@H+]1CCC[NH2+]C[C@H](C)C1 49663240 572802334 /nfs/dbraw/zinc/80/23/34/572802334.db2.gz XPPDHCPRUFYGHC-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP C[C@H]1C[N@H+](Cc2ccco2)CC[C@@H]1[NH3+] 49708489 572802425 /nfs/dbraw/zinc/80/24/25/572802425.db2.gz LKVLXRLMLNLYPO-ONGXEEELSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1C[N@@H+](Cc2ccco2)CC[C@@H]1[NH3+] 49708489 572802428 /nfs/dbraw/zinc/80/24/28/572802428.db2.gz LKVLXRLMLNLYPO-ONGXEEELSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@@H](C)C2CC2)CCC[NH2+]1 49666154 572802440 /nfs/dbraw/zinc/80/24/40/572802440.db2.gz ZFNDOWYWIFKARX-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCF 308132447 572802446 /nfs/dbraw/zinc/80/24/46/572802446.db2.gz FVCVFZSYOWXBTH-ZJUUUORDSA-N 2 1 188.290 1.548 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C)C[NH2+]C[C@@H](C)C1 49664384 572802467 /nfs/dbraw/zinc/80/24/67/572802467.db2.gz NVCDLNOXJNXHED-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H]([NH2+]C)C1([NH+](C)C)CCCC1 85751959 572802551 /nfs/dbraw/zinc/80/25/51/572802551.db2.gz JIMMMNAOGGOYPA-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC)CCC[NH2+]1 49664789 572802682 /nfs/dbraw/zinc/80/26/82/572802682.db2.gz SHIDYJVRKHPMHT-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@@H](C)C2CC2)C1 49666171 572802739 /nfs/dbraw/zinc/80/27/39/572802739.db2.gz ZUAWXJSJEXMIKR-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC)CC[C@H](C)[NH2+]1 49664796 572802919 /nfs/dbraw/zinc/80/29/19/572802919.db2.gz RJNOJMHTBDQAAV-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CCC[NH2+]C[C@H](C)C1 49664966 572802940 /nfs/dbraw/zinc/80/29/40/572802940.db2.gz SUEGZZUWMCHDFD-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP CCC[N@H+]1CCC[NH2+][C@@H](C)CC1 49664950 572803075 /nfs/dbraw/zinc/80/30/75/572803075.db2.gz DVCIBXOAEPUHDU-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@@H]1C[N@H+](Cc2ccco2)CC[C@@H]1[NH3+] 49708488 572803142 /nfs/dbraw/zinc/80/31/42/572803142.db2.gz LKVLXRLMLNLYPO-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]1C[N@@H+](Cc2ccco2)CC[C@@H]1[NH3+] 49708488 572803146 /nfs/dbraw/zinc/80/31/46/572803146.db2.gz LKVLXRLMLNLYPO-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@H]([NH2+]C)C1([NH+](C)C)CCCC1 85751958 572803169 /nfs/dbraw/zinc/80/31/69/572803169.db2.gz JIMMMNAOGGOYPA-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC2CCC2)C1 49665869 572803332 /nfs/dbraw/zinc/80/33/32/572803332.db2.gz BGBBOVYQJYZWBU-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@H]1CC[C@@H]([NH3+])C1 223118166 572803337 /nfs/dbraw/zinc/80/33/37/572803337.db2.gz PVDUBCHJSDZVHP-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])[C@H]1CCCSC1 307941941 572805783 /nfs/dbraw/zinc/80/57/83/572805783.db2.gz CRDRHTFJOWYISB-IUCAKERBSA-N 2 1 188.340 1.066 10 0 ADAEMP CC[NH2+][C@@H](C)C1([NH+](C)C)CCCC1 85752103 572803348 /nfs/dbraw/zinc/80/33/48/572803348.db2.gz XTXQKUUJJFVTFK-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49708539 572803481 /nfs/dbraw/zinc/80/34/81/572803481.db2.gz WMKBLWWHJHZQBU-GUBZILKMSA-N 2 1 170.300 1.597 10 0 ADAEMP C[C@@H]1CN(CC2(C)CCC2)CCC[NH2+]1 235352348 572803592 /nfs/dbraw/zinc/80/35/92/572803592.db2.gz XOSYZMQBQIRFKO-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49710319 572803880 /nfs/dbraw/zinc/80/38/80/572803880.db2.gz BZAZVUFGSOFGTF-DCAQKATOSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@H]1C[N@@H+](CC(C)(C)C)CC[C@@H]1[NH3+] 49713166 572804078 /nfs/dbraw/zinc/80/40/78/572804078.db2.gz VOFNCSCKQYGLDX-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCCC2)CC[C@@H]1[NH3+] 49709166 572804434 /nfs/dbraw/zinc/80/44/34/572804434.db2.gz WJVLROWHAJQXFL-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)C(C)(C)C 49804680 572804467 /nfs/dbraw/zinc/80/44/67/572804467.db2.gz AEJQIDPVQVAPFG-MRVPVSSYSA-N 2 1 158.289 1.454 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCCC1 49709060 572804642 /nfs/dbraw/zinc/80/46/42/572804642.db2.gz JDBCWZIEKGTJKE-UWVGGRQHSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C1CCCC1 49709055 572804897 /nfs/dbraw/zinc/80/48/97/572804897.db2.gz JDBCWZIEKGTJKE-NXEZZACHSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(C)(C)C 49713178 572805079 /nfs/dbraw/zinc/80/50/79/572805079.db2.gz WKTWGVBXJOICCF-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(C)(C)C 49713176 572805103 /nfs/dbraw/zinc/80/51/03/572805103.db2.gz WKTWGVBXJOICCF-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223118862 572805120 /nfs/dbraw/zinc/80/51/20/572805120.db2.gz LFTLSAAHJFPQBI-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(C)(C)C 49713177 572805129 /nfs/dbraw/zinc/80/51/29/572805129.db2.gz WKTWGVBXJOICCF-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709137 572805153 /nfs/dbraw/zinc/80/51/53/572805153.db2.gz XJWVCTBPKQYKTK-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCC2)CC[C@@H]1[NH3+] 49709039 572805187 /nfs/dbraw/zinc/80/51/87/572805187.db2.gz ZFQWODGNHWQPMN-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])CC[C@@H]1C 308132878 572805238 /nfs/dbraw/zinc/80/52/38/572805238.db2.gz GDYDKFZRZXLMJB-WZQADMAKSA-N 2 1 182.311 1.670 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 308132905 572805312 /nfs/dbraw/zinc/80/53/12/572805312.db2.gz GFVNSGISXHJQJQ-LWTINBJPSA-N 2 1 182.311 1.622 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 307941604 572805320 /nfs/dbraw/zinc/80/53/20/572805320.db2.gz ACULBPCYJXDLLY-UTLUCORTSA-N 2 1 168.284 1.113 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49709138 572805440 /nfs/dbraw/zinc/80/54/40/572805440.db2.gz XJWVCTBPKQYKTK-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP [NH3+]C[C@@H]([NH3+])CCCc1ccc(O)cc1 116595386 572805510 /nfs/dbraw/zinc/80/55/10/572805510.db2.gz RJRCJMSPORQMGQ-JTQLQIEISA-N 2 1 194.278 1.001 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49710311 572805585 /nfs/dbraw/zinc/80/55/85/572805585.db2.gz BZAZVUFGSOFGTF-OUAUKWLOSA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)(C[NH2+]C1CC1)C[NH+]1CCC1 308132887 572805621 /nfs/dbraw/zinc/80/56/21/572805621.db2.gz GELJOAIPOVSIKQ-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCC2)CC[C@@H]1[NH3+] 49709038 572805663 /nfs/dbraw/zinc/80/56/63/572805663.db2.gz ZFQWODGNHWQPMN-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C/C=C/CC[NH2+][C@]1(C[NH3+])CC[C@H]1C 308132879 572805764 /nfs/dbraw/zinc/80/57/64/572805764.db2.gz GDYDKFZRZXLMJB-YHROSDCASA-N 2 1 182.311 1.670 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49711031 572805869 /nfs/dbraw/zinc/80/58/69/572805869.db2.gz IDPHWFFDOPQXAX-WCABBAIRSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49710313 572805884 /nfs/dbraw/zinc/80/58/84/572805884.db2.gz BZAZVUFGSOFGTF-GARJFASQSA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)C1CC([N@@H+](C)C[C@@H](C)[NH3+])C1 308132888 572805936 /nfs/dbraw/zinc/80/59/36/572805936.db2.gz GEQHXEYZVFFETJ-KPPDAEKUSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)C1CC([N@H+](C)C[C@@H](C)[NH3+])C1 308132888 572805939 /nfs/dbraw/zinc/80/59/39/572805939.db2.gz GEQHXEYZVFFETJ-KPPDAEKUSA-N 2 1 184.327 1.700 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@H]1CCCSC1 307941940 572806021 /nfs/dbraw/zinc/80/60/21/572806021.db2.gz CRDRHTFJOWYISB-DTWKUNHWSA-N 2 1 188.340 1.066 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CC[C@H]2C[C@H]21 307941594 572806164 /nfs/dbraw/zinc/80/61/64/572806164.db2.gz ACULBPCYJXDLLY-AEJSXWLSSA-N 2 1 168.284 1.113 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(C)(C)C)CC[C@@H]1[NH3+] 49713165 572806201 /nfs/dbraw/zinc/80/62/01/572806201.db2.gz VOFNCSCKQYGLDX-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1CC([N@@H+](C)C[C@H](C)[NH3+])C1 308132889 572806262 /nfs/dbraw/zinc/80/62/62/572806262.db2.gz GEQHXEYZVFFETJ-WHXUTIOJSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)C1CC([N@H+](C)C[C@H](C)[NH3+])C1 308132889 572806266 /nfs/dbraw/zinc/80/62/66/572806266.db2.gz GEQHXEYZVFFETJ-WHXUTIOJSA-N 2 1 184.327 1.700 10 0 ADAEMP C/C=C/CC[NH2+][C@]1(C[NH3+])CC[C@@H]1C 308132877 572806604 /nfs/dbraw/zinc/80/66/04/572806604.db2.gz GDYDKFZRZXLMJB-SEUFLZDSSA-N 2 1 182.311 1.670 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 308132906 572806727 /nfs/dbraw/zinc/80/67/27/572806727.db2.gz GFVNSGISXHJQJQ-UMCURTJPSA-N 2 1 182.311 1.622 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49709151 572806766 /nfs/dbraw/zinc/80/67/66/572806766.db2.gz JZWFBGIVMKMLJO-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49711008 572806955 /nfs/dbraw/zinc/80/69/55/572806955.db2.gz VHZNXOBGOXDWJA-YWVKMMECSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])[C@@H]1CCCSC1 307941939 572807059 /nfs/dbraw/zinc/80/70/59/572807059.db2.gz CRDRHTFJOWYISB-BDAKNGLRSA-N 2 1 188.340 1.066 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1CCCC1 49709057 572807123 /nfs/dbraw/zinc/80/71/23/572807123.db2.gz JDBCWZIEKGTJKE-VHSXEESVSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49711036 572807160 /nfs/dbraw/zinc/80/71/60/572807160.db2.gz IDPHWFFDOPQXAX-YWVKMMECSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49710316 572807249 /nfs/dbraw/zinc/80/72/49/572807249.db2.gz BZAZVUFGSOFGTF-VWYCJHECSA-N 2 1 184.327 1.843 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@@H]1CCCSC1 307941942 572807330 /nfs/dbraw/zinc/80/73/30/572807330.db2.gz CRDRHTFJOWYISB-RKDXNWHRSA-N 2 1 188.340 1.066 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711043 572807332 /nfs/dbraw/zinc/80/73/32/572807332.db2.gz KINLQKGXGZFMSL-JBLDHEPKSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)C(C)(C)C 49804678 572807484 /nfs/dbraw/zinc/80/74/84/572807484.db2.gz BCAHJFNFULTSBX-MRVPVSSYSA-N 2 1 158.289 1.312 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CC2)[C@H](C)C1 49711040 572807505 /nfs/dbraw/zinc/80/75/05/572807505.db2.gz KINLQKGXGZFMSL-JFGNBEQYSA-N 2 1 196.338 1.857 10 0 ADAEMP CCC(CC)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49709078 572807541 /nfs/dbraw/zinc/80/75/41/572807541.db2.gz KNJZUOBAIQETLJ-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709153 572807629 /nfs/dbraw/zinc/80/76/29/572807629.db2.gz JZWFBGIVMKMLJO-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP [NH3+]C[C@H]([NH3+])CCCc1ccc(O)cc1 116595388 572807766 /nfs/dbraw/zinc/80/77/66/572807766.db2.gz RJRCJMSPORQMGQ-SNVBAGLBSA-N 2 1 194.278 1.001 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+]1CCCCF 308137972 572807813 /nfs/dbraw/zinc/80/78/13/572807813.db2.gz JMWLIOQRMYEVLL-SNVBAGLBSA-N 2 1 188.290 1.549 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCCC1 49709058 572807823 /nfs/dbraw/zinc/80/78/23/572807823.db2.gz JDBCWZIEKGTJKE-ZJUUUORDSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCCC2)CC[C@@H]1[NH3+] 49709164 572807933 /nfs/dbraw/zinc/80/79/33/572807933.db2.gz WJVLROWHAJQXFL-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]1C[C@H]1[NH2+]CC1([NH2+]C)CCC1 308138127 572807970 /nfs/dbraw/zinc/80/79/70/572807970.db2.gz QCUMQBYMYXKNRR-VHSXEESVSA-N 2 1 182.311 1.517 10 0 ADAEMP CCC(CC)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709076 572808004 /nfs/dbraw/zinc/80/80/04/572808004.db2.gz KNJZUOBAIQETLJ-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(C)(C)C 49713175 572808027 /nfs/dbraw/zinc/80/80/27/572808027.db2.gz WKTWGVBXJOICCF-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC(CC)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709094 572808042 /nfs/dbraw/zinc/80/80/42/572808042.db2.gz KWVGWCNKKDPRMW-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@H]1C[C@@H]1[NH2+]CC1([NH2+]C)CCC1 308138126 572809133 /nfs/dbraw/zinc/80/91/33/572809133.db2.gz QCUMQBYMYXKNRR-UWVGGRQHSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 49805795 572809198 /nfs/dbraw/zinc/80/91/98/572809198.db2.gz OHEYVAAGXQUVOY-SNVBAGLBSA-N 2 1 182.311 1.457 10 0 ADAEMP CC(C)C[NH2+]C[C@H]([NH3+])CC(F)(F)F 308137275 572809510 /nfs/dbraw/zinc/80/95/10/572809510.db2.gz IZNOQKGIQDYXNU-SSDOTTSWSA-N 2 1 198.232 1.512 10 0 ADAEMP [NH3+][C@H](C[NH2+]CCCCF)CC(F)F 308138170 572809577 /nfs/dbraw/zinc/80/95/77/572809577.db2.gz QHPLXOQPRMBMMX-ZETCQYMHSA-N 2 1 198.232 1.308 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CC1(C[NH3+])CC1 49805794 572809769 /nfs/dbraw/zinc/80/97/69/572809769.db2.gz FEZUIYUTEUUQNW-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]CC1([NH2+]C)CCC1 308138128 572810092 /nfs/dbraw/zinc/81/00/92/572810092.db2.gz QCUMQBYMYXKNRR-ZJUUUORDSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC(C)(C)C[NH3+])C1 49805943 572810263 /nfs/dbraw/zinc/81/02/63/572810263.db2.gz CHLROSFWRICUHT-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H]1C[C@H]1[NH2+]CC1([NH2+]C)CCC1 308138125 572810309 /nfs/dbraw/zinc/81/03/09/572810309.db2.gz QCUMQBYMYXKNRR-NXEZZACHSA-N 2 1 182.311 1.517 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+]1CCCCF 308137971 572810480 /nfs/dbraw/zinc/81/04/80/572810480.db2.gz JMWLIOQRMYEVLL-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP [NH3+][C@@H](C[NH2+]CCCCF)CC(F)F 308138169 572810570 /nfs/dbraw/zinc/81/05/70/572810570.db2.gz QHPLXOQPRMBMMX-SSDOTTSWSA-N 2 1 198.232 1.308 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC1(C[NH3+])CC1 49805793 572810634 /nfs/dbraw/zinc/81/06/34/572810634.db2.gz FEZUIYUTEUUQNW-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC(C)(C)C[NH3+])C1 49805944 572810835 /nfs/dbraw/zinc/81/08/35/572810835.db2.gz CHLROSFWRICUHT-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)C1 49805796 572810972 /nfs/dbraw/zinc/81/09/72/572810972.db2.gz OHEYVAAGXQUVOY-JTQLQIEISA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC(C)(C)C[NH3+] 49805941 572811086 /nfs/dbraw/zinc/81/10/86/572811086.db2.gz FLPOSRGZCWJDPH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)[NH2+][C@]1(C[NH3+])CCC1(C)C 308139309 572811431 /nfs/dbraw/zinc/81/14/31/572811431.db2.gz KBXDWODVCIQWIS-KOLCDFICSA-N 2 1 184.327 1.892 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@]1(C[NH3+])CCC1(C)C 308139310 572811509 /nfs/dbraw/zinc/81/15/09/572811509.db2.gz KBXDWODVCIQWIS-MWLCHTKSSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CC(C)(C)C[NH3+] 49805942 572811587 /nfs/dbraw/zinc/81/15/87/572811587.db2.gz FLPOSRGZCWJDPH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCC1(C)C 308139311 572811617 /nfs/dbraw/zinc/81/16/17/572811617.db2.gz KBXDWODVCIQWIS-ONGXEEELSA-N 2 1 184.327 1.892 10 0 ADAEMP CCCCC[C@](C)(C[NH3+])[NH+]1CCC1 308138850 572811993 /nfs/dbraw/zinc/81/19/93/572811993.db2.gz JVCVGYWVUXBSNX-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP C[NH2+][C@@H](C)/C(C)=C/c1c[nH+]c(C)n1C 689710081 572812154 /nfs/dbraw/zinc/81/21/54/572812154.db2.gz RTAIXZLKTOWTPW-ORZBULNSSA-N 2 1 193.294 1.740 10 0 ADAEMP C[NH2+][C@@H](C)/C(C)=C\c1c[nH+]c(C)n1C 689710084 572813022 /nfs/dbraw/zinc/81/30/22/572813022.db2.gz RTAIXZLKTOWTPW-XZLDQRQTSA-N 2 1 193.294 1.740 10 0 ADAEMP FCCCC[NH2+]C[C@@H]1CCCC[NH2+]1 308139292 572813375 /nfs/dbraw/zinc/81/33/75/572813375.db2.gz RGWYEXHTXGGWLJ-JTQLQIEISA-N 2 1 188.290 1.468 10 0 ADAEMP C[NH2+][C@H](C)/C(C)=C/c1c[nH+]c(C)n1C 689710078 572813600 /nfs/dbraw/zinc/81/36/00/572813600.db2.gz RTAIXZLKTOWTPW-BNICOGTQSA-N 2 1 193.294 1.740 10 0 ADAEMP CC(C)[NH2+]CC[NH2+][C@H]1CCC1(C)C 308134898 572816358 /nfs/dbraw/zinc/81/63/58/572816358.db2.gz HNAGJOJPRXZAIS-JTQLQIEISA-N 2 1 184.327 1.763 10 0 ADAEMP C[N@@H+](CCCCF)C1CC[NH2+]CC1 308139312 572813501 /nfs/dbraw/zinc/81/35/01/572813501.db2.gz KCDLMLZLYTVOQA-UHFFFAOYSA-N 2 1 188.290 1.420 10 0 ADAEMP CC[C@H](C)[NH2+][C@@]1(C[NH3+])CCC1(C)C 308139308 572813521 /nfs/dbraw/zinc/81/35/21/572813521.db2.gz KBXDWODVCIQWIS-GXSJLCMTSA-N 2 1 184.327 1.892 10 0 ADAEMP CCCCC[C@@](C)(C[NH3+])[NH+]1CCC1 308138851 572813638 /nfs/dbraw/zinc/81/36/38/572813638.db2.gz JVCVGYWVUXBSNX-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@@H]1CC(C)(C)C[C@@]1(C[NH3+])[NH2+]C1CC1 235261749 572813756 /nfs/dbraw/zinc/81/37/56/572813756.db2.gz ZSXJRRAAGRYLJG-SKDRFNHKSA-N 2 1 196.338 1.892 10 0 ADAEMP FCCCC[NH2+]C[C@H]1CCCC[NH2+]1 308139293 572813808 /nfs/dbraw/zinc/81/38/08/572813808.db2.gz RGWYEXHTXGGWLJ-SNVBAGLBSA-N 2 1 188.290 1.468 10 0 ADAEMP CC(C)[NH2+]CC[NH2+]C1(C2CC2)CC1 308133490 572813822 /nfs/dbraw/zinc/81/38/22/572813822.db2.gz CNCQOMSHPXFRBH-UHFFFAOYSA-N 2 1 182.311 1.517 10 0 ADAEMP C[NH2+][C@H](C)/C(C)=C\c1c[nH+]c(C)n1C 689710080 572814117 /nfs/dbraw/zinc/81/41/17/572814117.db2.gz RTAIXZLKTOWTPW-JGAIRUGNSA-N 2 1 193.294 1.740 10 0 ADAEMP C[C@H]1[C@H]2CC(C)(C)[NH2+][C@H]2C[C@@H](C)[N@@H+]1C 75123406 572814378 /nfs/dbraw/zinc/81/43/78/572814378.db2.gz AMBPVNFHIWYARM-YTWAJWBKSA-N 2 1 196.338 1.856 10 0 ADAEMP CCC[NH2+]C[C@H]([NH3+])CC(F)(F)F 308134034 572814495 /nfs/dbraw/zinc/81/44/95/572814495.db2.gz ZBQDNGZIUGSXBX-ZCFIWIBFSA-N 2 1 184.205 1.266 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@H]2[NH2+]C(C)(C)C[C@@H]21 75123374 572814589 /nfs/dbraw/zinc/81/45/89/572814589.db2.gz JVEZLNALYUFPQO-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@H]2[NH2+]C(C)(C)C[C@@H]21 75123374 572814596 /nfs/dbraw/zinc/81/45/96/572814596.db2.gz JVEZLNALYUFPQO-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1[C@@H]2[C@@H](CC[N@H+]1C)[NH2+]CCC2(C)C 75123471 572814763 /nfs/dbraw/zinc/81/47/63/572814763.db2.gz PZHVDHBZTIEFJA-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]1[C@H]2CC(C)(C)[NH2+][C@@H]2C[C@@H](C)[N@@H+]1C 75123390 572814870 /nfs/dbraw/zinc/81/48/70/572814870.db2.gz AMBPVNFHIWYARM-LMLFDSFASA-N 2 1 196.338 1.856 10 0 ADAEMP [NH3+][C@H](C[NH2+]C1CCC1)CC(F)(F)F 308134904 572814886 /nfs/dbraw/zinc/81/48/86/572814886.db2.gz HNFQDCXYWWWKHC-LURJTMIESA-N 2 1 196.216 1.408 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]2C1 75123462 572814784 /nfs/dbraw/zinc/81/47/84/572814784.db2.gz ZCVBDKGPOXFKNW-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCCC[C@H]2[NH2+]CCC(C)(C)[C@H]21 75123442 572815154 /nfs/dbraw/zinc/81/51/54/572815154.db2.gz IDDDNHQQPAZODA-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1[C@H]2CC[C@@H]([NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 75123357 572817094 /nfs/dbraw/zinc/81/70/94/572817094.db2.gz UQTALALSFVHPCJ-IYKVGLELSA-N 2 1 196.338 1.843 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](CC(C)(C)CC[N@@H+]2C)[NH2+]1 75123407 572815243 /nfs/dbraw/zinc/81/52/43/572815243.db2.gz LRLKWKZGMIAKHH-OUAUKWLOSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](CC(C)(C)CC[N@H+]2C)[NH2+]1 75123407 572815244 /nfs/dbraw/zinc/81/52/44/572815244.db2.gz LRLKWKZGMIAKHH-OUAUKWLOSA-N 2 1 196.338 1.857 10 0 ADAEMP C[N@H+]1CCCC[C@H]2[NH2+]CCC(C)(C)[C@@H]21 75123450 572815275 /nfs/dbraw/zinc/81/52/75/572815275.db2.gz IDDDNHQQPAZODA-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1[C@@H]2CC(C)(C)[NH2+][C@H]2C[C@@H](C)[N@@H+]1C 75123387 572815327 /nfs/dbraw/zinc/81/53/27/572815327.db2.gz AMBPVNFHIWYARM-RCWTZXSCSA-N 2 1 196.338 1.856 10 0 ADAEMP C[N@@H+]1CCC[C@H](C2CCCC2)[C@H]([NH3+])C1 75123338 572815404 /nfs/dbraw/zinc/81/54/04/572815404.db2.gz QAHWZEJWAMOZDY-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H](C2CCCC2)[C@H]([NH3+])C1 75123338 572815407 /nfs/dbraw/zinc/81/54/07/572815407.db2.gz QAHWZEJWAMOZDY-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[NH2+]CCC(C)(C)[C@H]2C1 75123455 572815659 /nfs/dbraw/zinc/81/56/59/572815659.db2.gz ZCVBDKGPOXFKNW-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@H](C[NH3+])C[C@@H]2C1 75123495 572815693 /nfs/dbraw/zinc/81/56/93/572815693.db2.gz BOQRQONZSVHSHG-WISYIIOYSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC[C@@H](C)C[C@@H]([NH3+])C[NH+](C)C 85798083 572815713 /nfs/dbraw/zinc/81/57/13/572815713.db2.gz HZCWNWONKKPHOU-NXEZZACHSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 75123351 572817170 /nfs/dbraw/zinc/81/71/70/572817170.db2.gz VDCOSMGCNMMWPN-NOOOWODRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCc1cccs1 85798136 572815902 /nfs/dbraw/zinc/81/59/02/572815902.db2.gz PJQDKMROKBOCFJ-VIFPVBQESA-N 2 1 198.335 1.570 10 0 ADAEMP C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CCC1 308134098 572815924 /nfs/dbraw/zinc/81/59/24/572815924.db2.gz HAHWREWMBPLPMH-SSDOTTSWSA-N 2 1 192.253 1.453 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCC1CC1 85798284 572815946 /nfs/dbraw/zinc/81/59/46/572815946.db2.gz PNFUMICULBTXJT-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2[NH2+]CCC(C)(C)[C@H]21 75123438 572816001 /nfs/dbraw/zinc/81/60/01/572816001.db2.gz IDDDNHQQPAZODA-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+]1CCC[C@@H](C2CCCC2)[C@H]([NH3+])C1 75123341 572816086 /nfs/dbraw/zinc/81/60/86/572816086.db2.gz QAHWZEJWAMOZDY-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H](C2CCCC2)[C@H]([NH3+])C1 75123341 572816089 /nfs/dbraw/zinc/81/60/89/572816089.db2.gz QAHWZEJWAMOZDY-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[C@H](C)C[C@@H]([NH3+])C[NH+](C)C 85798086 572817681 /nfs/dbraw/zinc/81/76/81/572817681.db2.gz HZCWNWONKKPHOU-VHSXEESVSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@H](C)C[C@@H]([NH3+])C[NH+](C)C 85797874 572816185 /nfs/dbraw/zinc/81/61/85/572816185.db2.gz HRMSDCHVLXALGL-RKDXNWHRSA-N 2 1 158.289 1.312 10 0 ADAEMP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CCC1 308134099 572816221 /nfs/dbraw/zinc/81/62/21/572816221.db2.gz HAHWREWMBPLPMH-ZETCQYMHSA-N 2 1 192.253 1.453 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@@H](C)C(N)=[NH2+] 49832568 572816350 /nfs/dbraw/zinc/81/63/50/572816350.db2.gz DFUBDPBAHICOSP-ZETCQYMHSA-N 2 1 180.255 1.503 10 0 ADAEMP C[C@H]1[C@@H]2CC(C)(C)[NH2+][C@@H]2C[C@@H](C)[N@@H+]1C 75123383 572816553 /nfs/dbraw/zinc/81/65/53/572816553.db2.gz AMBPVNFHIWYARM-VPOLOUISSA-N 2 1 196.338 1.856 10 0 ADAEMP C[N@H+]1CCC[C@H]2[NH2+]CCC(C)(C)[C@@H]2C1 75123466 572816581 /nfs/dbraw/zinc/81/65/81/572816581.db2.gz ZCVBDKGPOXFKNW-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H]2[NH2+]CCC(C)(C)[C@H]2C1 75123459 572816677 /nfs/dbraw/zinc/81/66/77/572816677.db2.gz ZCVBDKGPOXFKNW-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@H]2[C@H](C[N@H+](C)CCC2(C)C)[NH2+]1 75123429 572816713 /nfs/dbraw/zinc/81/67/13/572816713.db2.gz JVQSCQNGBUQHMF-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[C@H]2[C@H](C[N@@H+](C)CCC2(C)C)[NH2+]1 75123429 572816717 /nfs/dbraw/zinc/81/67/17/572816717.db2.gz JVQSCQNGBUQHMF-VWYCJHECSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2[NH2+]CCC(C)(C)[C@@H]21 75123446 572816836 /nfs/dbraw/zinc/81/68/36/572816836.db2.gz IDDDNHQQPAZODA-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[NH2+][C@@H]1CCC1(C)C 308134899 572816943 /nfs/dbraw/zinc/81/69/43/572816943.db2.gz HNAGJOJPRXZAIS-SNVBAGLBSA-N 2 1 184.327 1.763 10 0 ADAEMP [NH3+][C@@H](C[NH2+]C1CCC1)CC(F)(F)F 308134905 572817145 /nfs/dbraw/zinc/81/71/45/572817145.db2.gz HNFQDCXYWWWKHC-ZCFIWIBFSA-N 2 1 196.216 1.408 10 0 ADAEMP C[C@H]1[C@H]2C[C@@H](C[NH3+])C[C@H]2C[C@@H](C)[N@@H+]1C 75123503 572817224 /nfs/dbraw/zinc/81/72/24/572817224.db2.gz ZPGIPGHPKNBHNJ-YBXAARCKSA-N 2 1 196.338 1.700 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])n1cc[nH+]c1C 49833998 572817265 /nfs/dbraw/zinc/81/72/65/572817265.db2.gz VVSOGUZGSISNDQ-ZETCQYMHSA-N 2 1 166.228 1.079 10 0 ADAEMP CCC[C@@H](C)C[C@H]([NH3+])C[NH+](C)C 85798079 572817439 /nfs/dbraw/zinc/81/74/39/572817439.db2.gz HZCWNWONKKPHOU-ZJUUUORDSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCc1ccsc1 85798282 572817688 /nfs/dbraw/zinc/81/76/88/572817688.db2.gz CKOLRQUHVPZVHY-JTQLQIEISA-N 2 1 198.335 1.570 10 0 ADAEMP CC[C@H](C)C[C@H]([NH3+])C[NH+](C)C 85797871 572817491 /nfs/dbraw/zinc/81/74/91/572817491.db2.gz HRMSDCHVLXALGL-IUCAKERBSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@H](C(N)=[NH2+])n1cc[nH+]c1C 49834001 572817532 /nfs/dbraw/zinc/81/75/32/572817532.db2.gz VVSOGUZGSISNDQ-SSDOTTSWSA-N 2 1 166.228 1.079 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCC(F)(F)F 85798562 572817545 /nfs/dbraw/zinc/81/75/45/572817545.db2.gz GWHOAFGSCCVKFU-ZCFIWIBFSA-N 2 1 184.205 1.218 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCC(F)(F)F 85798566 572817600 /nfs/dbraw/zinc/81/76/00/572817600.db2.gz GWHOAFGSCCVKFU-LURJTMIESA-N 2 1 184.205 1.218 10 0 ADAEMP CCCCC[C@@H]([NH3+])C[NH+](C)C 85798193 572817616 /nfs/dbraw/zinc/81/76/16/572817616.db2.gz CFZYTQMQWCPZJU-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+](CCCCF)C1 238558644 572817808 /nfs/dbraw/zinc/81/78/08/572817808.db2.gz RWRWSZJAMVTLAU-JTQLQIEISA-N 2 1 188.290 1.407 10 0 ADAEMP C[NH2+]CCCc1c[nH+]ccc1OC 308135314 572817940 /nfs/dbraw/zinc/81/79/40/572817940.db2.gz HVZMEFYRIYJTSN-UHFFFAOYSA-N 2 1 180.251 1.242 10 0 ADAEMP CC1CC([NH2+]C[C@H]([NH3+])CC(F)F)C1 308134943 572818194 /nfs/dbraw/zinc/81/81/94/572818194.db2.gz HOWWOYYPYCSUQQ-ZUEIMRROSA-N 2 1 192.253 1.357 10 0 ADAEMP Cc1cscc1C[NH2+][C@H](C)[C@H](C)[NH3+] 308135178 572818232 /nfs/dbraw/zinc/81/82/32/572818232.db2.gz NOHXXJKRMSLOBQ-DTWKUNHWSA-N 2 1 198.335 1.882 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](CCCCF)C1 238561716 572818405 /nfs/dbraw/zinc/81/84/05/572818405.db2.gz KXEUSHLNSDHBTR-VIFPVBQESA-N 2 1 174.263 1.017 10 0 ADAEMP CC[C@@H](C)C[C@H]([NH3+])C[NH+](C)C 85797868 572818439 /nfs/dbraw/zinc/81/84/39/572818439.db2.gz HRMSDCHVLXALGL-BDAKNGLRSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[C@@](C)([C@@H](C)[NH2+]C)[N@H+](C)C1CC1 308135294 572818444 /nfs/dbraw/zinc/81/84/44/572818444.db2.gz HUTQVIUCIOGEAG-KOLCDFICSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@](C)([C@@H](C)[NH2+]C)[N@@H+](C)C1CC1 308135294 572818447 /nfs/dbraw/zinc/81/84/47/572818447.db2.gz HUTQVIUCIOGEAG-KOLCDFICSA-N 2 1 184.327 1.857 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@@H]1C=CCC1 238559276 572818470 /nfs/dbraw/zinc/81/84/70/572818470.db2.gz NWVKNBCVQWGLRR-NEPJUHHUSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@@H]1C=CCC1 238559276 572818472 /nfs/dbraw/zinc/81/84/72/572818472.db2.gz NWVKNBCVQWGLRR-NEPJUHHUSA-N 2 1 194.322 1.766 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCc1ccsc1 85798279 572818556 /nfs/dbraw/zinc/81/85/56/572818556.db2.gz CKOLRQUHVPZVHY-SNVBAGLBSA-N 2 1 198.335 1.570 10 0 ADAEMP CCC[C@H](C)C[C@H]([NH3+])C[NH+](C)C 85798081 572818573 /nfs/dbraw/zinc/81/85/73/572818573.db2.gz HZCWNWONKKPHOU-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP Cc1cscc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 308135180 572818776 /nfs/dbraw/zinc/81/87/76/572818776.db2.gz NOHXXJKRMSLOBQ-RKDXNWHRSA-N 2 1 198.335 1.882 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])CCC1CC1 85798286 572818777 /nfs/dbraw/zinc/81/87/77/572818777.db2.gz PNFUMICULBTXJT-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@](C)([C@@H](C)[NH2+]C)[N@H+](C)C1CC1 308135296 572818824 /nfs/dbraw/zinc/81/88/24/572818824.db2.gz HUTQVIUCIOGEAG-MWLCHTKSSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@](C)([C@@H](C)[NH2+]C)[N@@H+](C)C1CC1 308135296 572818828 /nfs/dbraw/zinc/81/88/28/572818828.db2.gz HUTQVIUCIOGEAG-MWLCHTKSSA-N 2 1 184.327 1.857 10 0 ADAEMP [NH3+][C@H]1CCC[N@H+](CCCCF)C1 238561578 572818899 /nfs/dbraw/zinc/81/88/99/572818899.db2.gz OYZMIGKNWJRCTB-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](CCCCF)C1 238561578 572818903 /nfs/dbraw/zinc/81/89/03/572818903.db2.gz OYZMIGKNWJRCTB-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CCc1cccs1 85798133 572818949 /nfs/dbraw/zinc/81/89/49/572818949.db2.gz PJQDKMROKBOCFJ-SECBINFHSA-N 2 1 198.335 1.570 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223123101 572819177 /nfs/dbraw/zinc/81/91/77/572819177.db2.gz ZKABVLJFVYYSDB-MWLCHTKSSA-N 2 1 184.327 1.987 10 0 ADAEMP CCCCCC[C@H]([NH3+])C[NH+](C)C 85797862 572819240 /nfs/dbraw/zinc/81/92/40/572819240.db2.gz SCLNYDMAZRBLMG-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCF 238559213 572819252 /nfs/dbraw/zinc/81/92/52/572819252.db2.gz NVWFSNPGPCUSED-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCF 238559213 572819257 /nfs/dbraw/zinc/81/92/57/572819257.db2.gz NVWFSNPGPCUSED-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP CC[C@@](C)([C@H](C)[NH2+]C)[N@H+](C)C1CC1 308135297 572819397 /nfs/dbraw/zinc/81/93/97/572819397.db2.gz HUTQVIUCIOGEAG-ONGXEEELSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@](C)([C@H](C)[NH2+]C)[N@@H+](C)C1CC1 308135297 572819401 /nfs/dbraw/zinc/81/94/01/572819401.db2.gz HUTQVIUCIOGEAG-ONGXEEELSA-N 2 1 184.327 1.857 10 0 ADAEMP Cc1cscc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 308135177 572819428 /nfs/dbraw/zinc/81/94/28/572819428.db2.gz NOHXXJKRMSLOBQ-BDAKNGLRSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1cscc1C[NH2+][C@@H](C)[C@H](C)[NH3+] 308135179 572819637 /nfs/dbraw/zinc/81/96/37/572819637.db2.gz NOHXXJKRMSLOBQ-IUCAKERBSA-N 2 1 198.335 1.882 10 0 ADAEMP CC[C@](C)([C@H](C)[NH2+]C)[N@H+](C)C1CC1 308135293 572819783 /nfs/dbraw/zinc/81/97/83/572819783.db2.gz HUTQVIUCIOGEAG-GXSJLCMTSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@](C)([C@H](C)[NH2+]C)[N@@H+](C)C1CC1 308135293 572819787 /nfs/dbraw/zinc/81/97/87/572819787.db2.gz HUTQVIUCIOGEAG-GXSJLCMTSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[NH2+]CC[C@H](C)[NH+]1CCC1 308135160 572819795 /nfs/dbraw/zinc/81/97/95/572819795.db2.gz ZLNCJJQPGAIJHE-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP CC1CC([NH2+]C[C@@H]([NH3+])CC(F)F)C1 308134942 572820141 /nfs/dbraw/zinc/82/01/41/572820141.db2.gz HOWWOYYPYCSUQQ-WTIBDHCWSA-N 2 1 192.253 1.357 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCCF 308144366 572821129 /nfs/dbraw/zinc/82/11/29/572821129.db2.gz NBAGJANWTZTQNP-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP [NH3+][C@H]1CC[NH2+][C@@H](c2cccc(O)c2)C1 107136004 572821735 /nfs/dbraw/zinc/82/17/35/572821735.db2.gz LXEPYBHJUZSBAS-GXSJLCMTSA-N 2 1 192.262 1.144 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCCF 308144366 572821134 /nfs/dbraw/zinc/82/11/34/572821134.db2.gz NBAGJANWTZTQNP-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP CCCC[N@H+]1CCC[C@](C)(C[NH3+])C1 688703088 572821470 /nfs/dbraw/zinc/82/14/70/572821470.db2.gz IQSQQPKQAKFTKL-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]CC)C1 222494735 572821608 /nfs/dbraw/zinc/82/16/08/572821608.db2.gz OXPLSQWIGQXPNH-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@@H]([NH2+]CC)C1 222494735 572821612 /nfs/dbraw/zinc/82/16/12/572821612.db2.gz OXPLSQWIGQXPNH-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCCF 308144367 572821643 /nfs/dbraw/zinc/82/16/43/572821643.db2.gz NBAGJANWTZTQNP-SNVBAGLBSA-N 2 1 188.290 1.549 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@H+]1CCCCF 308144367 572821647 /nfs/dbraw/zinc/82/16/47/572821647.db2.gz NBAGJANWTZTQNP-SNVBAGLBSA-N 2 1 188.290 1.549 10 0 ADAEMP CC[C@H](C)[N@H+](CC[NH3+])C[C@H](C)OC 308139706 572821662 /nfs/dbraw/zinc/82/16/62/572821662.db2.gz KLKTZYJPXIKCHG-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C)[N@@H+](CC[NH3+])C[C@H](C)OC 308139706 572821663 /nfs/dbraw/zinc/82/16/63/572821663.db2.gz KLKTZYJPXIKCHG-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1C 235263433 572822042 /nfs/dbraw/zinc/82/20/42/572822042.db2.gz XHNNQGOANZOZPJ-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[N@H+]1CCC[C@@](C)(C[NH3+])C1 688703093 572822661 /nfs/dbraw/zinc/82/26/61/572822661.db2.gz IQSQQPKQAKFTKL-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CC[C@@H](C)[N@H+](CC[NH3+])C[C@H](C)OC 308139710 572823460 /nfs/dbraw/zinc/82/34/60/572823460.db2.gz KLKTZYJPXIKCHG-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC[NH3+])C[C@H](C)OC 308139710 572823462 /nfs/dbraw/zinc/82/34/62/572823462.db2.gz KLKTZYJPXIKCHG-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC1([NH2+]C[C@@H]([NH3+])CC(F)(F)F)CC1 308140113 572823611 /nfs/dbraw/zinc/82/36/11/572823611.db2.gz KMYZSKRISYOQEM-LURJTMIESA-N 2 1 196.216 1.408 10 0 ADAEMP CC[C@@H](C)[N@H+](CC[NH3+])C[C@@H](C)OC 308139704 572824151 /nfs/dbraw/zinc/82/41/51/572824151.db2.gz KLKTZYJPXIKCHG-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC[NH3+])C[C@@H](C)OC 308139704 572824154 /nfs/dbraw/zinc/82/41/54/572824154.db2.gz KLKTZYJPXIKCHG-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299892870 572826427 /nfs/dbraw/zinc/82/64/27/572826427.db2.gz FDTDMJYHIBLFMK-USWWRNFRSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCF)C1 308141226 572826018 /nfs/dbraw/zinc/82/60/18/572826018.db2.gz LIAWRSDWAKQWOP-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP CC(C)CC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299892734 572826835 /nfs/dbraw/zinc/82/68/35/572826835.db2.gz CRMNRHPVQUYXQZ-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299892734 572826839 /nfs/dbraw/zinc/82/68/39/572826839.db2.gz CRMNRHPVQUYXQZ-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299892869 572826890 /nfs/dbraw/zinc/82/68/90/572826890.db2.gz FDTDMJYHIBLFMK-ADEWGFFLSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299892871 572827146 /nfs/dbraw/zinc/82/71/46/572827146.db2.gz FDTDMJYHIBLFMK-YUSALJHKSA-N 2 1 194.322 1.469 10 0 ADAEMP CC(C)(C)C[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893653 572827484 /nfs/dbraw/zinc/82/74/84/572827484.db2.gz NLEZIINOQJIQDH-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)C[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893653 572827488 /nfs/dbraw/zinc/82/74/88/572827488.db2.gz NLEZIINOQJIQDH-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](CC[C@@H]2C=CCC2)C1 238569504 572829424 /nfs/dbraw/zinc/82/94/24/572829424.db2.gz WYOBPEZIGWAORS-VXGBXAGGSA-N 2 1 194.322 1.623 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893077 572829652 /nfs/dbraw/zinc/82/96/52/572829652.db2.gz HNRUVQVWZZXKLM-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2C1 299893077 572829655 /nfs/dbraw/zinc/82/96/55/572829655.db2.gz HNRUVQVWZZXKLM-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@@H]2C=CCC2)C1 238569922 572830024 /nfs/dbraw/zinc/83/00/24/572830024.db2.gz WYOBPEZIGWAORS-NEPJUHHUSA-N 2 1 194.322 1.623 10 0 ADAEMP C1CC[C@H](C[NH+]2CC3CC(C3)C2)[NH2+]C1 214779558 572830082 /nfs/dbraw/zinc/83/00/82/572830082.db2.gz PMOZAXAUWQOXCW-HTAVTVPLSA-N 2 1 194.322 1.470 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1CCCCF 308141538 572830351 /nfs/dbraw/zinc/83/03/51/572830351.db2.gz UEZLHFAFSSPFMT-UHFFFAOYSA-N 2 1 185.246 1.134 10 0 ADAEMP CCC[N@@H+](C)C1CCC([NH2+]C)CC1 85872847 572831534 /nfs/dbraw/zinc/83/15/34/572831534.db2.gz PKGBSEKXIRNDPF-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CCc1c[nH+]cn1CCC1(C[NH3+])CC1 404520717 572831774 /nfs/dbraw/zinc/83/17/74/572831774.db2.gz MWLSDSHIMKMFDQ-UHFFFAOYSA-N 2 1 193.294 1.575 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893076 572832004 /nfs/dbraw/zinc/83/20/04/572832004.db2.gz HNRUVQVWZZXKLM-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 299893076 572832008 /nfs/dbraw/zinc/83/20/08/572832008.db2.gz HNRUVQVWZZXKLM-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C1CCC([N@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 299892988 572832059 /nfs/dbraw/zinc/83/20/59/572832059.db2.gz GISBHZUSKJNUHQ-ZYHUDNBSSA-N 2 1 194.322 1.613 10 0 ADAEMP C[N@@H+](CCC1CC1)C1CCC([NH3+])CC1 85870132 572832090 /nfs/dbraw/zinc/83/20/90/572832090.db2.gz IYNHNJVBDIGHBD-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C)CC[C@@H](C)[C@@H]1CCC[NH2+]C1 87973621 572832190 /nfs/dbraw/zinc/83/21/90/572832190.db2.gz GWBXJHXIZKUBSD-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CCc1[nH+]cc(CC[NH3+])n1CC(C)C 107139002 572832408 /nfs/dbraw/zinc/83/24/08/572832408.db2.gz HTZMKBHPHZKQCY-UHFFFAOYSA-N 2 1 195.310 1.603 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299893078 572832572 /nfs/dbraw/zinc/83/25/72/572832572.db2.gz HNRUVQVWZZXKLM-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]2[NH2+]CCC[C@@H]2C1 299893078 572832579 /nfs/dbraw/zinc/83/25/79/572832579.db2.gz HNRUVQVWZZXKLM-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]C1CCC([N@@H+](C)CC2CC2)CC1 85872760 572832602 /nfs/dbraw/zinc/83/26/02/572832602.db2.gz BBURMGNECCNEGE-UHFFFAOYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@H]([NH3+])CC(F)F 308142817 572834947 /nfs/dbraw/zinc/83/49/47/572834947.db2.gz MIHFRRAXHNLQAR-JGVFFNPUSA-N 2 1 194.269 1.605 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893622 572833513 /nfs/dbraw/zinc/83/35/13/572833513.db2.gz NAQPOKPAZIYYEI-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893622 572833516 /nfs/dbraw/zinc/83/35/16/572833516.db2.gz NAQPOKPAZIYYEI-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[NH2+]C[C@@H]([NH3+])CC(F)(F)F 308142887 572834234 /nfs/dbraw/zinc/83/42/34/572834234.db2.gz MKRSQBVHICIYFI-ZETCQYMHSA-N 2 1 198.232 1.656 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@@H]([NH3+])CC(F)F 308142819 572834540 /nfs/dbraw/zinc/83/45/40/572834540.db2.gz MIHFRRAXHNLQAR-YUMQZZPRSA-N 2 1 194.269 1.605 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299893624 572834587 /nfs/dbraw/zinc/83/45/87/572834587.db2.gz NAQPOKPAZIYYEI-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@@H]([NH3+])CC(F)F 308142818 572834577 /nfs/dbraw/zinc/83/45/77/572834577.db2.gz MIHFRRAXHNLQAR-SFYZADRCSA-N 2 1 194.269 1.605 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299893624 572834580 /nfs/dbraw/zinc/83/45/80/572834580.db2.gz NAQPOKPAZIYYEI-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C/C=C\C[N@H+](CC[NH3+])CC(C)C 307954185 572835091 /nfs/dbraw/zinc/83/50/91/572835091.db2.gz YZRDKKMMUJPJHJ-PLNGDYQASA-N 2 1 170.300 1.479 10 0 ADAEMP 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/nfs/dbraw/zinc/83/82/21/572838221.db2.gz AYLVVNGHWUXQFL-ZETCQYMHSA-N 2 1 179.267 1.370 10 0 ADAEMP CC(C)[N@H+]1Cc2c[nH]c([C@H](C)[NH3+])c2C1 75396764 572837798 /nfs/dbraw/zinc/83/77/98/572837798.db2.gz OPVIXMDURFTJQK-QMMMGPOBSA-N 2 1 193.294 1.758 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21 299895488 572838096 /nfs/dbraw/zinc/83/80/96/572838096.db2.gz HVZKWEDKUMDYCP-DGORSVRFSA-N 2 1 194.322 1.373 10 0 ADAEMP CC[C@H](C)[N@H+]1Cc2c[nH]c(C[NH3+])c2C1 75396700 572838145 /nfs/dbraw/zinc/83/81/45/572838145.db2.gz BNKPTLBPPMONQF-QMMMGPOBSA-N 2 1 193.294 1.588 10 0 ADAEMP C1CC([N@H+]2C[C@@H]3CCC[NH2+][C@H]3C2)C1 299894001 572838342 /nfs/dbraw/zinc/83/83/42/572838342.db2.gz RHIODUCQPLULFW-ONGXEEELSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299895489 572838568 /nfs/dbraw/zinc/83/85/68/572838568.db2.gz HVZKWEDKUMDYCP-GCHJQGSQSA-N 2 1 194.322 1.373 10 0 ADAEMP CC(C)[N@H+]1Cc2c[nH]c(C[NH3+])c2C1 75396684 572838645 /nfs/dbraw/zinc/83/86/45/572838645.db2.gz JNGHVASPVGSJMY-UHFFFAOYSA-N 2 1 179.267 1.197 10 0 ADAEMP CCC[N@H+]1Cc2c[nH]c([C@@H](C)[NH3+])c2C1 75396767 572838976 /nfs/dbraw/zinc/83/89/76/572838976.db2.gz VPCNGABTUJUZGI-MRVPVSSYSA-N 2 1 193.294 1.760 10 0 ADAEMP CC[N@@H+]1Cc2cn(C)c([C@H](C)[NH3+])c2C1 75396736 572839015 /nfs/dbraw/zinc/83/90/15/572839015.db2.gz CHYQSYJIJBEENM-QMMMGPOBSA-N 2 1 193.294 1.380 10 0 ADAEMP CC[N@H+]1Cc2cn(C)c([C@H](C)[NH3+])c2C1 75396736 572839017 /nfs/dbraw/zinc/83/90/17/572839017.db2.gz CHYQSYJIJBEENM-QMMMGPOBSA-N 2 1 193.294 1.380 10 0 ADAEMP CC(C)C[N@H+]1Cc2c[nH]c(C[NH3+])c2C1 75396685 572839273 /nfs/dbraw/zinc/83/92/73/572839273.db2.gz GCFLQIODISTBOA-UHFFFAOYSA-N 2 1 193.294 1.445 10 0 ADAEMP CCC[N@H+]1Cc2c[nH]c(C[NH3+])c2C1 75396687 572839414 /nfs/dbraw/zinc/83/94/14/572839414.db2.gz NUBZUQKGDURXJQ-UHFFFAOYSA-N 2 1 179.267 1.199 10 0 ADAEMP C[C@@H](c1cc[nH]c1)[N@@H+]1CCC[NH2+]CC1 71506638 572839415 /nfs/dbraw/zinc/83/94/15/572839415.db2.gz CHOCWVDVRFZQLY-JTQLQIEISA-N 2 1 193.294 1.371 10 0 ADAEMP C[C@@H](c1cc[nH]c1)[N@H+]1CCC[NH2+]CC1 71506638 572839418 /nfs/dbraw/zinc/83/94/18/572839418.db2.gz CHOCWVDVRFZQLY-JTQLQIEISA-N 2 1 193.294 1.371 10 0 ADAEMP CC[C@@H](C)[N@H+]1Cc2c[nH]c(C[NH3+])c2C1 75396699 572839476 /nfs/dbraw/zinc/83/94/76/572839476.db2.gz BNKPTLBPPMONQF-MRVPVSSYSA-N 2 1 193.294 1.588 10 0 ADAEMP CC1([NH2+]C[C@@H]2[NH2+]C[C@H]3CCC[C@@H]32)CC1 299896221 572839502 /nfs/dbraw/zinc/83/95/02/572839502.db2.gz MQEZGEYBPCLUQT-VWYCJHECSA-N 2 1 194.322 1.517 10 0 ADAEMP CC(C)[N@H+]1Cc2cn(C)c(C[NH3+])c2C1 75396720 572839531 /nfs/dbraw/zinc/83/95/31/572839531.db2.gz XOHKTTDWFIQUNP-UHFFFAOYSA-N 2 1 193.294 1.208 10 0 ADAEMP CC[N@@H+]1Cc2c[nH]c([C@@H](C)[NH3+])c2C1 75396761 572839580 /nfs/dbraw/zinc/83/95/80/572839580.db2.gz AYLVVNGHWUXQFL-SSDOTTSWSA-N 2 1 179.267 1.370 10 0 ADAEMP CC[N@H+]1Cc2c[nH]c([C@@H](C)[NH3+])c2C1 75396761 572839584 /nfs/dbraw/zinc/83/95/84/572839584.db2.gz AYLVVNGHWUXQFL-SSDOTTSWSA-N 2 1 179.267 1.370 10 0 ADAEMP CC[NH2+]CC[NH+]1C[C@H](C)[C@@H](C)C1 86009368 572839911 /nfs/dbraw/zinc/83/99/11/572839911.db2.gz CEPNNRXKAGUUEX-UWVGGRQHSA-N 2 1 170.300 1.184 10 0 ADAEMP CCCCC[N@H+]1CCC=C[C@@H]1C[NH3+] 75414280 572841160 /nfs/dbraw/zinc/84/11/60/572841160.db2.gz BMOMJGBJDQQYSI-LLVKDONJSA-N 2 1 182.311 1.766 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009443 572840011 /nfs/dbraw/zinc/84/00/11/572840011.db2.gz YCEXAEHJYQEYPE-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009427 572840049 /nfs/dbraw/zinc/84/00/49/572840049.db2.gz DFPQESGLAZBVFZ-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+]CCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009376 572840081 /nfs/dbraw/zinc/84/00/81/572840081.db2.gz ROWPIFJJTAWPCT-PHIMTYICSA-N 2 1 184.327 1.574 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299894146 572841454 /nfs/dbraw/zinc/84/14/54/572841454.db2.gz SXMUTKNRJVYZRF-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008606 572840222 /nfs/dbraw/zinc/84/02/22/572840222.db2.gz ZVQAXTDAFKEFIC-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)[NH2+]C 86009205 572840259 /nfs/dbraw/zinc/84/02/59/572840259.db2.gz CEZGZONEIIBDMU-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009260 572841623 /nfs/dbraw/zinc/84/16/23/572841623.db2.gz AOUPMKHWMHZDRV-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H](c1cc[nH]c1)[N@@H+]1CCC[NH2+]CC1 71506639 572840393 /nfs/dbraw/zinc/84/03/93/572840393.db2.gz CHOCWVDVRFZQLY-SNVBAGLBSA-N 2 1 193.294 1.371 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008604 572840396 /nfs/dbraw/zinc/84/03/96/572840396.db2.gz ZVQAXTDAFKEFIC-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H](c1cc[nH]c1)[N@H+]1CCC[NH2+]CC1 71506639 572840397 /nfs/dbraw/zinc/84/03/97/572840397.db2.gz CHOCWVDVRFZQLY-SNVBAGLBSA-N 2 1 193.294 1.371 10 0 ADAEMP CCC[NH2+]CCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009726 572840609 /nfs/dbraw/zinc/84/06/09/572840609.db2.gz WVFXGEYYGXGFHC-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[NH2+]C2CC2)C[C@@H]1C 86009294 572840636 /nfs/dbraw/zinc/84/06/36/572840636.db2.gz YZJILVLZINOITN-AOOOYVTPSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[N@H+](CC[NH2+]C2CC2)C[C@@H]1C 86009294 572840641 /nfs/dbraw/zinc/84/06/41/572840641.db2.gz YZJILVLZINOITN-AOOOYVTPSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009365 572840683 /nfs/dbraw/zinc/84/06/83/572840683.db2.gz CEPNNRXKAGUUEX-AOOOYVTPSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009365 572840688 /nfs/dbraw/zinc/84/06/88/572840688.db2.gz CEPNNRXKAGUUEX-AOOOYVTPSA-N 2 1 170.300 1.184 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009270 572840699 /nfs/dbraw/zinc/84/06/99/572840699.db2.gz QGZGSAVTTSGNTO-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009270 572840702 /nfs/dbraw/zinc/84/07/02/572840702.db2.gz QGZGSAVTTSGNTO-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009442 572840884 /nfs/dbraw/zinc/84/08/84/572840884.db2.gz YCEXAEHJYQEYPE-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C1CC(C[N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 299894725 572841002 /nfs/dbraw/zinc/84/10/02/572841002.db2.gz ZPBWLNLKEBERIG-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP CCCCC[N@@H+]1CCC=C[C@H]1C[NH3+] 75414282 572840951 /nfs/dbraw/zinc/84/09/51/572840951.db2.gz BMOMJGBJDQQYSI-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP CCCCC[N@H+]1CCC=C[C@H]1C[NH3+] 75414282 572840954 /nfs/dbraw/zinc/84/09/54/572840954.db2.gz BMOMJGBJDQQYSI-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 299894725 572841005 /nfs/dbraw/zinc/84/10/05/572841005.db2.gz ZPBWLNLKEBERIG-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)[NH2+]CC[NH+]1C[C@H](C)[C@@H](C)C1 86009278 572841031 /nfs/dbraw/zinc/84/10/31/572841031.db2.gz HXNAMIPAKYKAQC-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)C1CC1 86009392 572841154 /nfs/dbraw/zinc/84/11/54/572841154.db2.gz OLCLITKOUOCFNI-UMNHJUIQSA-N 2 1 196.338 1.572 10 0 ADAEMP CCCCC[N@@H+]1CCC=C[C@@H]1C[NH3+] 75414280 572841156 /nfs/dbraw/zinc/84/11/56/572841156.db2.gz BMOMJGBJDQQYSI-LLVKDONJSA-N 2 1 182.311 1.766 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC[C@@H](C)[NH3+])C[C@@H]1C 86009531 572841272 /nfs/dbraw/zinc/84/12/72/572841272.db2.gz GYLBCZYYFWLKRF-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009757 572841317 /nfs/dbraw/zinc/84/13/17/572841317.db2.gz GBSRERNATREYPY-OUAUKWLOSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010223 572841439 /nfs/dbraw/zinc/84/14/39/572841439.db2.gz NEIBHZJTJUNVDI-AEJSXWLSSA-N 2 1 197.326 1.679 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299894146 572841452 /nfs/dbraw/zinc/84/14/52/572841452.db2.gz SXMUTKNRJVYZRF-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1nc(C[NH+](C)C)sc1CC[NH3+] 85955745 572841483 /nfs/dbraw/zinc/84/14/83/572841483.db2.gz FSYTUNMPUJLXCD-UHFFFAOYSA-N 2 1 199.323 1.014 10 0 ADAEMP C[NH2+][C@H](C)C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009387 572841499 /nfs/dbraw/zinc/84/14/99/572841499.db2.gz MHXDJSSXQVTIPE-KXNHARMFSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H]([NH3+])C2)C1 71507427 572841545 /nfs/dbraw/zinc/84/15/45/572841545.db2.gz JEPUOXYUVBPKQD-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)[NH2+]C 86009117 572841600 /nfs/dbraw/zinc/84/16/00/572841600.db2.gz RFLIIHFCMZJJBT-OUAUKWLOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009094 572841642 /nfs/dbraw/zinc/84/16/42/572841642.db2.gz XTXYPGYAXGEYDJ-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[N@H+](CCCC(N)=[NH2+])C[C@@H]1C 86010215 572841692 /nfs/dbraw/zinc/84/16/92/572841692.db2.gz BYLOBIVLWBLAIS-DTORHVGOSA-N 2 1 183.299 1.290 10 0 ADAEMP CCC[C@H](C[N@@H+]1C[C@@H](C)[C@@H](C)C1)[NH2+]C 86009208 572841746 /nfs/dbraw/zinc/84/17/46/572841746.db2.gz CEZGZONEIIBDMU-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[N@H+](CCCCC(N)=[NH2+])C[C@@H]1C 86010206 572841866 /nfs/dbraw/zinc/84/18/66/572841866.db2.gz OSQXIJMEQFAMHY-AOOOYVTPSA-N 2 1 197.326 1.680 10 0 ADAEMP CC(C)[NH2+]CCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009100 572842035 /nfs/dbraw/zinc/84/20/35/572842035.db2.gz LYYKGWWBIVIINN-TXEJJXNPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+]1CCC=C[C@H]1C[NH3+] 75414278 572842164 /nfs/dbraw/zinc/84/21/64/572842164.db2.gz OHXHUFPPAQHYAS-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CCCC[N@H+]1CCC=C[C@H]1C[NH3+] 75414278 572842165 /nfs/dbraw/zinc/84/21/65/572842165.db2.gz OHXHUFPPAQHYAS-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)[NH2+]CC[NH+]1C[C@@H](C)[C@H](C)C1 86009279 572842261 /nfs/dbraw/zinc/84/22/61/572842261.db2.gz HXNAMIPAKYKAQC-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC2)C[C@@H]1C 86009721 572842295 /nfs/dbraw/zinc/84/22/95/572842295.db2.gz ONPRDLRUFIDRLH-PHIMTYICSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009172 572842339 /nfs/dbraw/zinc/84/23/39/572842339.db2.gz YCBXIIVAFYBYMI-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)c1[nH]c(CC[NH+](C)C)[nH+]c1N 75409408 572842349 /nfs/dbraw/zinc/84/23/49/572842349.db2.gz MAIKRHWBHDHDRP-UHFFFAOYSA-N 2 1 196.298 1.219 10 0 ADAEMP CC[C@H](CC(N)=[NH2+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010225 572842502 /nfs/dbraw/zinc/84/25/02/572842502.db2.gz NEIBHZJTJUNVDI-KXUCPTDWSA-N 2 1 197.326 1.679 10 0 ADAEMP CCC[NH2+][C@H](C)C[NH+]1C[C@@H](C)[C@H](C)C1 86009274 572842529 /nfs/dbraw/zinc/84/25/29/572842529.db2.gz QGZGSAVTTSGNTO-IJLUTSLNSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009182 572842541 /nfs/dbraw/zinc/84/25/41/572842541.db2.gz FGULSZQRWDIETC-PHIMTYICSA-N 2 1 184.327 1.574 10 0 ADAEMP CCC[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009182 572842543 /nfs/dbraw/zinc/84/25/43/572842543.db2.gz FGULSZQRWDIETC-PHIMTYICSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1C[N@H+](CCC(C)(C)C[NH3+])C[C@@H]1C 86008594 572842613 /nfs/dbraw/zinc/84/26/13/572842613.db2.gz GIXKTDYVIBIAGF-PHIMTYICSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009524 572842763 /nfs/dbraw/zinc/84/27/63/572842763.db2.gz IJNGXQOUYOOQJT-WRWGMCAJSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H]1C[N@H+](CCCCC[NH3+])C[C@@H]1C 86008522 572843071 /nfs/dbraw/zinc/84/30/71/572843071.db2.gz YFZJPQKIGJSOOA-PHIMTYICSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009429 572843089 /nfs/dbraw/zinc/84/30/89/572843089.db2.gz DFPQESGLAZBVFZ-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009173 572843128 /nfs/dbraw/zinc/84/31/28/572843128.db2.gz YCBXIIVAFYBYMI-OUAUKWLOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[N@H+](CCCC[NH3+])C[C@@H]1C 86008566 572843178 /nfs/dbraw/zinc/84/31/78/572843178.db2.gz ZAPFCLYBNKEKLZ-AOOOYVTPSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009261 572843226 /nfs/dbraw/zinc/84/32/26/572843226.db2.gz AOUPMKHWMHZDRV-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[NH+](CC[NH2+]C2CC2)C[C@H]1C 86009299 572843279 /nfs/dbraw/zinc/84/32/79/572843279.db2.gz YZJILVLZINOITN-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[NH2+]CC[NH+]1C[C@@H](C)[C@H](C)C1 86009184 572843390 /nfs/dbraw/zinc/84/33/90/572843390.db2.gz FGULSZQRWDIETC-GHMZBOCLSA-N 2 1 184.327 1.574 10 0 ADAEMP CCCC[N@@H+]1CCC=C[C@@H]1C[NH3+] 75414276 572843466 /nfs/dbraw/zinc/84/34/66/572843466.db2.gz OHXHUFPPAQHYAS-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CCCC[N@H+]1CCC=C[C@@H]1C[NH3+] 75414276 572843470 /nfs/dbraw/zinc/84/34/70/572843470.db2.gz OHXHUFPPAQHYAS-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CCC[NH2+]CC[NH+]1C[C@H](C)[C@@H](C)C1 86009186 572843476 /nfs/dbraw/zinc/84/34/76/572843476.db2.gz FGULSZQRWDIETC-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86009276 572843532 /nfs/dbraw/zinc/84/35/32/572843532.db2.gz HXNAMIPAKYKAQC-PHIMTYICSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009276 572843535 /nfs/dbraw/zinc/84/35/35/572843535.db2.gz HXNAMIPAKYKAQC-PHIMTYICSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[N@H+](CC2(CC[NH3+])CC2)C[C@@H]1C 86008511 572843931 /nfs/dbraw/zinc/84/39/31/572843931.db2.gz KVVDPZLVJLBPMQ-PHIMTYICSA-N 2 1 196.338 1.703 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894145 572843840 /nfs/dbraw/zinc/84/38/40/572843840.db2.gz SXMUTKNRJVYZRF-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894145 572843844 /nfs/dbraw/zinc/84/38/44/572843844.db2.gz SXMUTKNRJVYZRF-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+]1CCC=C[C@@H]1C[NH3+] 75414297 572843939 /nfs/dbraw/zinc/84/39/39/572843939.db2.gz NWRAZNHHWUZEFW-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)CC[N@H+]1CCC=C[C@@H]1C[NH3+] 75414297 572843943 /nfs/dbraw/zinc/84/39/43/572843943.db2.gz NWRAZNHHWUZEFW-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894144 572843970 /nfs/dbraw/zinc/84/39/70/572843970.db2.gz SXMUTKNRJVYZRF-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894144 572843973 /nfs/dbraw/zinc/84/39/73/572843973.db2.gz SXMUTKNRJVYZRF-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+]1C[C@@H](C)[C@@H](C)C1 86009268 572843995 /nfs/dbraw/zinc/84/39/95/572843995.db2.gz QGZGSAVTTSGNTO-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009268 572844000 /nfs/dbraw/zinc/84/40/00/572844000.db2.gz QGZGSAVTTSGNTO-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[NH+](CC[NH2+]C2CC2)C[C@@H]1C 86009296 572844017 /nfs/dbraw/zinc/84/40/17/572844017.db2.gz YZJILVLZINOITN-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP CCOCC[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 87977046 572844760 /nfs/dbraw/zinc/84/47/60/572844760.db2.gz DAXPGQMXIBRPGJ-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](C)CCCCC[NH3+] 87976290 572845346 /nfs/dbraw/zinc/84/53/46/572845346.db2.gz DJKYPDXZGCWMIJ-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP CCOCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 87977045 572845942 /nfs/dbraw/zinc/84/59/42/572845942.db2.gz DAXPGQMXIBRPGJ-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](C)[C@H](CC)CC[NH3+] 87976298 572846088 /nfs/dbraw/zinc/84/60/88/572846088.db2.gz XCPPPVCZXAIAQI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC(C)OCC[N@@H+](C)CCCC[NH3+] 87976364 572846892 /nfs/dbraw/zinc/84/68/92/572846892.db2.gz GMYDVACAJKUMLT-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP C[NH2+]C1(C[NH2+]C2CCC2)CCC1 307963632 572847300 /nfs/dbraw/zinc/84/73/00/572847300.db2.gz OURAVXFWSYGKEE-UHFFFAOYSA-N 2 1 168.284 1.271 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]CC1CCC1 307958965 572847480 /nfs/dbraw/zinc/84/74/80/572847480.db2.gz IQVLLSPVZFBQHR-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]CC1CCC1 307958967 572847617 /nfs/dbraw/zinc/84/76/17/572847617.db2.gz IQVLLSPVZFBQHR-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CCOCC[N@H+](C)C[C@@](C)([NH3+])CC 87977891 572849298 /nfs/dbraw/zinc/84/92/98/572849298.db2.gz SRKPYWZXLXMAJI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](C)[C@H](C)[C@@H]([NH3+])CC 87977224 572848544 /nfs/dbraw/zinc/84/85/44/572848544.db2.gz ZELFKHKOAXHRPS-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](C)[C@H](C)[C@@H]([NH3+])CC 87977224 572848546 /nfs/dbraw/zinc/84/85/46/572848546.db2.gz ZELFKHKOAXHRPS-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP C1C[C@@H]2C[NH2+][C@@H](C[NH2+]C3CC3)[C@H]2C1 299896983 572848578 /nfs/dbraw/zinc/84/85/78/572848578.db2.gz PNJNERKPOLXJDQ-MIMYLULJSA-N 2 1 180.295 1.127 10 0 ADAEMP CCOCC[N@H+](C)[C@@H](C)[C@@H]([NH3+])CC 87977226 572848645 /nfs/dbraw/zinc/84/86/45/572848645.db2.gz ZELFKHKOAXHRPS-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](C)[C@@H](C)[C@@H]([NH3+])CC 87977226 572848650 /nfs/dbraw/zinc/84/86/50/572848650.db2.gz ZELFKHKOAXHRPS-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H]1C[NH2+][C@H]1CC1(C)C 299896847 572848687 /nfs/dbraw/zinc/84/86/87/572848687.db2.gz NYNGXJSDRYZVSO-UTLUCORTSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)OCC[N@@H+](C)CC[C@@H](C)[NH3+] 87977592 572848940 /nfs/dbraw/zinc/84/89/40/572848940.db2.gz OFIZXFLRKKONHM-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CCOCC[N@@H+](C)CCC[C@@H](C)[NH3+] 87977284 572849194 /nfs/dbraw/zinc/84/91/94/572849194.db2.gz NEZLIXBHFHOVFY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@@H+](C)C[C@@](C)([NH3+])CC 87977891 572849302 /nfs/dbraw/zinc/84/93/02/572849302.db2.gz SRKPYWZXLXMAJI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C1C[C@@H]2C[NH2+][C@H](C[NH2+]C3CC3)[C@H]2C1 299896982 572849367 /nfs/dbraw/zinc/84/93/67/572849367.db2.gz PNJNERKPOLXJDQ-DVVUODLYSA-N 2 1 180.295 1.127 10 0 ADAEMP CC(C)OCC[N@@H+](C)CC[C@H](C)[NH3+] 87977593 572849432 /nfs/dbraw/zinc/84/94/32/572849432.db2.gz OFIZXFLRKKONHM-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[NH2+][C@H]1CC1(C)C 299896846 572849499 /nfs/dbraw/zinc/84/94/99/572849499.db2.gz NYNGXJSDRYZVSO-BBBLOLIVSA-N 2 1 182.311 1.373 10 0 ADAEMP C[N@H+](CC[NH3+])C[C@@H]1CCCSC1 307959497 572849915 /nfs/dbraw/zinc/84/99/15/572849915.db2.gz JFAADIOKXONKRT-VIFPVBQESA-N 2 1 188.340 1.020 10 0 ADAEMP C[N@@H+](CC[NH3+])C[C@@H]1CCCSC1 307959497 572849919 /nfs/dbraw/zinc/84/99/19/572849919.db2.gz JFAADIOKXONKRT-VIFPVBQESA-N 2 1 188.340 1.020 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]([NH3+])CC1CC1 307960372 572850028 /nfs/dbraw/zinc/85/00/28/572850028.db2.gz KFQLNTRMRYHWNR-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP CCOCC[N@@H+](C)CCC[C@H](C)[NH3+] 87977285 572850080 /nfs/dbraw/zinc/85/00/80/572850080.db2.gz NEZLIXBHFHOVFY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@@H+](C)CCC(C)(C)[NH3+] 87977903 572850173 /nfs/dbraw/zinc/85/01/73/572850173.db2.gz JHUPBKZEHYQHPD-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](C)C[C@](C)([NH3+])CC 87977892 572850386 /nfs/dbraw/zinc/85/03/86/572850386.db2.gz SRKPYWZXLXMAJI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@H+](CC[NH3+])C[C@H]1CCCSC1 307959495 572850826 /nfs/dbraw/zinc/85/08/26/572850826.db2.gz JFAADIOKXONKRT-SECBINFHSA-N 2 1 188.340 1.020 10 0 ADAEMP CCOCC[N@@H+](C)C[C@](C)([NH3+])CC 87977892 572850392 /nfs/dbraw/zinc/85/03/92/572850392.db2.gz SRKPYWZXLXMAJI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@@H+](CC[NH3+])C[C@H]1CCCSC1 307959495 572850829 /nfs/dbraw/zinc/85/08/29/572850829.db2.gz JFAADIOKXONKRT-SECBINFHSA-N 2 1 188.340 1.020 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]([NH3+])CC1CC1 307960373 572850745 /nfs/dbraw/zinc/85/07/45/572850745.db2.gz KFQLNTRMRYHWNR-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]CCC(C)C 307960582 572851749 /nfs/dbraw/zinc/85/17/49/572851749.db2.gz KQOXXIVJGPAJIU-SNVBAGLBSA-N 2 1 172.316 1.750 10 0 ADAEMP CCOCC[N@@H+](C)[C@@H](C)CCC[NH3+] 87979662 572851845 /nfs/dbraw/zinc/85/18/45/572851845.db2.gz FAJAQXWRCYURBM-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C1C[C@@H]2C[NH2+][C@@H](C[NH+]3CCCC3)[C@@H]2C1 299899009 572853917 /nfs/dbraw/zinc/85/39/17/572853917.db2.gz WQKBYJOGRWGAEH-UTUOFQBUSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015131 572853933 /nfs/dbraw/zinc/85/39/33/572853933.db2.gz YIYXUXCRUUJOOB-AXFHLTTASA-N 2 1 184.327 1.559 10 0 ADAEMP CCOCC[N@@H+](C)[C@H](C)CCC[NH3+] 87979663 572853956 /nfs/dbraw/zinc/85/39/56/572853956.db2.gz FAJAQXWRCYURBM-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)CCC[NH+](C)C 307960749 572854022 /nfs/dbraw/zinc/85/40/22/572854022.db2.gz WKOKEMPMWNHFKE-JTQLQIEISA-N 2 1 172.316 1.668 10 0 ADAEMP CC[N@@H+](C)[C@H](C)CCC[NH+](C)C 307960750 572854075 /nfs/dbraw/zinc/85/40/75/572854075.db2.gz WKOKEMPMWNHFKE-SNVBAGLBSA-N 2 1 172.316 1.668 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015613 572854136 /nfs/dbraw/zinc/85/41/36/572854136.db2.gz SRNNWTBWQLNWEI-GRYCIOLGSA-N 2 1 198.354 1.805 10 0 ADAEMP C[NH2+]CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012446 572854189 /nfs/dbraw/zinc/85/41/89/572854189.db2.gz KEJFXOYEIHZTBB-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011418 572854208 /nfs/dbraw/zinc/85/42/08/572854208.db2.gz BKOURUZSWBCJFA-GARJFASQSA-N 2 1 184.327 1.430 10 0 ADAEMP CCCC[NH2+]CC[NH+]1C[C@@H](C)[C@H](C)C1 86012928 572854338 /nfs/dbraw/zinc/85/43/38/572854338.db2.gz NKYQESIXCQREKH-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[NH2+]CC[NH+]1C[C@@H](C)[C@H](C)C1 86012413 572854627 /nfs/dbraw/zinc/85/46/27/572854627.db2.gz IADVZPMBDFNMMK-VXGBXAGGSA-N 2 1 198.354 1.820 10 0 ADAEMP FCCCC[NH2+]CC[NH2+]C1CC1 307961732 572854687 /nfs/dbraw/zinc/85/46/87/572854687.db2.gz MGRRYZPLUVWTEN-UHFFFAOYSA-N 2 1 174.263 1.078 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012725 572854810 /nfs/dbraw/zinc/85/48/10/572854810.db2.gz HJPQZIFNQZFWFV-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012725 572854813 /nfs/dbraw/zinc/85/48/13/572854813.db2.gz HJPQZIFNQZFWFV-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012487 572854945 /nfs/dbraw/zinc/85/49/45/572854945.db2.gz YPTWMEUXLNUZJR-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccco1 86070467 572855053 /nfs/dbraw/zinc/85/50/53/572855053.db2.gz SIBSSIZLXYCDHX-SECBINFHSA-N 2 1 182.267 1.225 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012512 572855097 /nfs/dbraw/zinc/85/50/97/572855097.db2.gz VHNRZPQYFVPXKO-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012459 572855187 /nfs/dbraw/zinc/85/51/87/572855187.db2.gz RTEANMRMYRBJFX-OUAUKWLOSA-N 2 1 184.327 1.572 10 0 ADAEMP FCCCC[NH2+][C@@H]1CCC[NH2+]C1 307961741 572855237 /nfs/dbraw/zinc/85/52/37/572855237.db2.gz MHNCSIGEARUMQU-SECBINFHSA-N 2 1 174.263 1.078 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[NH2+]CC2CC2)C[C@@H]1C 86012989 572855439 /nfs/dbraw/zinc/85/54/39/572855439.db2.gz LFXRQEPTZYBHOD-PHIMTYICSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1C[N@H+](CC[NH2+]CC2CC2)C[C@@H]1C 86012989 572855444 /nfs/dbraw/zinc/85/54/44/572855444.db2.gz LFXRQEPTZYBHOD-PHIMTYICSA-N 2 1 196.338 1.574 10 0 ADAEMP FCCCC[NH2+][C@H]1CCC[NH2+]C1 307961742 572855468 /nfs/dbraw/zinc/85/54/68/572855468.db2.gz MHNCSIGEARUMQU-VIFPVBQESA-N 2 1 174.263 1.078 10 0 ADAEMP C1C[C@@H]2C[NH2+][C@H](C[NH+]3CCCC3)[C@@H]2C1 299899008 572855530 /nfs/dbraw/zinc/85/55/30/572855530.db2.gz WQKBYJOGRWGAEH-IJLUTSLNSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+]CCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012537 572855539 /nfs/dbraw/zinc/85/55/39/572855539.db2.gz DCTRLLMYCFXYQA-PHIMTYICSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H](C)C[NH2+]C2CC2)C[C@@H]1C 86012408 572856366 /nfs/dbraw/zinc/85/63/66/572856366.db2.gz QOCMOVNFHDQUCS-AXFHLTTASA-N 2 1 196.338 1.715 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015144 572855566 /nfs/dbraw/zinc/85/55/66/572855566.db2.gz OFHORDDSWFULJM-GRYCIOLGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]C1(C[NH2+]C[C@H]2C[C@H]2C)CCC1 308146854 572855593 /nfs/dbraw/zinc/85/55/93/572855593.db2.gz ZOPWVFYVAYHGOC-NXEZZACHSA-N 2 1 182.311 1.374 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H](C)CCC[NH3+])C[C@@H]1C 86012531 572855655 /nfs/dbraw/zinc/85/56/55/572855655.db2.gz MHSYMNZKXZEVDR-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C1(C[NH2+]C[C@@H]2C[C@@H]2C)CCC1 308146855 572855659 /nfs/dbraw/zinc/85/56/59/572855659.db2.gz ZOPWVFYVAYHGOC-UWVGGRQHSA-N 2 1 182.311 1.374 10 0 ADAEMP C[NH2+]C1(C[NH2+]C[C@H]2C[C@@H]2C)CCC1 308146857 572855742 /nfs/dbraw/zinc/85/57/42/572855742.db2.gz ZOPWVFYVAYHGOC-VHSXEESVSA-N 2 1 182.311 1.374 10 0 ADAEMP CC[NH2+]C[C@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011414 572855854 /nfs/dbraw/zinc/85/58/54/572855854.db2.gz HQGNXZNJAPZWFA-SDDRHHMPSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[NH2+]CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012604 572855954 /nfs/dbraw/zinc/85/59/54/572855954.db2.gz XCBZOYRBGJHYFU-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[NH+](CC[NH2+]CC2CC2)C[C@@H]1C 86012992 572856029 /nfs/dbraw/zinc/85/60/29/572856029.db2.gz LFXRQEPTZYBHOD-QWRGUYRKSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@@H](C)[C@@](C)(C[NH3+])[NH2+]C(C)C 307961743 572856048 /nfs/dbraw/zinc/85/60/48/572856048.db2.gz MHNHOQMGJAHWAP-NXEZZACHSA-N 2 1 172.316 1.748 10 0 ADAEMP CC(C)C[NH2+]CC[NH+]1C[C@H](C)[C@@H](C)C1 86012412 572856108 /nfs/dbraw/zinc/85/61/08/572856108.db2.gz IADVZPMBDFNMMK-RYUDHWBXSA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1 86012488 572856119 /nfs/dbraw/zinc/85/61/19/572856119.db2.gz YPTWMEUXLNUZJR-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012488 572856121 /nfs/dbraw/zinc/85/61/21/572856121.db2.gz YPTWMEUXLNUZJR-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[NH+](CC[NH2+]CC2CC2)C[C@H]1C 86012996 572856201 /nfs/dbraw/zinc/85/62/01/572856201.db2.gz LFXRQEPTZYBHOD-GHMZBOCLSA-N 2 1 196.338 1.574 10 0 ADAEMP [NH3+][C@H](C[NH2+]CC1CC1)CC(F)(F)F 308146534 572856211 /nfs/dbraw/zinc/85/62/11/572856211.db2.gz OLKHNGOIHYDVDX-ZETCQYMHSA-N 2 1 196.216 1.266 10 0 ADAEMP C[NH2+]CC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012265 572857057 /nfs/dbraw/zinc/85/70/57/572857057.db2.gz KBFHRVAZQKRIJR-PHIMTYICSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[C@@H](C)[C@](C)(C[NH3+])[NH2+]C(C)C 307961746 572856454 /nfs/dbraw/zinc/85/64/54/572856454.db2.gz MHNHOQMGJAHWAP-ZJUUUORDSA-N 2 1 172.316 1.748 10 0 ADAEMP C[NH2+]C1(C[NH2+]C[C@@H]2C[C@H]2C)CCC1 308146859 572856545 /nfs/dbraw/zinc/85/65/45/572856545.db2.gz ZOPWVFYVAYHGOC-ZJUUUORDSA-N 2 1 182.311 1.374 10 0 ADAEMP CCC[NH2+]C[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 86012490 572856546 /nfs/dbraw/zinc/85/65/46/572856546.db2.gz YPTWMEUXLNUZJR-UTUOFQBUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012727 572856599 /nfs/dbraw/zinc/85/65/99/572856599.db2.gz HJPQZIFNQZFWFV-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012727 572856604 /nfs/dbraw/zinc/85/66/04/572856604.db2.gz HJPQZIFNQZFWFV-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012456 572856678 /nfs/dbraw/zinc/85/66/78/572856678.db2.gz OKGBXVAXLHBXFW-TUAOUCFPSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[C@H](C)[C@](C)(C[NH3+])[NH2+]C(C)C 307961744 572856704 /nfs/dbraw/zinc/85/67/04/572856704.db2.gz MHNHOQMGJAHWAP-UWVGGRQHSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012182 572856777 /nfs/dbraw/zinc/85/67/77/572856777.db2.gz ZSSZKYQAEZUVDK-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86011413 572856840 /nfs/dbraw/zinc/85/68/40/572856840.db2.gz HQGNXZNJAPZWFA-UTUOFQBUSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[C@H](C)[C@@](C)(C[NH3+])[NH2+]C(C)C 307961745 572856858 /nfs/dbraw/zinc/85/68/58/572856858.db2.gz MHNHOQMGJAHWAP-VHSXEESVSA-N 2 1 172.316 1.748 10 0 ADAEMP CCCC[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012927 572857220 /nfs/dbraw/zinc/85/72/20/572857220.db2.gz NKYQESIXCQREKH-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP CCCC[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012927 572857223 /nfs/dbraw/zinc/85/72/23/572857223.db2.gz NKYQESIXCQREKH-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012460 572857355 /nfs/dbraw/zinc/85/73/55/572857355.db2.gz RTEANMRMYRBJFX-AXFHLTTASA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]CCCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012494 572857370 /nfs/dbraw/zinc/85/73/70/572857370.db2.gz NOGRWWPOFPHSKX-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015538 572857382 /nfs/dbraw/zinc/85/73/82/572857382.db2.gz CJNXCWPVIKINHR-YFKTTZPYSA-N 2 1 198.354 1.948 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77263082 572858733 /nfs/dbraw/zinc/85/87/33/572858733.db2.gz LJRGFFHEXXHAJP-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@](C)(C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012183 572857464 /nfs/dbraw/zinc/85/74/64/572857464.db2.gz ZSSZKYQAEZUVDK-GRYCIOLGSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[NH2+]CC[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012605 572857483 /nfs/dbraw/zinc/85/74/83/572857483.db2.gz XCBZOYRBGJHYFU-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+]CCCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012500 572857498 /nfs/dbraw/zinc/85/74/98/572857498.db2.gz CELAGCIEKTUUCB-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015134 572857562 /nfs/dbraw/zinc/85/75/62/572857562.db2.gz YIYXUXCRUUJOOB-OUAUKWLOSA-N 2 1 184.327 1.559 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015141 572857613 /nfs/dbraw/zinc/85/76/13/572857613.db2.gz OFHORDDSWFULJM-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccco1 86070466 572857640 /nfs/dbraw/zinc/85/76/40/572857640.db2.gz SIBSSIZLXYCDHX-VIFPVBQESA-N 2 1 182.267 1.225 10 0 ADAEMP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015530 572857647 /nfs/dbraw/zinc/85/76/47/572857647.db2.gz CJNXCWPVIKINHR-NNYUYHANSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)C[NH2+]CC[N@H+]1C[C@@H](C)[C@@H](C)C1 86012411 572857670 /nfs/dbraw/zinc/85/76/70/572857670.db2.gz IADVZPMBDFNMMK-TXEJJXNPSA-N 2 1 198.354 1.820 10 0 ADAEMP CC(C)C[NH2+]CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86012411 572857674 /nfs/dbraw/zinc/85/76/74/572857674.db2.gz IADVZPMBDFNMMK-TXEJJXNPSA-N 2 1 198.354 1.820 10 0 ADAEMP CSCC[NH2+][C@](C)(C[NH3+])C(C)C 307962663 572857869 /nfs/dbraw/zinc/85/78/69/572857869.db2.gz NFLUKDVUSXQHNK-SECBINFHSA-N 2 1 190.356 1.312 10 0 ADAEMP CC[C@H]1CC[N@@H+](C2CC2)C[C@@H]1[NH3+] 77263089 572858367 /nfs/dbraw/zinc/85/83/67/572858367.db2.gz LJRGFFHEXXHAJP-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77263089 572858371 /nfs/dbraw/zinc/85/83/71/572858371.db2.gz LJRGFFHEXXHAJP-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@@H](C[NH2+]CC1CC1)CC(F)(F)F 308146533 572858436 /nfs/dbraw/zinc/85/84/36/572858436.db2.gz OLKHNGOIHYDVDX-SSDOTTSWSA-N 2 1 196.216 1.266 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)C[C@@H]1[NH3+] 77263082 572858738 /nfs/dbraw/zinc/85/87/38/572858738.db2.gz LJRGFFHEXXHAJP-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@]1(C[NH3+])CCC[N@@H+](CCC2CC2)C1 688703732 572858949 /nfs/dbraw/zinc/85/89/49/572858949.db2.gz LJSLCBYGEKSDRP-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccco2)[NH2+]1 714565490 572859109 /nfs/dbraw/zinc/85/91/09/572859109.db2.gz FJRGJQSKRZDYKM-HLTSFMKQSA-N 2 1 180.251 1.420 10 0 ADAEMP CCC[N@H+]1CC[C@H](CC[NH2+]C)C1 77264171 572865173 /nfs/dbraw/zinc/86/51/73/572865173.db2.gz MDAVVWCUYVPBQJ-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP COC(C)(C)[C@H](C)[N@H+](C)C[C@H](C)[NH3+] 308148309 572859579 /nfs/dbraw/zinc/85/95/79/572859579.db2.gz PJQCDKLGTMPSML-IUCAKERBSA-N 2 1 188.315 1.079 10 0 ADAEMP COC(C)(C)[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] 308148309 572859587 /nfs/dbraw/zinc/85/95/87/572859587.db2.gz PJQCDKLGTMPSML-IUCAKERBSA-N 2 1 188.315 1.079 10 0 ADAEMP COC(C)(C)[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] 308148307 572859689 /nfs/dbraw/zinc/85/96/89/572859689.db2.gz PJQCDKLGTMPSML-DTWKUNHWSA-N 2 1 188.315 1.079 10 0 ADAEMP COC(C)(C)[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] 308148307 572859693 /nfs/dbraw/zinc/85/96/93/572859693.db2.gz PJQCDKLGTMPSML-DTWKUNHWSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@@H]2CCCC[C@H]2[N@H+]1C 257585541 572860078 /nfs/dbraw/zinc/86/00/78/572860078.db2.gz NHJPQJZNWNSVJA-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP COC(C)(C)[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] 308148310 572860169 /nfs/dbraw/zinc/86/01/69/572860169.db2.gz PJQCDKLGTMPSML-RKDXNWHRSA-N 2 1 188.315 1.079 10 0 ADAEMP COC(C)(C)[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 308148310 572860171 /nfs/dbraw/zinc/86/01/71/572860171.db2.gz PJQCDKLGTMPSML-RKDXNWHRSA-N 2 1 188.315 1.079 10 0 ADAEMP C[C@]1(C[NH3+])CCC[N@@H+](CCC2CC2)C1 688703731 572860196 /nfs/dbraw/zinc/86/01/96/572860196.db2.gz LJSLCBYGEKSDRP-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@H](c2ccco2)[NH2+]1 714565492 572860502 /nfs/dbraw/zinc/86/05/02/572860502.db2.gz FJRGJQSKRZDYKM-HRDYMLBCSA-N 2 1 180.251 1.420 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccco2)[NH2+]1 714565494 572860559 /nfs/dbraw/zinc/86/05/59/572860559.db2.gz FJRGJQSKRZDYKM-VGMNWLOBSA-N 2 1 180.251 1.420 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccco2)[NH2+]1 714565493 572860703 /nfs/dbraw/zinc/86/07/03/572860703.db2.gz FJRGJQSKRZDYKM-IWSPIJDZSA-N 2 1 180.251 1.420 10 0 ADAEMP CC(C)[C@@H]1C[NH2+]CC[N@H+]2CCCC[C@@H]12 257586216 572864431 /nfs/dbraw/zinc/86/44/31/572864431.db2.gz XAFWLYQDHHNNHA-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@@H](CC[NH2+]C)C1 77264175 572865698 /nfs/dbraw/zinc/86/56/98/572865698.db2.gz MDAVVWCUYVPBQJ-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@H]2CCCC[C@H]2[N@H+]1C 257585540 572861164 /nfs/dbraw/zinc/86/11/64/572861164.db2.gz NHJPQJZNWNSVJA-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H]1C[NH2+]CC[N@H+]2CCCC[C@@H]12 257586215 572864475 /nfs/dbraw/zinc/86/44/75/572864475.db2.gz XAFWLYQDHHNNHA-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CC(C)(C)[NH2+]C[C@@H]2CCCC[C@H]21 257586225 572862601 /nfs/dbraw/zinc/86/26/01/572862601.db2.gz XLWYNYJKVSZBJY-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094169 572865714 /nfs/dbraw/zinc/86/57/14/572865714.db2.gz RZIFYGBAMVCMJW-GHMZBOCLSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H](CCCC[NH3+])[N@H+]1CC[C@H]1C 307964283 572862979 /nfs/dbraw/zinc/86/29/79/572862979.db2.gz PRTZAQVFAPOIAL-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@H+]1CC(C)(C)[NH2+]C[C@@H]2CCCC[C@@H]21 257586224 572863082 /nfs/dbraw/zinc/86/30/82/572863082.db2.gz XLWYNYJKVSZBJY-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1c[nH+]cn1[C@H](C)CC[NH3+] 307965661 572865776 /nfs/dbraw/zinc/86/57/76/572865776.db2.gz QVUQWHSRWMDYNT-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094405 572863861 /nfs/dbraw/zinc/86/38/61/572863861.db2.gz FFTYGYGQWVDDKQ-VXGBXAGGSA-N 2 1 196.338 1.868 10 0 ADAEMP CCC[C@@H]1CCC[N@H+]1CCC[NH3+] 75560506 572864027 /nfs/dbraw/zinc/86/40/27/572864027.db2.gz NTDUIBZHUXWCQW-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[N@@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094382 572864058 /nfs/dbraw/zinc/86/40/58/572864058.db2.gz FPBZYMMRZSLTKJ-GHMZBOCLSA-N 2 1 194.322 1.764 10 0 ADAEMP CCCC[C@H]1CCC[N@@H+]1CC[NH3+] 75560558 572864146 /nfs/dbraw/zinc/86/41/46/572864146.db2.gz FEHFYELMESZZGV-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[C@H]1CCC[N@H+]1CC[NH3+] 75560558 572864150 /nfs/dbraw/zinc/86/41/50/572864150.db2.gz FEHFYELMESZZGV-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094166 572864152 /nfs/dbraw/zinc/86/41/52/572864152.db2.gz RZIFYGBAMVCMJW-WDEREUQCSA-N 2 1 182.311 1.622 10 0 ADAEMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(C)o1 86070677 572864182 /nfs/dbraw/zinc/86/41/82/572864182.db2.gz NBCYBCBAIXALKZ-VIFPVBQESA-N 2 1 196.294 1.533 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094392 572864310 /nfs/dbraw/zinc/86/43/10/572864310.db2.gz ONBWJQHTCCJQPL-NXEZZACHSA-N 2 1 168.284 1.232 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@H]1C=C[C@@H]([NH3+])C1 86094403 572864339 /nfs/dbraw/zinc/86/43/39/572864339.db2.gz FFTYGYGQWVDDKQ-NWDGAFQWSA-N 2 1 196.338 1.868 10 0 ADAEMP C/C=C\C[NH2+]CCC[N@@H+](C)C(C)C 308154057 572864560 /nfs/dbraw/zinc/86/45/60/572864560.db2.gz NJGUAIUPBCZHRJ-WAYWQWQTSA-N 2 1 184.327 1.882 10 0 ADAEMP CC[N@@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094340 572864767 /nfs/dbraw/zinc/86/47/67/572864767.db2.gz FIDLPJDLLQKATC-VHSXEESVSA-N 2 1 180.295 1.374 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094423 572864790 /nfs/dbraw/zinc/86/47/90/572864790.db2.gz GIBLKVHKRHQWDB-SDDRHHMPSA-N 2 1 196.338 1.868 10 0 ADAEMP CCC[C@H]1CCC[N@H+]1CCC[NH3+] 75560511 572864844 /nfs/dbraw/zinc/86/48/44/572864844.db2.gz NTDUIBZHUXWCQW-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CC(C)(C)CC[N@H+]1CC[C@@](C)([NH3+])C1 405787235 572864870 /nfs/dbraw/zinc/86/48/70/572864870.db2.gz JOCSUHCPQZPUHQ-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094401 572864973 /nfs/dbraw/zinc/86/49/73/572864973.db2.gz DBMDJMMMBWBYSY-GARJFASQSA-N 2 1 182.311 1.620 10 0 ADAEMP CC[C@H](C[NH+]1CCCC1)[NH2+]C 50166282 572864996 /nfs/dbraw/zinc/86/49/96/572864996.db2.gz LESPMWLCDQHTEK-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1C=C[C@@H]([NH3+])C1 86094373 572865064 /nfs/dbraw/zinc/86/50/64/572865064.db2.gz NJJPUDSUWMAMJG-GHMZBOCLSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094397 572865157 /nfs/dbraw/zinc/86/51/57/572865157.db2.gz LKQKXTMOKRILOU-GHMZBOCLSA-N 2 1 182.311 1.478 10 0 ADAEMP CC[N@@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C(C)C 86094351 572865258 /nfs/dbraw/zinc/86/52/58/572865258.db2.gz MDDOPCNJIMZTLT-WDEREUQCSA-N 2 1 182.311 1.620 10 0 ADAEMP C[C@@H]1C[C@@H](C[N@@H+]2CC=CCC2)CC[NH2+]1 235380774 572865359 /nfs/dbraw/zinc/86/53/59/572865359.db2.gz CFTYTENJFBSXTF-NEPJUHHUSA-N 2 1 194.322 1.636 10 0 ADAEMP C[NH2+]C1(C[NH2+]C2(C)CC2)CCC1 307964845 572865423 /nfs/dbraw/zinc/86/54/23/572865423.db2.gz QCAWHIKTQQZFJF-UHFFFAOYSA-N 2 1 168.284 1.271 10 0 ADAEMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(C)o1 86070679 572865488 /nfs/dbraw/zinc/86/54/88/572865488.db2.gz NBCYBCBAIXALKZ-SECBINFHSA-N 2 1 196.294 1.533 10 0 ADAEMP CCc1c[nH+]cn1[C@@H](C)CC[NH3+] 307965662 572865506 /nfs/dbraw/zinc/86/55/06/572865506.db2.gz QVUQWHSRWMDYNT-QMMMGPOBSA-N 2 1 167.256 1.355 10 0 ADAEMP CCC[N@@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094379 572865523 /nfs/dbraw/zinc/86/55/23/572865523.db2.gz FPBZYMMRZSLTKJ-WDEREUQCSA-N 2 1 194.322 1.764 10 0 ADAEMP CC[N@@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C1CC1 86094341 572865558 /nfs/dbraw/zinc/86/55/58/572865558.db2.gz FIDLPJDLLQKATC-NXEZZACHSA-N 2 1 180.295 1.374 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094389 572865648 /nfs/dbraw/zinc/86/56/48/572865648.db2.gz ONBWJQHTCCJQPL-VHSXEESVSA-N 2 1 168.284 1.232 10 0 ADAEMP FCCC[NH2+]C[C@H]1CCCC[NH2+]1 307964892 572865951 /nfs/dbraw/zinc/86/59/51/572865951.db2.gz QGBTYBXXMPVKOM-SECBINFHSA-N 2 1 174.263 1.078 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094395 572866126 /nfs/dbraw/zinc/86/61/26/572866126.db2.gz LKQKXTMOKRILOU-WDEREUQCSA-N 2 1 182.311 1.478 10 0 ADAEMP CCC[C@]1(CC[NH3+])CC[N@@H+](C)C1 77264121 572866375 /nfs/dbraw/zinc/86/63/75/572866375.db2.gz BUBSCXNLKZIPNO-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP CC[N@@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C(C)C 86094354 572866415 /nfs/dbraw/zinc/86/64/15/572866415.db2.gz MDDOPCNJIMZTLT-GHMZBOCLSA-N 2 1 182.311 1.620 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86095890 572866753 /nfs/dbraw/zinc/86/67/53/572866753.db2.gz WVJURCHLNCNZMG-WRWGMCAJSA-N 2 1 194.322 1.478 10 0 ADAEMP CC[C@H]1CC[N@@H+](C(C)C)C[C@@H]1[NH3+] 77264093 572867369 /nfs/dbraw/zinc/86/73/69/572867369.db2.gz OXXJEJAUQFXXFH-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H](C1CCCCC1)[N@H+]1CC[C@H](N)C1 50228017 572867088 /nfs/dbraw/zinc/86/70/88/572867088.db2.gz BBPUKVNOQQXREI-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C1CCCCC1)[N@@H+]1CC[C@H]([NH3+])C1 50228017 572867096 /nfs/dbraw/zinc/86/70/96/572867096.db2.gz BBPUKVNOQQXREI-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C1CCCCC1)[N@H+]1CC[C@H]([NH3+])C1 50228017 572867100 /nfs/dbraw/zinc/86/71/00/572867100.db2.gz BBPUKVNOQQXREI-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@@]1(CC[NH3+])CC[N@@H+](C)C1 77264125 572867161 /nfs/dbraw/zinc/86/71/61/572867161.db2.gz BUBSCXNLKZIPNO-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP FCCC[NH2+]C[C@@H]1CCCC[NH2+]1 307964893 572867689 /nfs/dbraw/zinc/86/76/89/572867689.db2.gz QGBTYBXXMPVKOM-VIFPVBQESA-N 2 1 174.263 1.078 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094517 572867783 /nfs/dbraw/zinc/86/77/83/572867783.db2.gz QPFOMUYVXDXFPO-JFGNBEQYSA-N 2 1 194.322 1.620 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@@H]1C=C[C@@H]([NH3+])C1 86094637 572868149 /nfs/dbraw/zinc/86/81/49/572868149.db2.gz OTXNVCIUIYSMPV-GHMZBOCLSA-N 2 1 180.295 1.232 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094523 572868214 /nfs/dbraw/zinc/86/82/14/572868214.db2.gz NSWHPGGAKIBEJM-SDDRHHMPSA-N 2 1 196.338 1.866 10 0 ADAEMP C[N@@H+](CC1CCC1)C[C@@H]1C=C[C@@H]([NH3+])C1 86095615 572868547 /nfs/dbraw/zinc/86/85/47/572868547.db2.gz HJVGAFZBAKLAAJ-VXGBXAGGSA-N 2 1 194.322 1.622 10 0 ADAEMP C[NH2+]C1(C[NH2+]CC(C)C)CCC1 307966586 572868707 /nfs/dbraw/zinc/86/87/07/572868707.db2.gz RMWYKIHCOWKRSE-UHFFFAOYSA-N 2 1 170.300 1.374 10 0 ADAEMP C[N@@H+](CC1CCC1)C[C@H]1C=C[C@@H]([NH3+])C1 86095613 572868874 /nfs/dbraw/zinc/86/88/74/572868874.db2.gz HJVGAFZBAKLAAJ-NWDGAFQWSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@H]1C=C[C@@H]([NH3+])C1 86095904 572868929 /nfs/dbraw/zinc/86/89/29/572868929.db2.gz GUNPKQGKGSROPS-NWDGAFQWSA-N 2 1 194.322 1.622 10 0 ADAEMP C[N@@H+](C[C@H]1C=C[C@@H]([NH3+])C1)CC(C)(C)C 86095411 572868976 /nfs/dbraw/zinc/86/89/76/572868976.db2.gz RJFWAJNWRFFSJU-WDEREUQCSA-N 2 1 196.338 1.868 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@H]1C=C[C@@H]([NH3+])C1 86095909 572869099 /nfs/dbraw/zinc/86/90/99/572869099.db2.gz GUNPKQGKGSROPS-VXGBXAGGSA-N 2 1 194.322 1.622 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094978 572869385 /nfs/dbraw/zinc/86/93/85/572869385.db2.gz LFYJCHQOCJOAOH-NWDGAFQWSA-N 2 1 196.338 1.868 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@H]1C=C[C@@H]([NH3+])C1 86094634 572869469 /nfs/dbraw/zinc/86/94/69/572869469.db2.gz OTXNVCIUIYSMPV-WDEREUQCSA-N 2 1 180.295 1.232 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1CC(F)(F)F 257610535 572869663 /nfs/dbraw/zinc/86/96/63/572869663.db2.gz IIQVSBVJVPZNOX-RNFRBKRXSA-N 2 1 196.216 1.218 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094980 572869954 /nfs/dbraw/zinc/86/99/54/572869954.db2.gz LFYJCHQOCJOAOH-VXGBXAGGSA-N 2 1 196.338 1.868 10 0 ADAEMP CCCCCC[NH2+]C(C)(C)C[NH3+] 307966204 572870627 /nfs/dbraw/zinc/87/06/27/572870627.db2.gz RJRLGLYAIWJNSD-UHFFFAOYSA-N 2 1 172.316 1.894 10 0 ADAEMP Cc1[nH+]c(C(C)C)cn1CCC[NH3+] 75575794 572870698 /nfs/dbraw/zinc/87/06/98/572870698.db2.gz OCWMQVDXMPWGAY-UHFFFAOYSA-N 2 1 181.283 1.664 10 0 ADAEMP Cc1ccc([C@@H]2[C@H]3[C@@H](C[N@H+]2C)[C@H]3[NH3+])o1 257609080 572870764 /nfs/dbraw/zinc/87/07/64/572870764.db2.gz PSHWWOCFVPVICV-APHKKCJPSA-N 2 1 192.262 1.148 10 0 ADAEMP Cc1ccc([C@@H]2[C@H]3[C@@H](C[N@@H+]2C)[C@H]3[NH3+])o1 257609080 572870768 /nfs/dbraw/zinc/87/07/68/572870768.db2.gz PSHWWOCFVPVICV-APHKKCJPSA-N 2 1 192.262 1.148 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]CC1CC=CC1 307965992 572870849 /nfs/dbraw/zinc/87/08/49/572870849.db2.gz RBSAFJBVUFEORC-UHFFFAOYSA-N 2 1 168.284 1.280 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1Cc1ccco1 257609174 572871047 /nfs/dbraw/zinc/87/10/47/572871047.db2.gz WHBSXVODVMHPFJ-GXSJLCMTSA-N 2 1 194.278 1.101 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]C[C@H]1CC1(C)C 307966217 572871136 /nfs/dbraw/zinc/87/11/36/572871136.db2.gz RLDQTGMKLQFFAY-MRVPVSSYSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]C[C@@H]1CC1(C)C 307966218 572871180 /nfs/dbraw/zinc/87/11/80/572871180.db2.gz RLDQTGMKLQFFAY-QMMMGPOBSA-N 2 1 170.300 1.359 10 0 ADAEMP Cc1ccc([C@@H]2[C@@H]3[C@@H]([NH3+])[C@@H]3C[N@@H+]2C)o1 257609085 572871466 /nfs/dbraw/zinc/87/14/66/572871466.db2.gz PSHWWOCFVPVICV-GRLWKWRFSA-N 2 1 192.262 1.148 10 0 ADAEMP Cc1ccc([C@@H]2[C@@H]3[C@@H]([NH3+])[C@@H]3C[N@H+]2C)o1 257609085 572871464 /nfs/dbraw/zinc/87/14/64/572871464.db2.gz PSHWWOCFVPVICV-GRLWKWRFSA-N 2 1 192.262 1.148 10 0 ADAEMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C1CC1 50271366 572871664 /nfs/dbraw/zinc/87/16/64/572871664.db2.gz JKLURFMKEVCNOB-MRVPVSSYSA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H](C[NH2+]CCCF)C1 308156999 572871687 /nfs/dbraw/zinc/87/16/87/572871687.db2.gz UPZWSUXHOQNIOG-VHSXEESVSA-N 2 1 188.290 1.324 10 0 ADAEMP CC(C)C[C@@](C)(C[NH3+])[NH2+]C(C)C 50270759 572871816 /nfs/dbraw/zinc/87/18/16/572871816.db2.gz PIWIKJTTYAAXMU-JTQLQIEISA-N 2 1 172.316 1.748 10 0 ADAEMP CC(C)(C)[C@H](C[NH3+])[NH2+]C1CC1 50271367 572871857 /nfs/dbraw/zinc/87/18/57/572871857.db2.gz JKLURFMKEVCNOB-QMMMGPOBSA-N 2 1 156.273 1.112 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1Cc1ccco1 257609175 572871904 /nfs/dbraw/zinc/87/19/04/572871904.db2.gz WHBSXVODVMHPFJ-MWLCHTKSSA-N 2 1 194.278 1.101 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]C(C)C 50270735 572872045 /nfs/dbraw/zinc/87/20/45/572872045.db2.gz LECRUISMPGPQAT-MRVPVSSYSA-N 2 1 144.262 1.112 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[NH2+]C 50269773 572872077 /nfs/dbraw/zinc/87/20/77/572872077.db2.gz UMOAZCHNSHJBFE-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP CC(C)[NH2+][C@@](C)(C[NH3+])C1CC1 50270987 572872175 /nfs/dbraw/zinc/87/21/75/572872175.db2.gz NIBRMUQVGWHVLF-VIFPVBQESA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@@H]1CCC[C@](C[NH3+])([NH2+]C2CC2)C1 50271067 572872196 /nfs/dbraw/zinc/87/21/96/572872196.db2.gz OFDIZTOLJYMEOU-KOLCDFICSA-N 2 1 182.311 1.646 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1C1CCCCC1 257609100 572872338 /nfs/dbraw/zinc/87/23/38/572872338.db2.gz QDBVONWYKYEDPA-WHOHXGKFSA-N 2 1 194.322 1.454 10 0 ADAEMP CC(C)[NH2+][C@@H](C[NH3+])C(C)(C)C 50271030 572872288 /nfs/dbraw/zinc/87/22/88/572872288.db2.gz RBZFBKDRNXMAEH-QMMMGPOBSA-N 2 1 158.289 1.358 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1C1CCCCC1 257609098 572872320 /nfs/dbraw/zinc/87/23/20/572872320.db2.gz QDBVONWYKYEDPA-USZNOCQGSA-N 2 1 194.322 1.454 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]([NH3+])CC(F)F 308155681 572874154 /nfs/dbraw/zinc/87/41/54/572874154.db2.gz TXFSMYYHIWPCMF-PRJMDXOYSA-N 2 1 192.253 1.357 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]CC 50270267 572872571 /nfs/dbraw/zinc/87/25/71/572872571.db2.gz SIBJIJOOQSVZJL-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]C(C)C 50270734 572872588 /nfs/dbraw/zinc/87/25/88/572872588.db2.gz LECRUISMPGPQAT-QMMMGPOBSA-N 2 1 144.262 1.112 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])C1(SC)CC1 307970681 572872698 /nfs/dbraw/zinc/87/26/98/572872698.db2.gz XBWLLVQOZYKSHE-MRVPVSSYSA-N 2 1 188.340 1.209 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+]CC 50270266 572872785 /nfs/dbraw/zinc/87/27/85/572872785.db2.gz SIBJIJOOQSVZJL-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH2+]C1CC1 50271369 572872870 /nfs/dbraw/zinc/87/28/70/572872870.db2.gz AVHZZQKQHQPZCM-VIFPVBQESA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)C1 50271066 572872906 /nfs/dbraw/zinc/87/29/06/572872906.db2.gz OFDIZTOLJYMEOU-GXSJLCMTSA-N 2 1 182.311 1.646 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@@H](C(C)(C)C)C1 257608964 572872990 /nfs/dbraw/zinc/87/29/90/572872990.db2.gz FIGFWTGTSYLLIV-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[NH2+]C1(C[NH3+])CCCC1 50270405 572873044 /nfs/dbraw/zinc/87/30/44/572873044.db2.gz KJZYWVWJAYWWLT-UHFFFAOYSA-N 2 1 156.273 1.258 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C 50270745 572873170 /nfs/dbraw/zinc/87/31/70/572873170.db2.gz GWAFGBQBBRAUFK-QWRGUYRKSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@@H]1CCC[C@@](C[NH3+])([NH2+]C2CC2)C1 50271065 572873198 /nfs/dbraw/zinc/87/31/98/572873198.db2.gz OFDIZTOLJYMEOU-MWLCHTKSSA-N 2 1 182.311 1.646 10 0 ADAEMP CCC[C@@H](C)[C@@H](C[NH3+])[NH2+]CC 50270363 572873251 /nfs/dbraw/zinc/87/32/51/572873251.db2.gz MOFHMHINQQJGFR-RKDXNWHRSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[NH2+]C1(C[NH3+])CCCCC1 50270593 572873269 /nfs/dbraw/zinc/87/32/69/572873269.db2.gz NQJRBSUENMNNSC-UHFFFAOYSA-N 2 1 170.300 1.648 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH3+])[C@H](C(C)(C)C)C1 257608963 572873475 /nfs/dbraw/zinc/87/34/75/572873475.db2.gz FIGFWTGTSYLLIV-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])C1CCCC1 50272446 572874284 /nfs/dbraw/zinc/87/42/84/572874284.db2.gz BEDPZTMGVNGYID-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP CCC[NH2+][C@@](C)(CC)C[NH3+] 50270397 572873864 /nfs/dbraw/zinc/87/38/64/572873864.db2.gz UQSPQQZRYPNVKV-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]([NH3+])CC(F)F 308155679 572873954 /nfs/dbraw/zinc/87/39/54/572873954.db2.gz TXFSMYYHIWPCMF-CSMHCCOUSA-N 2 1 192.253 1.357 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C1CC1 50271368 572874094 /nfs/dbraw/zinc/87/40/94/572874094.db2.gz AVHZZQKQHQPZCM-SECBINFHSA-N 2 1 156.273 1.112 10 0 ADAEMP CCCCC[C@H](C[NH3+])[NH2+]C 50269774 572874267 /nfs/dbraw/zinc/87/42/67/572874267.db2.gz UMOAZCHNSHJBFE-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])C1CCCC1 50272447 572874335 /nfs/dbraw/zinc/87/43/35/572874335.db2.gz BEDPZTMGVNGYID-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC1CCC(C[NH3+])([NH2+]C(C)C)CC1 50270757 572874367 /nfs/dbraw/zinc/87/43/67/572874367.db2.gz RPOSESBEZOKAJI-UHFFFAOYSA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)[NH2+][C@H](C[NH3+])C(C)(C)C 50271031 572874415 /nfs/dbraw/zinc/87/44/15/572874415.db2.gz RBZFBKDRNXMAEH-MRVPVSSYSA-N 2 1 158.289 1.358 10 0 ADAEMP CCCC[C@@H](C[NH3+])[NH2+]CC 50270355 572874430 /nfs/dbraw/zinc/87/44/30/572874430.db2.gz GXQLPGKTXCTYOM-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH2+]CC 50270356 572874455 /nfs/dbraw/zinc/87/44/55/572874455.db2.gz GXQLPGKTXCTYOM-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@H]1c1cccs1 257608912 572874539 /nfs/dbraw/zinc/87/45/39/572874539.db2.gz APEJFUJMCMBZRJ-QRYDPKPESA-N 2 1 194.303 1.308 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC1 308161376 572874582 /nfs/dbraw/zinc/87/45/82/572874582.db2.gz AMOUBPFSMUXBDM-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC1 308161376 572874594 /nfs/dbraw/zinc/87/45/94/572874594.db2.gz AMOUBPFSMUXBDM-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])CCC 50270573 572874703 /nfs/dbraw/zinc/87/47/03/572874703.db2.gz VHPOBRRSPJCIDZ-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP C[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2[C@@H]1c1cccs1 257608910 572874759 /nfs/dbraw/zinc/87/47/59/572874759.db2.gz APEJFUJMCMBZRJ-NORCUCSASA-N 2 1 194.303 1.308 10 0 ADAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)F 308155680 572875122 /nfs/dbraw/zinc/87/51/22/572875122.db2.gz TXFSMYYHIWPCMF-GJMOJQLCSA-N 2 1 192.253 1.357 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC1 308161377 572875252 /nfs/dbraw/zinc/87/52/52/572875252.db2.gz AMOUBPFSMUXBDM-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC1 308161377 572875254 /nfs/dbraw/zinc/87/52/54/572875254.db2.gz AMOUBPFSMUXBDM-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@]1(CCC[NH3+])CCC[N@@H+](C)C1 77271768 572875918 /nfs/dbraw/zinc/87/59/18/572875918.db2.gz WVKOGKZGHMKCRE-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CC[C@@]1(CCC[NH3+])CCC[N@@H+](C)C1 77271769 572875314 /nfs/dbraw/zinc/87/53/14/572875314.db2.gz WVKOGKZGHMKCRE-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C 50270746 572875430 /nfs/dbraw/zinc/87/54/30/572875430.db2.gz GWAFGBQBBRAUFK-GHMZBOCLSA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)[NH2+][C@](C)(C[NH3+])C1CC1 50270988 572875469 /nfs/dbraw/zinc/87/54/69/572875469.db2.gz NIBRMUQVGWHVLF-SECBINFHSA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]([NH3+])CC(F)F 308155678 572875552 /nfs/dbraw/zinc/87/55/52/572875552.db2.gz TXFSMYYHIWPCMF-BWZBUEFSSA-N 2 1 192.253 1.357 10 0 ADAEMP C[C@@]([NH3+])(C[NH3+])Cc1ccc(Cl)cc1 235383052 572875613 /nfs/dbraw/zinc/87/56/13/572875613.db2.gz SCVMANJPHLCBGW-JTQLQIEISA-N 2 1 198.697 1.559 10 0 ADAEMP CCC[C@]1(CC[NH3+])CCC[N@@H+](C)C1 77271723 572875735 /nfs/dbraw/zinc/87/57/35/572875735.db2.gz SMPYVTXJJSPFOP-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](CC[NH2+]C)C1 77271811 572875857 /nfs/dbraw/zinc/87/58/57/572875857.db2.gz ABWFQNVNHFNRIP-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)C[C@]1(CC[NH3+])CC[N@@H+](C)C1 77271703 572875875 /nfs/dbraw/zinc/87/58/75/572875875.db2.gz PUBNSAXOOWKQLR-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]CC[C@H]1CC[N@H+](C(C)(C)C)C1 77271814 572875904 /nfs/dbraw/zinc/87/59/04/572875904.db2.gz IMVWOCYYQMWVKB-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)(C)[C@@H]1CNC[C@@H]2CCC[N@H+]21 77270240 572876370 /nfs/dbraw/zinc/87/63/70/572876370.db2.gz LHWIFBPNXGNGDU-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]([NH3+])C(C)(C)C 308162145 572876510 /nfs/dbraw/zinc/87/65/10/572876510.db2.gz XGVNRSPARPVQBS-OPRDCNLKSA-N 2 1 184.327 1.748 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 308158573 572876568 /nfs/dbraw/zinc/87/65/68/572876568.db2.gz VIPGKORRQMQGCI-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]CC[C@@H]1CC[N@H+](C(C)(C)C)C1 77271818 572876569 /nfs/dbraw/zinc/87/65/69/572876569.db2.gz IMVWOCYYQMWVKB-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)C[C@@]1(CC[NH3+])CC[N@@H+](C)C1 77271708 572876748 /nfs/dbraw/zinc/87/67/48/572876748.db2.gz PUBNSAXOOWKQLR-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H](CC[NH2+]C)C1 77271804 572876753 /nfs/dbraw/zinc/87/67/53/572876753.db2.gz ABWFQNVNHFNRIP-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)(C)C 308162143 572876765 /nfs/dbraw/zinc/87/67/65/572876765.db2.gz XGVNRSPARPVQBS-KXUCPTDWSA-N 2 1 184.327 1.748 10 0 ADAEMP C[C@H]1CC[C@H]1[NH2+]C[C@@H]([NH3+])C(C)(C)C 308162141 572876776 /nfs/dbraw/zinc/87/67/76/572876776.db2.gz XGVNRSPARPVQBS-IVZWLZJFSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)(C)[C@H]1CNC[C@H]2CCC[N@@H+]12 77270235 572876804 /nfs/dbraw/zinc/87/68/04/572876804.db2.gz LHWIFBPNXGNGDU-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CCCCCF 308157649 572876842 /nfs/dbraw/zinc/87/68/42/572876842.db2.gz UZXUEZCIGUPAND-SNVBAGLBSA-N 2 1 190.306 1.795 10 0 ADAEMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 308162138 572876877 /nfs/dbraw/zinc/87/68/77/572876877.db2.gz XGVNRSPARPVQBS-BBBLOLIVSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)(C)[C@H]1CNC[C@@H]2CCC[N@H+]21 77270245 572876980 /nfs/dbraw/zinc/87/69/80/572876980.db2.gz LHWIFBPNXGNGDU-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[C@@]1(CC[NH3+])CCC[N@@H+](C)C1 77271729 572877022 /nfs/dbraw/zinc/87/70/22/572877022.db2.gz SMPYVTXJJSPFOP-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP CC(C)(C)[C@@H]1CNC[C@H]2CCC[N@H+]21 77270230 572877113 /nfs/dbraw/zinc/87/71/13/572877113.db2.gz LHWIFBPNXGNGDU-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CCc1c[nH+]cn1[C@H](C)CCC[NH3+] 308158111 572877167 /nfs/dbraw/zinc/87/71/67/572877167.db2.gz VFHOPLQYZHSIPM-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP C[C@H]1CC[C@@H]1[NH2+]C[C@@H]([NH3+])C(C)(C)C 308162144 572877203 /nfs/dbraw/zinc/87/72/03/572877203.db2.gz XGVNRSPARPVQBS-LPEHRKFASA-N 2 1 184.327 1.748 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)[NH+]1CC=CC1 308157310 572877301 /nfs/dbraw/zinc/87/73/01/572877301.db2.gz PLUBEJUAABNVJO-SNVBAGLBSA-N 2 1 168.284 1.102 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CCCCCF 308157647 572877377 /nfs/dbraw/zinc/87/73/77/572877377.db2.gz UZXUEZCIGUPAND-JTQLQIEISA-N 2 1 190.306 1.795 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@@](C)(C[NH2+]C)C1 308158205 572877674 /nfs/dbraw/zinc/87/76/74/572877674.db2.gz UKOARABKCQRLFV-WYGGZMRJSA-N 2 1 182.311 1.494 10 0 ADAEMP CCc1c[nH+]cn1C[C@@H](C)[NH2+]C 307971467 572877933 /nfs/dbraw/zinc/87/79/33/572877933.db2.gz YBCWVCQYDGQTSB-MRVPVSSYSA-N 2 1 167.256 1.053 10 0 ADAEMP C[C@H]1CC[C@@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 308162140 572878182 /nfs/dbraw/zinc/87/81/82/572878182.db2.gz XGVNRSPARPVQBS-GUBZILKMSA-N 2 1 184.327 1.748 10 0 ADAEMP C[C@H]1CC[C@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 308162137 572878281 /nfs/dbraw/zinc/87/82/81/572878281.db2.gz XGVNRSPARPVQBS-AEJSXWLSSA-N 2 1 184.327 1.748 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@](C)(C[NH2+]C)C1 308158204 572878359 /nfs/dbraw/zinc/87/83/59/572878359.db2.gz UKOARABKCQRLFV-DOGVGXBMSA-N 2 1 182.311 1.494 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]([NH3+])C(C)(C)C 308162147 572879280 /nfs/dbraw/zinc/87/92/80/572879280.db2.gz XGVNRSPARPVQBS-UTLUCORTSA-N 2 1 184.327 1.748 10 0 ADAEMP C[N@@H+](Cc1cc(N)cc[nH+]1)CC1CC1 86134543 572880213 /nfs/dbraw/zinc/88/02/13/572880213.db2.gz UIDFMSSUFFGYRD-UHFFFAOYSA-N 2 1 191.278 1.506 10 0 ADAEMP C[N@H+](Cc1cc(N)cc[nH+]1)CC1CC1 86134543 572880219 /nfs/dbraw/zinc/88/02/19/572880219.db2.gz UIDFMSSUFFGYRD-UHFFFAOYSA-N 2 1 191.278 1.506 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(C)=[NH2+] 86190298 572880972 /nfs/dbraw/zinc/88/09/72/572880972.db2.gz XEWDTKXNMDLZSE-SNVBAGLBSA-N 2 1 183.299 1.400 10 0 ADAEMP C[C@@H](C[NH2+]C/C=C\Cl)C[NH+](C)C 307972296 572881178 /nfs/dbraw/zinc/88/11/78/572881178.db2.gz YUFAVUFHJKHAPC-WBSSQXGSSA-N 2 1 190.718 1.526 10 0 ADAEMP CC[N@@H+](C)[C@@H](CN)C1(SC)CC1 307971819 572883222 /nfs/dbraw/zinc/88/32/22/572883222.db2.gz YLIVHPXFGUWCTB-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CCC(=[NH2+])N(C)C[C@@H]1CCC[N@@H+]1CC 86190292 572881364 /nfs/dbraw/zinc/88/13/64/572881364.db2.gz OUEVWKKSHSZAHA-JTQLQIEISA-N 2 1 197.326 1.790 10 0 ADAEMP CCc1cn(CCC[NH3+])c(C(C)C)[nH+]1 75598447 572881395 /nfs/dbraw/zinc/88/13/95/572881395.db2.gz LKKVPKKWKWAXJP-UHFFFAOYSA-N 2 1 195.310 1.918 10 0 ADAEMP CN(C[C@H]1CCC[N@H+]1C)C(=[NH2+])C1CC1 86190284 572881449 /nfs/dbraw/zinc/88/14/49/572881449.db2.gz KAXXAWMJJDUTMX-SNVBAGLBSA-N 2 1 195.310 1.400 10 0 ADAEMP CCCC(=[NH2+])N(C)C[C@@H]1CCC[N@H+]1C 86190268 572881480 /nfs/dbraw/zinc/88/14/80/572881480.db2.gz HZFDCPIKMXUGDA-JTQLQIEISA-N 2 1 197.326 1.790 10 0 ADAEMP CCCC[N@H+]1C[C@H](C)[C@](C)(C[NH3+])C1 308158577 572881688 /nfs/dbraw/zinc/88/16/88/572881688.db2.gz VIPGKORRQMQGCI-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC(=[NH2+])N(C)C[C@H]1CCC[N@H+]1C 86190275 572882253 /nfs/dbraw/zinc/88/22/53/572882253.db2.gz GLHJUPBBQIDIAA-SECBINFHSA-N 2 1 183.299 1.400 10 0 ADAEMP CC(C)C(=[NH2+])N(C)C[C@@H]1CCC[N@H+]1C 86190278 572882318 /nfs/dbraw/zinc/88/23/18/572882318.db2.gz KTBAYOJWIVVUKX-JTQLQIEISA-N 2 1 197.326 1.646 10 0 ADAEMP C[C@H](C[NH2+]C/C=C\Cl)C[NH+](C)C 307972299 572882419 /nfs/dbraw/zinc/88/24/19/572882419.db2.gz YUFAVUFHJKHAPC-XRVBUDJMSA-N 2 1 190.718 1.526 10 0 ADAEMP CC(C)C(=[NH2+])N(C)C[C@H]1CCC[N@H+]1C 86190279 572882449 /nfs/dbraw/zinc/88/24/49/572882449.db2.gz KTBAYOJWIVVUKX-SNVBAGLBSA-N 2 1 197.326 1.646 10 0 ADAEMP CCCC(=[NH2+])N(C)C[C@H]1CCC[N@H+]1C 86190269 572882712 /nfs/dbraw/zinc/88/27/12/572882712.db2.gz HZFDCPIKMXUGDA-SNVBAGLBSA-N 2 1 197.326 1.790 10 0 ADAEMP C[C@H](C[NH2+]C/C=C/Cl)C[NH+](C)C 307972298 572883116 /nfs/dbraw/zinc/88/31/16/572883116.db2.gz YUFAVUFHJKHAPC-XNPJLODASA-N 2 1 190.718 1.526 10 0 ADAEMP CC[N@H+](C)[C@@H](C[NH3+])C1(SC)CC1 307971819 572883227 /nfs/dbraw/zinc/88/32/27/572883227.db2.gz YLIVHPXFGUWCTB-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[N@@H+](C)[C@@H](C[NH3+])C1(SC)CC1 307971819 572883233 /nfs/dbraw/zinc/88/32/33/572883233.db2.gz YLIVHPXFGUWCTB-QMMMGPOBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC(C)[C@]1(C[NH2+]CCF)CC[NH2+]C1 308165561 572883544 /nfs/dbraw/zinc/88/35/44/572883544.db2.gz ZGMHNLSFOXCQTE-SNVBAGLBSA-N 2 1 188.290 1.181 10 0 ADAEMP CCC(=[NH2+])N(C)C[C@H]1CCC[N@@H+]1CC 86190294 572883665 /nfs/dbraw/zinc/88/36/65/572883665.db2.gz OUEVWKKSHSZAHA-SNVBAGLBSA-N 2 1 197.326 1.790 10 0 ADAEMP CCC(=[NH2+])N(C)C[C@@H]1CCC[N@H+]1C 86190271 572883786 /nfs/dbraw/zinc/88/37/86/572883786.db2.gz GLHJUPBBQIDIAA-VIFPVBQESA-N 2 1 183.299 1.400 10 0 ADAEMP CC(C)[C@@]1(C[NH2+]CCF)CC[NH2+]C1 308165557 572883903 /nfs/dbraw/zinc/88/39/03/572883903.db2.gz ZGMHNLSFOXCQTE-JTQLQIEISA-N 2 1 188.290 1.181 10 0 ADAEMP CC[C@H](C)[C@](C)(C[NH3+])[NH2+]C1CC1 307970166 572888051 /nfs/dbraw/zinc/88/80/51/572888051.db2.gz WOHJRBPUEYXWKH-WPRPVWTQSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+](C)C(C)(C)COC 308167765 572885459 /nfs/dbraw/zinc/88/54/59/572885459.db2.gz AJKTWESKKCJGGA-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](C)C(C)(C)COC 308167765 572885465 /nfs/dbraw/zinc/88/54/65/572885465.db2.gz AJKTWESKKCJGGA-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)[C@H](C)C[NH2+]C(C)(C)C[NH3+] 307968969 572885616 /nfs/dbraw/zinc/88/56/16/572885616.db2.gz VMNLNOBTTXDULC-SECBINFHSA-N 2 1 172.316 1.605 10 0 ADAEMP C[NH2+]C1(C[NH2+]CC2CC2)CCC1 307969058 572886103 /nfs/dbraw/zinc/88/61/03/572886103.db2.gz VTULKBGVCHZEIH-UHFFFAOYSA-N 2 1 168.284 1.128 10 0 ADAEMP CC(C)[C@@H](C)C[NH2+]C(C)(C)C[NH3+] 307968971 572886193 /nfs/dbraw/zinc/88/61/93/572886193.db2.gz VMNLNOBTTXDULC-VIFPVBQESA-N 2 1 172.316 1.605 10 0 ADAEMP CC[C@@H](C)[C@@](C)(C[NH3+])[NH2+]C1CC1 307970163 572887156 /nfs/dbraw/zinc/88/71/56/572887156.db2.gz WOHJRBPUEYXWKH-PSASIEDQSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[C@@H](C)[C@](C)(C[NH3+])[NH2+]C1CC1 307970164 572888584 /nfs/dbraw/zinc/88/85/84/572888584.db2.gz WOHJRBPUEYXWKH-SCZZXKLOSA-N 2 1 170.300 1.502 10 0 ADAEMP CCCC[N@@H+](C)CCO[C@@H](C)C[NH3+] 308168652 572888923 /nfs/dbraw/zinc/88/89/23/572888923.db2.gz BSYYAFWHXPOTLG-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[C@H](C)[C@@](C)(C[NH3+])[NH2+]C1CC1 307970165 572889935 /nfs/dbraw/zinc/88/99/35/572889935.db2.gz WOHJRBPUEYXWKH-WCBMZHEXSA-N 2 1 170.300 1.502 10 0 ADAEMP CCCC[N@@H+](C)CCO[C@H](C)C[NH3+] 308168653 572890316 /nfs/dbraw/zinc/89/03/16/572890316.db2.gz BSYYAFWHXPOTLG-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2[NH2+]CCC[C@H]21 257615261 572891243 /nfs/dbraw/zinc/89/12/43/572891243.db2.gz MLMCUMFLHRZNQD-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCSCCn1c[nH+]cc1CC[NH3+] 308163037 572891469 /nfs/dbraw/zinc/89/14/69/572891469.db2.gz XTLOEDXUKNIWCP-UHFFFAOYSA-N 2 1 199.323 1.137 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@@]2(CCC[NH2+]2)C1 257615258 572891511 /nfs/dbraw/zinc/89/15/11/572891511.db2.gz JQVCUNDMMAYXLC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@]2(CCC[NH2+]2)C1 257615258 572891515 /nfs/dbraw/zinc/89/15/15/572891515.db2.gz JQVCUNDMMAYXLC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@H]2CCC[NH2+][C@H]2C1 257615283 572891556 /nfs/dbraw/zinc/89/15/56/572891556.db2.gz ZPIMDBYVOWCXOX-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]CCC[C@H]1CC[N@H+]2CCCC[C@H]12 257615239 572891715 /nfs/dbraw/zinc/89/17/15/572891715.db2.gz CRQKPKOPGAESJB-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CCC[C@@H]1CC[N@H+]2CCCC[C@H]12 257615238 572892321 /nfs/dbraw/zinc/89/23/21/572892321.db2.gz CRQKPKOPGAESJB-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@@]2(CC[NH2+]C2)C1 257615279 572892713 /nfs/dbraw/zinc/89/27/13/572892713.db2.gz ZMRVCCMRCBZPGG-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@@H](C)C[N@@H+](CC)C[C@@H](C)C(N)=[NH2+] 50424925 572892746 /nfs/dbraw/zinc/89/27/46/572892746.db2.gz AKIITGIMTTUTDZ-NXEZZACHSA-N 2 1 199.342 1.926 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@H]2CCC[NH2+][C@@H]2C1 257615281 572892822 /nfs/dbraw/zinc/89/28/22/572892822.db2.gz ZPIMDBYVOWCXOX-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+](C)C[C@@]2(CCC[NH2+]2)C1 257615259 572892840 /nfs/dbraw/zinc/89/28/40/572892840.db2.gz JQVCUNDMMAYXLC-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@@]2(CCC[NH2+]2)C1 257615259 572892844 /nfs/dbraw/zinc/89/28/44/572892844.db2.gz JQVCUNDMMAYXLC-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@]2(CC[NH2+]C2)C1 257615278 572892859 /nfs/dbraw/zinc/89/28/59/572892859.db2.gz ZMRVCCMRCBZPGG-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C1CC[C@]2(CC[NH2+]C2)[C@H]2CCC[N@H+]2C1 257615249 572892973 /nfs/dbraw/zinc/89/29/73/572892973.db2.gz HXIYOOWPMDEVTN-VXGBXAGGSA-N 2 1 194.322 1.614 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@H]2[NH2+]CCC[C@H]21 257615272 572892981 /nfs/dbraw/zinc/89/29/81/572892981.db2.gz XWAWIFPLBVGBJR-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@H]2[NH2+]CCC[C@H]21 257615272 572892985 /nfs/dbraw/zinc/89/29/85/572892985.db2.gz XWAWIFPLBVGBJR-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@@H]2CCC[NH2+][C@H]2C1 257615251 572893073 /nfs/dbraw/zinc/89/30/73/572893073.db2.gz IUNPCPPXVDGZSK-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2CCC[NH2+][C@H]2C1 257615251 572893076 /nfs/dbraw/zinc/89/30/76/572893076.db2.gz IUNPCPPXVDGZSK-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CCC[NH2+][C@H]2C1 257615282 572893431 /nfs/dbraw/zinc/89/34/31/572893431.db2.gz ZPIMDBYVOWCXOX-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@@H]2CCC[NH2+][C@@H]2C1 257615250 572893450 /nfs/dbraw/zinc/89/34/50/572893450.db2.gz IUNPCPPXVDGZSK-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2CCC[NH2+][C@@H]2C1 257615250 572893452 /nfs/dbraw/zinc/89/34/52/572893452.db2.gz IUNPCPPXVDGZSK-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C1CC[C@]2(CC[NH2+]C2)[C@@H]2CCC[N@H+]2C1 257615248 572893884 /nfs/dbraw/zinc/89/38/84/572893884.db2.gz HXIYOOWPMDEVTN-NWDGAFQWSA-N 2 1 194.322 1.614 10 0 ADAEMP C[C@@H]1CC[N@H+](C)C[C@@H]2[NH2+]CCC[C@@H]12 257615273 572893913 /nfs/dbraw/zinc/89/39/13/572893913.db2.gz XWAWIFPLBVGBJR-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2[NH2+]CCC[C@@H]12 257615273 572893917 /nfs/dbraw/zinc/89/39/17/572893917.db2.gz XWAWIFPLBVGBJR-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2[NH2+]CCC[C@@H]21 257615260 572893945 /nfs/dbraw/zinc/89/39/45/572893945.db2.gz MLMCUMFLHRZNQD-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H](C)[C@H](C)C[NH3+] 252593336 572896519 /nfs/dbraw/zinc/89/65/19/572896519.db2.gz FSMBUFZUSQYJLN-MNOVXSKESA-N 2 1 186.343 1.948 10 0 ADAEMP CCCC1(C[NH2+]C(C)(C)C[NH3+])CC1 308176588 572896902 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FLJGFOMQMPJQQK-GUBZILKMSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[C@@H](CC[NH3+])C1 250476272 572898456 /nfs/dbraw/zinc/89/84/56/572898456.db2.gz AMEGGMMNXCXADX-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC1C(C)(C)C1(C)C 86240992 572898578 /nfs/dbraw/zinc/89/85/78/572898578.db2.gz HABCAADWFKVVFY-SECBINFHSA-N 2 1 198.354 1.866 10 0 ADAEMP C[N@H+]1CCC[C@H]2[NH2+]C(C)(C)C[C@@H]2C1 257621697 572899324 /nfs/dbraw/zinc/89/93/24/572899324.db2.gz UKQPXTVZVWEMDK-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC1C(C)(C)C1(C)C 86240991 572898602 /nfs/dbraw/zinc/89/86/02/572898602.db2.gz HABCAADWFKVVFY-VIFPVBQESA-N 2 1 198.354 1.866 10 0 ADAEMP C[NH2+]CC[NH2+]C1C(C)(C)C1(C)C 86241194 572898863 /nfs/dbraw/zinc/89/88/63/572898863.db2.gz XHFKAOSYMWTZFH-UHFFFAOYSA-N 2 1 170.300 1.230 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H](C)[C@H](C)C[NH3+] 252593335 572898945 /nfs/dbraw/zinc/89/89/45/572898945.db2.gz FSMBUFZUSQYJLN-GHMZBOCLSA-N 2 1 186.343 1.948 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C1C(C)(C)C1(C)C 86241110 572899043 /nfs/dbraw/zinc/89/90/43/572899043.db2.gz CQCWKVVUYWTXMA-QMMMGPOBSA-N 2 1 184.327 1.619 10 0 ADAEMP CC[NH2+]CC[NH2+]C1C(C)(C)C1(C)C 86241225 572899094 /nfs/dbraw/zinc/89/90/94/572899094.db2.gz BBFSBVPYXFWRTH-UHFFFAOYSA-N 2 1 184.327 1.620 10 0 ADAEMP C[C@@H]1[C@H]2CC(C)(C)[NH2+][C@H]2CC[N@H+]1C 257621648 572899129 /nfs/dbraw/zinc/89/91/29/572899129.db2.gz ONOXKWDGTMJDRX-BBBLOLIVSA-N 2 1 182.311 1.467 10 0 ADAEMP C/C=C\C[N@@H+](C)[C@H]1CCC[NH2+]CC1 308172759 572899159 /nfs/dbraw/zinc/89/91/59/572899159.db2.gz WYOVLKWMNHQXBJ-BYCRGOAPSA-N 2 1 182.311 1.636 10 0 ADAEMP CC[NH2+]CC[NH2+]CC1C(C)(C)C1(C)C 86241069 572899008 /nfs/dbraw/zinc/89/90/08/572899008.db2.gz ZFOZPQFFKHBHLF-UHFFFAOYSA-N 2 1 198.354 1.868 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@@H](C[NH3+])C[C@H]21 257621680 572899247 /nfs/dbraw/zinc/89/92/47/572899247.db2.gz RRDJHIWQLLCORG-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+](C)[C@@H]2C[C@@H](C)[NH2+][C@@H]2C1 257621557 572899377 /nfs/dbraw/zinc/89/93/77/572899377.db2.gz GQERZZGOEHVJRG-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@@H](C)[NH2+][C@@H]2C1 257621557 572899383 /nfs/dbraw/zinc/89/93/83/572899383.db2.gz GQERZZGOEHVJRG-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP CC1(C)C(C[NH2+]CC[NH3+])C1(C)C 86241014 572899404 /nfs/dbraw/zinc/89/94/04/572899404.db2.gz MCTMXHGSPQLCTE-UHFFFAOYSA-N 2 1 170.300 1.217 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@H](C[NH3+])C[C@@H]21 257621679 572899425 /nfs/dbraw/zinc/89/94/25/572899425.db2.gz RRDJHIWQLLCORG-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP C/C=C\C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 308172760 572899523 /nfs/dbraw/zinc/89/95/23/572899523.db2.gz WYOVLKWMNHQXBJ-DLRQAJBASA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](C)CC[N@@H+](C)C[C@@H]2[NH2+]1 257621613 572899579 /nfs/dbraw/zinc/89/95/79/572899579.db2.gz LLQHZXYNIHRALH-DBIOUOCHSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[C@@H]2[C@H](C)CC[N@H+](C)C[C@@H]2[NH2+]1 257621613 572899581 /nfs/dbraw/zinc/89/95/81/572899581.db2.gz LLQHZXYNIHRALH-DBIOUOCHSA-N 2 1 182.311 1.325 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@@H]2CC[NH2+][C@H]2C1 257621700 572899585 /nfs/dbraw/zinc/89/95/85/572899585.db2.gz UTOKYUPGDUJKGZ-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2CC[NH2+][C@H]2C1 257621700 572899587 /nfs/dbraw/zinc/89/95/87/572899587.db2.gz UTOKYUPGDUJKGZ-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC[C@H]2[NH2+]C(C)(C)C[C@H]2C1 257621698 572899638 /nfs/dbraw/zinc/89/96/38/572899638.db2.gz UKQPXTVZVWEMDK-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@H](C[NH3+])C[C@H]21 257621681 572899689 /nfs/dbraw/zinc/89/96/89/572899689.db2.gz RRDJHIWQLLCORG-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+]1CCC(C)(C)[C@@H]2CC[NH2+][C@@H]2C1 257621699 572899738 /nfs/dbraw/zinc/89/97/38/572899738.db2.gz UTOKYUPGDUJKGZ-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H]2CC[NH2+][C@@H]2C1 257621699 572899740 /nfs/dbraw/zinc/89/97/40/572899740.db2.gz UTOKYUPGDUJKGZ-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@H+](C)[C@@H]2C[C@@H](C)[NH2+][C@H]2C1 257621556 572899791 /nfs/dbraw/zinc/89/97/91/572899791.db2.gz GQERZZGOEHVJRG-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@@H](C)[NH2+][C@H]2C1 257621556 572899794 /nfs/dbraw/zinc/89/97/94/572899794.db2.gz GQERZZGOEHVJRG-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[N@H+]1CC[C@H]2CC(C)(C)[NH2+][C@@H]2CC1 257621729 572900242 /nfs/dbraw/zinc/90/02/42/572900242.db2.gz XTSLLYQXOJNSMQ-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[C@@H]2CC(C)(C)[NH2+][C@H]2CC[N@H+]1C 257621649 572899873 /nfs/dbraw/zinc/89/98/73/572899873.db2.gz ONOXKWDGTMJDRX-UTLUCORTSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C1C(C)(C)C1(C)C 86241111 572899971 /nfs/dbraw/zinc/89/99/71/572899971.db2.gz CQCWKVVUYWTXMA-MRVPVSSYSA-N 2 1 184.327 1.619 10 0 ADAEMP C[NH2+]CC[NH2+]CC1C(C)(C)C1(C)C 86241050 572900006 /nfs/dbraw/zinc/90/00/06/572900006.db2.gz GSZGPWCHAUFAMA-UHFFFAOYSA-N 2 1 184.327 1.478 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@H]([NH3+])CC[C@@H]21 257621624 572900008 /nfs/dbraw/zinc/90/00/08/572900008.db2.gz MOEFDOJYJNSBGG-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+]1CCC(C)(C)C[C@@H]2[NH2+]CC[C@H]21 257621750 572900130 /nfs/dbraw/zinc/90/01/30/572900130.db2.gz ZFXOJDZYYNTKNL-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2[NH2+]CC[C@H]21 257621750 572900132 /nfs/dbraw/zinc/90/01/32/572900132.db2.gz ZFXOJDZYYNTKNL-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@H]([NH3+])C[C@H]12 257621637 572900178 /nfs/dbraw/zinc/90/01/78/572900178.db2.gz NDLFVJBPTUPRHD-VPOLOUISSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@H]2[C@@H](C[N@H+](C)CC[C@H]2C)[NH2+]1 257621614 572900273 /nfs/dbraw/zinc/90/02/73/572900273.db2.gz LLQHZXYNIHRALH-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[C@H]2[C@@H](C[N@@H+](C)CC[C@H]2C)[NH2+]1 257621614 572900275 /nfs/dbraw/zinc/90/02/75/572900275.db2.gz LLQHZXYNIHRALH-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@H]([NH3+])CC[C@H]21 257621622 572900282 /nfs/dbraw/zinc/90/02/82/572900282.db2.gz MOEFDOJYJNSBGG-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@H]2[C@H](C[C@H](C)CC[N@@H+]2C)[NH2+]1 257621559 572900304 /nfs/dbraw/zinc/90/03/04/572900304.db2.gz GQERZZGOEHVJRG-VPOLOUISSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1C[C@@H]2[C@H](C[C@H](C)CC[N@H+]2C)[NH2+]1 257621559 572900305 /nfs/dbraw/zinc/90/03/05/572900305.db2.gz GQERZZGOEHVJRG-VPOLOUISSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@@H]([NH3+])C[C@@H]12 257621638 572900325 /nfs/dbraw/zinc/90/03/25/572900325.db2.gz NDLFVJBPTUPRHD-YTWAJWBKSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@@H]([NH3+])C[C@H]2C1 257621534 572900340 /nfs/dbraw/zinc/90/03/40/572900340.db2.gz DUJWJJPEQAKTFU-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP C[N@H+]1CC[C@@H]2CC(C)(C)[NH2+][C@@H]2CC1 257621728 572900392 /nfs/dbraw/zinc/90/03/92/572900392.db2.gz XTSLLYQXOJNSMQ-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@H]2[NH2+][C@H](C)C[C@H]12 257621615 572900398 /nfs/dbraw/zinc/90/03/98/572900398.db2.gz LLQHZXYNIHRALH-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[N@H+](C)C[C@H]2[NH2+][C@H](C)C[C@H]12 257621615 572900399 /nfs/dbraw/zinc/90/03/99/572900399.db2.gz LLQHZXYNIHRALH-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[N@@H+](C)C[C@@H]2[NH2+][C@H](C)C[C@H]12 257621617 572900500 /nfs/dbraw/zinc/90/05/00/572900500.db2.gz LLQHZXYNIHRALH-ZDCRXTMVSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[N@H+](C)C[C@@H]2[NH2+][C@H](C)C[C@H]12 257621617 572900503 /nfs/dbraw/zinc/90/05/03/572900503.db2.gz LLQHZXYNIHRALH-ZDCRXTMVSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC1(C)C 235395196 572900723 /nfs/dbraw/zinc/90/07/23/572900723.db2.gz XPSAYRHZLRCMAD-VWYCJHECSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]CC[C@H]1C=CCC1 308172959 572900776 /nfs/dbraw/zinc/90/07/76/572900776.db2.gz DEAMUCRBPBSIOY-JTQLQIEISA-N 2 1 182.311 1.670 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[C@@H]([NH3+])CC[C@H]21 257621626 572900912 /nfs/dbraw/zinc/90/09/12/572900912.db2.gz MOEFDOJYJNSBGG-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP CCCC[N@@H+](C)CCCOCC[NH3+] 308172976 572900982 /nfs/dbraw/zinc/90/09/82/572900982.db2.gz DFEROTDUIJEWIS-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 257621537 572901052 /nfs/dbraw/zinc/90/10/52/572901052.db2.gz DUJWJJPEQAKTFU-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)CC[C@H]1CCC[NH3+] 257621506 572901107 /nfs/dbraw/zinc/90/11/07/572901107.db2.gz ACCJTDMHYWZNHT-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@@H+]1CCC(C)(C)C[C@@H]2[NH2+]CC[C@@H]21 257621749 572901125 /nfs/dbraw/zinc/90/11/25/572901125.db2.gz ZFXOJDZYYNTKNL-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2[NH2+]CC[C@@H]21 257621749 572901128 /nfs/dbraw/zinc/90/11/28/572901128.db2.gz ZFXOJDZYYNTKNL-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)C[C@@H]2C[C@@H]([NH3+])C[C@H]12 257621635 572901134 /nfs/dbraw/zinc/90/11/34/572901134.db2.gz NDLFVJBPTUPRHD-LMLFDSFASA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@H]1CC[N@@H+](C)CC[C@H]1CCC[NH3+] 257621507 572901177 /nfs/dbraw/zinc/90/11/77/572901177.db2.gz ACCJTDMHYWZNHT-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2C[C@H]([NH3+])C[C@H]2C1 257621536 572901202 /nfs/dbraw/zinc/90/12/02/572901202.db2.gz DUJWJJPEQAKTFU-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[N@@H+](CC1CC1)CC(C)(C)CC[NH3+] 308181430 572901341 /nfs/dbraw/zinc/90/13/41/572901341.db2.gz HLCLBDITYBAYLB-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H](C[C@H]1CCCC[NH2+]1)[NH2+]CCF 308173963 572902331 /nfs/dbraw/zinc/90/23/31/572902331.db2.gz DQNFJGAJCLLDNV-NXEZZACHSA-N 2 1 188.290 1.466 10 0 ADAEMP C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CCF 308173967 572902228 /nfs/dbraw/zinc/90/22/28/572902228.db2.gz DQNFJGAJCLLDNV-UWVGGRQHSA-N 2 1 188.290 1.466 10 0 ADAEMP CC(C)c1ncc2n1CC[N@H+](C)C2 75839112 572902249 /nfs/dbraw/zinc/90/22/49/572902249.db2.gz OCMVKKHWORRUGR-UHFFFAOYSA-N 2 1 179.267 1.452 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)CC1CCC1 86273088 572902491 /nfs/dbraw/zinc/90/24/91/572902491.db2.gz MPILFPHDUUHJLR-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272579 572902545 /nfs/dbraw/zinc/90/25/45/572902545.db2.gz PBNOFZYTQSZZRT-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)c1c[nH]c(CC[C@@H](C)[NH3+])[nH+]1 86276542 572902556 /nfs/dbraw/zinc/90/25/56/572902556.db2.gz WLVSTMAUWGWABK-MRVPVSSYSA-N 2 1 181.283 1.813 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+](C)[C@@H](C)C1CC1 86272638 572902700 /nfs/dbraw/zinc/90/27/00/572902700.db2.gz HXYKQYNNJQGDOB-JBLDHEPKSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]CCF 308173971 572902719 /nfs/dbraw/zinc/90/27/19/572902719.db2.gz DQNFJGAJCLLDNV-VHSXEESVSA-N 2 1 188.290 1.466 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 250483835 572902915 /nfs/dbraw/zinc/90/29/15/572902915.db2.gz DHHNCMOIWAXKRF-QWRGUYRKSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[C@H](C1)[NH2+]CC2(C)C 250483835 572902918 /nfs/dbraw/zinc/90/29/18/572902918.db2.gz DHHNCMOIWAXKRF-QWRGUYRKSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272812 572902921 /nfs/dbraw/zinc/90/29/21/572902921.db2.gz BTONQFJCRLRXTA-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272491 572902931 /nfs/dbraw/zinc/90/29/31/572902931.db2.gz OSHHDJNSTWEUME-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272642 572903034 /nfs/dbraw/zinc/90/30/34/572903034.db2.gz BMEKBVMFJJNIIQ-SDDRHHMPSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@H+]1CCC[C@@H](C)C1 87989163 572903072 /nfs/dbraw/zinc/90/30/72/572903072.db2.gz CEEMPFGVWQKWMT-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)CC(C)(C)C 86273004 572903305 /nfs/dbraw/zinc/90/33/05/572903305.db2.gz QGAJDOVWSKPUSY-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1CC[C@@H](C)C[NH3+] 87989135 572903088 /nfs/dbraw/zinc/90/30/88/572903088.db2.gz MOLPAEHOYGMKIO-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272581 572903169 /nfs/dbraw/zinc/90/31/69/572903169.db2.gz PBNOFZYTQSZZRT-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]Cc1ccco1 86272721 572903154 /nfs/dbraw/zinc/90/31/54/572903154.db2.gz CVCPJWFKIYKCHH-NXEZZACHSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)CC(C)(C)C 86273005 572903178 /nfs/dbraw/zinc/90/31/78/572903178.db2.gz QGAJDOVWSKPUSY-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@H+]1CCCC[C@H]1C 87989134 572903349 /nfs/dbraw/zinc/90/33/49/572903349.db2.gz MOLPAEHOYGMKIO-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272810 572903350 /nfs/dbraw/zinc/90/33/50/572903350.db2.gz BTONQFJCRLRXTA-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+][C@@H]1C 86273206 572903389 /nfs/dbraw/zinc/90/33/89/572903389.db2.gz SOZHBBHFOQAJGA-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)CC1CC1 86272687 572903441 /nfs/dbraw/zinc/90/34/41/572903441.db2.gz RPQWAWRESUTCKR-KOLCDFICSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2[C@H](C1)[NH2+]CC2(C)C 250483833 572903570 /nfs/dbraw/zinc/90/35/70/572903570.db2.gz DHHNCMOIWAXKRF-MNOVXSKESA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[C@H](C1)[NH2+]CC2(C)C 250483833 572903571 /nfs/dbraw/zinc/90/35/71/572903571.db2.gz DHHNCMOIWAXKRF-MNOVXSKESA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)CC(C)(C)C 86273003 572903580 /nfs/dbraw/zinc/90/35/80/572903580.db2.gz QGAJDOVWSKPUSY-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]Cc1ccco1 86272722 572904027 /nfs/dbraw/zinc/90/40/27/572904027.db2.gz CVCPJWFKIYKCHH-VHSXEESVSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86273202 572904068 /nfs/dbraw/zinc/90/40/68/572904068.db2.gz PFWXTZOYDLXLTJ-WISYIIOYSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272577 572904079 /nfs/dbraw/zinc/90/40/79/572904079.db2.gz UVGAXDUIACQTOL-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272639 572904139 /nfs/dbraw/zinc/90/41/39/572904139.db2.gz BMEKBVMFJJNIIQ-WOPDTQHZSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)CC1CC1 86272690 572904200 /nfs/dbraw/zinc/90/42/00/572904200.db2.gz RPQWAWRESUTCKR-GXSJLCMTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 86272557 572904287 /nfs/dbraw/zinc/90/42/87/572904287.db2.gz SHIICYNZEYUJOZ-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272584 572904348 /nfs/dbraw/zinc/90/43/48/572904348.db2.gz SBCAOCQBGRZQAY-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272582 572904387 /nfs/dbraw/zinc/90/43/87/572904387.db2.gz PBNOFZYTQSZZRT-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+][C@@H]1C 86273207 572904403 /nfs/dbraw/zinc/90/44/03/572904403.db2.gz SOZHBBHFOQAJGA-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272640 572904424 /nfs/dbraw/zinc/90/44/24/572904424.db2.gz BMEKBVMFJJNIIQ-SRVKXCTJSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)c1c[nH]c(CC[C@H](C)[NH3+])[nH+]1 86276543 572904502 /nfs/dbraw/zinc/90/45/02/572904502.db2.gz WLVSTMAUWGWABK-QMMMGPOBSA-N 2 1 181.283 1.813 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[NH2+]Cc1ccco1 86272719 572904654 /nfs/dbraw/zinc/90/46/54/572904654.db2.gz CVCPJWFKIYKCHH-ZJUUUORDSA-N 2 1 194.278 1.367 10 0 ADAEMP CCSC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] 308178183 572904725 /nfs/dbraw/zinc/90/47/25/572904725.db2.gz DSNVZWXWKVPQSI-IUCAKERBSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] 308178183 572904729 /nfs/dbraw/zinc/90/47/29/572904729.db2.gz DSNVZWXWKVPQSI-IUCAKERBSA-N 2 1 190.356 1.407 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[NH2+][C@@H]1C)C(C)C 86272564 572904747 /nfs/dbraw/zinc/90/47/47/572904747.db2.gz ARHPJGKGSQSURM-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272492 572904893 /nfs/dbraw/zinc/90/48/93/572904893.db2.gz OSHHDJNSTWEUME-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)CC1CCC1 86273087 572904936 /nfs/dbraw/zinc/90/49/36/572904936.db2.gz MPILFPHDUUHJLR-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272811 572905148 /nfs/dbraw/zinc/90/51/48/572905148.db2.gz BTONQFJCRLRXTA-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)CC1CCC1 86273085 572905006 /nfs/dbraw/zinc/90/50/06/572905006.db2.gz MPILFPHDUUHJLR-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCSC[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] 308178184 572905042 /nfs/dbraw/zinc/90/50/42/572905042.db2.gz DSNVZWXWKVPQSI-RKDXNWHRSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 308178184 572905046 /nfs/dbraw/zinc/90/50/46/572905046.db2.gz DSNVZWXWKVPQSI-RKDXNWHRSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] 308178179 572905069 /nfs/dbraw/zinc/90/50/69/572905069.db2.gz DSNVZWXWKVPQSI-BDAKNGLRSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 308178179 572905071 /nfs/dbraw/zinc/90/50/71/572905071.db2.gz DSNVZWXWKVPQSI-BDAKNGLRSA-N 2 1 190.356 1.407 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272580 572905160 /nfs/dbraw/zinc/90/51/60/572905160.db2.gz PBNOFZYTQSZZRT-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272592 572905201 /nfs/dbraw/zinc/90/52/01/572905201.db2.gz DUAUQHOIRFIDIF-TUAOUCFPSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1CC[NH2+][C@@H]1C 86272571 572905239 /nfs/dbraw/zinc/90/52/39/572905239.db2.gz SYCGHDZSOASBSP-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](C[C@H]1CC[NH2+][C@@H]1C)C1CC1 86272576 572905299 /nfs/dbraw/zinc/90/52/99/572905299.db2.gz LSQNIXUKYOFELH-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H]1C)C1CC1 86272575 572905308 /nfs/dbraw/zinc/90/53/08/572905308.db2.gz LSQNIXUKYOFELH-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[NH2+][C@@H]1C)C1CC1 86272558 572905321 /nfs/dbraw/zinc/90/53/21/572905321.db2.gz SHIICYNZEYUJOZ-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@H]1CC[NH2+][C@@H]1C 86272586 572905343 /nfs/dbraw/zinc/90/53/43/572905343.db2.gz JRLQADGXECJGDO-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)CC1CC1 86272688 572905396 /nfs/dbraw/zinc/90/53/96/572905396.db2.gz RPQWAWRESUTCKR-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1CC[NH2+][C@@H]1C 86272572 572905405 /nfs/dbraw/zinc/90/54/05/572905405.db2.gz SYCGHDZSOASBSP-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)CC(C)(C)C 86273006 572905422 /nfs/dbraw/zinc/90/54/22/572905422.db2.gz QGAJDOVWSKPUSY-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+][C@@H]1C 86272585 572905443 /nfs/dbraw/zinc/90/54/43/572905443.db2.gz JRLQADGXECJGDO-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC[N@@H+](C)[C@H](C)[C@H](C)C[NH2+]C 252598669 572905508 /nfs/dbraw/zinc/90/55/08/572905508.db2.gz KBYZAHCNUQINIW-GHMZBOCLSA-N 2 1 186.343 1.962 10 0 ADAEMP CCSC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] 308178181 572905661 /nfs/dbraw/zinc/90/56/61/572905661.db2.gz DSNVZWXWKVPQSI-DTWKUNHWSA-N 2 1 190.356 1.407 10 0 ADAEMP CCSC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] 308178181 572905663 /nfs/dbraw/zinc/90/56/63/572905663.db2.gz DSNVZWXWKVPQSI-DTWKUNHWSA-N 2 1 190.356 1.407 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H]1C 86272641 572905713 /nfs/dbraw/zinc/90/57/13/572905713.db2.gz BMEKBVMFJJNIIQ-GRYCIOLGSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)(C)n1cc[nH+]c1CCC[NH3+] 75845701 572905720 /nfs/dbraw/zinc/90/57/20/572905720.db2.gz RQPLRNBSKSXFHR-UHFFFAOYSA-N 2 1 181.283 1.529 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@H+](C)[C@@H](C)C1CC1 86272636 572905728 /nfs/dbraw/zinc/90/57/28/572905728.db2.gz HXYKQYNNJQGDOB-NHCYSSNCSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](C)[C@H](C)C[NH2+]C 252598670 572905730 /nfs/dbraw/zinc/90/57/30/572905730.db2.gz KBYZAHCNUQINIW-MNOVXSKESA-N 2 1 186.343 1.962 10 0 ADAEMP Cc1[nH+]cc(CC[NH2+]C2CC2)n1C 308180452 572906136 /nfs/dbraw/zinc/90/61/36/572906136.db2.gz HAJDQZJJIZHCQS-UHFFFAOYSA-N 2 1 179.267 1.023 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[NH2+]CC(C)(C)[C@H]2C1 250514146 572909737 /nfs/dbraw/zinc/90/97/37/572909737.db2.gz PSZTVBJUGYEFQB-QWRGUYRKSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](C)[C@@H]1C 50565081 572906666 /nfs/dbraw/zinc/90/66/66/572906666.db2.gz RETXQXKRZJVWMG-LPEHRKFASA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H](C)[C@@H]1C 50565081 572906669 /nfs/dbraw/zinc/90/66/69/572906669.db2.gz RETXQXKRZJVWMG-LPEHRKFASA-N 2 1 197.326 1.821 10 0 ADAEMP CC(C)[N@H+]1C[C@H]([NH3+])C[C@@H](CC2CC2)C1 250508470 572910254 /nfs/dbraw/zinc/91/02/54/572910254.db2.gz OAWSEKSFADGLNK-VXGBXAGGSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCC[C@@H](C)[C@H]1C 50563642 572906883 /nfs/dbraw/zinc/90/68/83/572906883.db2.gz MWQPLRFGYDYTGP-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](CC(C)C)C[C@H](C)C[NH3+] 308180594 572906898 /nfs/dbraw/zinc/90/68/98/572906898.db2.gz CFMONPCARBXLIA-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCC(N)=[NH2+])[C@@H]1C 50565066 572906952 /nfs/dbraw/zinc/90/69/52/572906952.db2.gz UZDZCYGHSVCKJP-RKDXNWHRSA-N 2 1 183.299 1.433 10 0 ADAEMP CC(C)[NH2+]CC(C)(C)C[NH+]1CCC1 308180493 572907143 /nfs/dbraw/zinc/90/71/43/572907143.db2.gz CBGGHSFAKQIWPY-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCC(N)=[NH2+])[C@@H]1C 50565067 572907157 /nfs/dbraw/zinc/90/71/57/572907157.db2.gz UZDZCYGHSVCKJP-DTWKUNHWSA-N 2 1 183.299 1.433 10 0 ADAEMP CC(C)[NH2+]C(C[NH3+])(C1CC1)C1CC1 308183000 572907223 /nfs/dbraw/zinc/90/72/23/572907223.db2.gz DJKCRXSMZWUXNV-UHFFFAOYSA-N 2 1 182.311 1.502 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@@H](C)[C@H]1C 50565072 572907621 /nfs/dbraw/zinc/90/76/21/572907621.db2.gz UPGRSBPGQQDVIW-KXUCPTDWSA-N 2 1 197.326 1.821 10 0 ADAEMP CCC[N@@H+](CC(C)C)C[C@@H](C)C[NH3+] 308180597 572907686 /nfs/dbraw/zinc/90/76/86/572907686.db2.gz CFMONPCARBXLIA-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CC(C)[N@@H+](C1CC1)[C@H]1CC[C@@H](C[NH3+])C1 250503432 572907779 /nfs/dbraw/zinc/90/77/79/572907779.db2.gz MEZGQQYLFHIFTQ-PWSUYJOCSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[N@@H+](C1CC1)[C@H]1CC[C@@H]([NH3+])C1 250512183 572908280 /nfs/dbraw/zinc/90/82/80/572908280.db2.gz PESIPKYSJYSNSM-KOLCDFICSA-N 2 1 182.311 1.739 10 0 ADAEMP CC1(C[NH2+]C[C@H]([NH3+])CC(F)F)CC1 308184620 572908313 /nfs/dbraw/zinc/90/83/13/572908313.db2.gz DYKPEFCRNWRIBU-SSDOTTSWSA-N 2 1 192.253 1.359 10 0 ADAEMP CC(C)[N@@H+](C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 250512188 572908708 /nfs/dbraw/zinc/90/87/08/572908708.db2.gz PESIPKYSJYSNSM-MWLCHTKSSA-N 2 1 182.311 1.739 10 0 ADAEMP CC[N@@H+](CCC[NH3+])CCCCCF 308184097 572908734 /nfs/dbraw/zinc/90/87/34/572908734.db2.gz ISJQGDBKFBVUSP-UHFFFAOYSA-N 2 1 190.306 1.797 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[NH2+]CC(C)(C)[C@H]2C1 250514148 572909064 /nfs/dbraw/zinc/90/90/64/572909064.db2.gz PSZTVBJUGYEFQB-WDEREUQCSA-N 2 1 196.338 1.715 10 0 ADAEMP CC1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CC1 308184624 572909103 /nfs/dbraw/zinc/90/91/03/572909103.db2.gz DYKPEFCRNWRIBU-ZETCQYMHSA-N 2 1 192.253 1.359 10 0 ADAEMP CC(C)[N@@H+]1C[C@@H](CC2CC2)C[C@@H]([NH3+])C1 250508467 572909318 /nfs/dbraw/zinc/90/93/18/572909318.db2.gz OAWSEKSFADGLNK-NWDGAFQWSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@@H+]1C[C@@H]([NH3+])C[C@H]1CC1CCC1 250500376 572909555 /nfs/dbraw/zinc/90/95/55/572909555.db2.gz KYINMDBGSXLLGW-NWDGAFQWSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]([NH3+])C[C@H]1CC1CCC1 250500376 572909558 /nfs/dbraw/zinc/90/95/58/572909558.db2.gz KYINMDBGSXLLGW-NWDGAFQWSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)C[NH3+] 86310968 572909762 /nfs/dbraw/zinc/90/97/62/572909762.db2.gz OBKPPVZRVWLNCL-GARJFASQSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](CC[NH2+]C)C1 257624157 572909791 /nfs/dbraw/zinc/90/97/91/572909791.db2.gz ABWFQNVNHFNRIP-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[N@@H+]1C[C@H]([NH3+])C[C@H]1CC1CCC1 250500378 572909911 /nfs/dbraw/zinc/90/99/11/572909911.db2.gz KYINMDBGSXLLGW-VXGBXAGGSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[N@H+]1C[C@H]([NH3+])C[C@H]1CC1CCC1 250500378 572909914 /nfs/dbraw/zinc/90/99/14/572909914.db2.gz KYINMDBGSXLLGW-VXGBXAGGSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H](CC[NH2+]C)C1 257624156 572909994 /nfs/dbraw/zinc/90/99/94/572909994.db2.gz ABWFQNVNHFNRIP-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CCC[C@H](C)C1 86311141 572910077 /nfs/dbraw/zinc/91/00/77/572910077.db2.gz OTLAAMDDBMDNSS-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[N@@H+](C1CC1)[C@@H]1CC[C@@H](C[NH3+])C1 250503435 572910278 /nfs/dbraw/zinc/91/02/78/572910278.db2.gz MEZGQQYLFHIFTQ-ZYHUDNBSSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 86310977 572910360 /nfs/dbraw/zinc/91/03/60/572910360.db2.gz MFIKJMLBWRTFMI-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CCC[C@H]1C 86310976 572910379 /nfs/dbraw/zinc/91/03/79/572910379.db2.gz MFIKJMLBWRTFMI-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C[NH3+])CC[N@@H+](C)C(C)C 87998721 572910919 /nfs/dbraw/zinc/91/09/19/572910919.db2.gz GLSOAIMXCRMEEI-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](C)C1 86311140 572911326 /nfs/dbraw/zinc/91/13/26/572911326.db2.gz OTLAAMDDBMDNSS-WOPDTQHZSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]C[C@H]1CC1(C)C 308182761 572911330 /nfs/dbraw/zinc/91/13/30/572911330.db2.gz IBIOTCMKKGRISN-MWLCHTKSSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@@H](C[NH3+])CC[N@@H+](C)C(C)C 87998722 572911345 /nfs/dbraw/zinc/91/13/45/572911345.db2.gz GLSOAIMXCRMEEI-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)[N@H+](C)CC[C@H](C)C[NH3+] 87998720 572911419 /nfs/dbraw/zinc/91/14/19/572911419.db2.gz GLYDAHHXZAMORZ-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C 86311218 572911463 /nfs/dbraw/zinc/91/14/63/572911463.db2.gz KBYZAHCNUQINIW-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP CC(C)[N@H+](C)CC[C@@H](C)C[NH3+] 87998719 572911555 /nfs/dbraw/zinc/91/15/55/572911555.db2.gz GLYDAHHXZAMORZ-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]CCCF)CC1 308181978 572911566 /nfs/dbraw/zinc/91/15/66/572911566.db2.gz HSXUOWQUVUSUBN-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]C[C@@H]1CC1(C)C 308182765 572911602 /nfs/dbraw/zinc/91/16/02/572911602.db2.gz IBIOTCMKKGRISN-ONGXEEELSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](C)CC(C)(C)C 87999385 572911645 /nfs/dbraw/zinc/91/16/45/572911645.db2.gz QYOQLYJQXTUHGB-JTQLQIEISA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)CC(C)(C)C 87999386 572911680 /nfs/dbraw/zinc/91/16/80/572911680.db2.gz QYOQLYJQXTUHGB-SNVBAGLBSA-N 2 1 186.343 1.949 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H]1C 86312625 572911963 /nfs/dbraw/zinc/91/19/63/572911963.db2.gz UGINRNLKVMNYAS-FIQHERPVSA-N 2 1 198.354 1.818 10 0 ADAEMP CCC[N@H+](C1CC1)[C@H](C)[C@@H](C)C[NH3+] 86311555 572911700 /nfs/dbraw/zinc/91/17/00/572911700.db2.gz WXHUZSITAZCNEO-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)n1c[nH+]c(C)c1C 86313141 572911743 /nfs/dbraw/zinc/91/17/43/572911743.db2.gz DGSBXFGQHVDQOJ-WCBMZHEXSA-N 2 1 195.310 1.916 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[C@@H](C)[N@@H+](C)C1CC1 86311496 572911752 /nfs/dbraw/zinc/91/17/52/572911752.db2.gz JJZGTCPXLMQNSY-VHSXEESVSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C(C)C 86311254 572911831 /nfs/dbraw/zinc/91/18/31/572911831.db2.gz SRKFTMKQKKRKQI-UWVGGRQHSA-N 2 1 172.316 1.571 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)Cc1ccoc1 86312207 572911881 /nfs/dbraw/zinc/91/18/81/572911881.db2.gz VPUOXCINYNXDST-ZJUUUORDSA-N 2 1 196.294 1.695 10 0 ADAEMP CCCC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C 86311219 572911890 /nfs/dbraw/zinc/91/18/90/572911890.db2.gz KBYZAHCNUQINIW-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH3+] 86313138 572911907 /nfs/dbraw/zinc/91/19/07/572911907.db2.gz HFVPPFXUWFGIIY-BDAKNGLRSA-N 2 1 181.283 1.601 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 86312644 572911950 /nfs/dbraw/zinc/91/19/50/572911950.db2.gz NTESTWWRMDIVIG-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)CC1CCC1 86312376 572911984 /nfs/dbraw/zinc/91/19/84/572911984.db2.gz GDDZJLSPZFRZHS-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]CCCF)CC1 308181979 572911989 /nfs/dbraw/zinc/91/19/89/572911989.db2.gz HSXUOWQUVUSUBN-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)CC(C)(C)C 86312266 572911992 /nfs/dbraw/zinc/91/19/92/572911992.db2.gz AMYZRSBIROALGU-VHSXEESVSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@H](C)[C@@H](C)C[NH3+] 86311567 572911999 /nfs/dbraw/zinc/91/19/99/572911999.db2.gz DUKIFJKYZFOXIC-WDEREUQCSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]C[C@H]1CC1(C)C 308182757 572912003 /nfs/dbraw/zinc/91/20/03/572912003.db2.gz IBIOTCMKKGRISN-KOLCDFICSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)Cc1ccco1 86311688 572912015 /nfs/dbraw/zinc/91/20/15/572912015.db2.gz HSVKKULBVQBUNB-VHSXEESVSA-N 2 1 196.294 1.695 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@@H](C)[C@@H](C)C[NH3+] 86311566 572912031 /nfs/dbraw/zinc/91/20/31/572912031.db2.gz DUKIFJKYZFOXIC-QWRGUYRKSA-N 2 1 186.343 1.948 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86312216 572912092 /nfs/dbraw/zinc/91/20/92/572912092.db2.gz FSMBUFZUSQYJLN-QWRGUYRKSA-N 2 1 186.343 1.948 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H]1C 86312626 572912108 /nfs/dbraw/zinc/91/21/08/572912108.db2.gz UGINRNLKVMNYAS-RHYQMDGZSA-N 2 1 198.354 1.818 10 0 ADAEMP C[C@H](C[NH2+]C1CC1)[C@@H](C)[N@@H+](C)C1CC1 86311497 572912123 /nfs/dbraw/zinc/91/21/23/572912123.db2.gz JJZGTCPXLMQNSY-NXEZZACHSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CC(C)C 86311612 572912135 /nfs/dbraw/zinc/91/21/35/572912135.db2.gz ZJGMJNSQVAULJA-QWRGUYRKSA-N 2 1 186.343 1.818 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86312217 572912224 /nfs/dbraw/zinc/91/22/24/572912224.db2.gz FSMBUFZUSQYJLN-WDEREUQCSA-N 2 1 186.343 1.948 10 0 ADAEMP CCC[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CC 86311503 572912236 /nfs/dbraw/zinc/91/22/36/572912236.db2.gz DMEBUJDCRSWMMT-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]C[C@@H]1CC1(C)C 308182404 572912297 /nfs/dbraw/zinc/91/22/97/572912297.db2.gz IBIOTCMKKGRISN-GXSJLCMTSA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C1CC1 86311483 572912310 /nfs/dbraw/zinc/91/23/10/572912310.db2.gz KXKFMLZRRCGWSR-BDAKNGLRSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 86312624 572912356 /nfs/dbraw/zinc/91/23/56/572912356.db2.gz UGINRNLKVMNYAS-NOOOWODRSA-N 2 1 198.354 1.818 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C 86311447 572912390 /nfs/dbraw/zinc/91/23/90/572912390.db2.gz XATZKQGIJPUJFA-VHSXEESVSA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)n1c[nH+]c(C)c1C 86313140 572912417 /nfs/dbraw/zinc/91/24/17/572912417.db2.gz DGSBXFGQHVDQOJ-WPRPVWTQSA-N 2 1 195.310 1.916 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C1CC1 86311482 572912444 /nfs/dbraw/zinc/91/24/44/572912444.db2.gz KXKFMLZRRCGWSR-IUCAKERBSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)CC1CCC1 86312371 572912474 /nfs/dbraw/zinc/91/24/74/572912474.db2.gz DVXPGJRBIHYVIZ-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)[C@@H](C)C[NH3+] 86313165 572912559 /nfs/dbraw/zinc/91/25/59/572912559.db2.gz GIFIURXIEMAIGJ-VHSXEESVSA-N 2 1 195.310 1.991 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@@H](C)C[NH3+] 86313136 572912571 /nfs/dbraw/zinc/91/25/71/572912571.db2.gz HFVPPFXUWFGIIY-IUCAKERBSA-N 2 1 181.283 1.601 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311452 572912575 /nfs/dbraw/zinc/91/25/75/572912575.db2.gz RYUPLYQFKHMVGJ-IUCAKERBSA-N 2 1 158.289 1.312 10 0 ADAEMP C[C@H]1CC[N@H+](CC[C@@H](C)C[NH3+])C1 87999028 572912579 /nfs/dbraw/zinc/91/25/79/572912579.db2.gz RQZMOLUHVDJGSG-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)CC1CC1 86311914 572912584 /nfs/dbraw/zinc/91/25/84/572912584.db2.gz VRAZUTQDYICTCV-DTWKUNHWSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](C)CC1CCC1 87999527 572912600 /nfs/dbraw/zinc/91/26/00/572912600.db2.gz FLDRWXYMFQDHNV-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)CC(C)(C)C 86312268 572912601 /nfs/dbraw/zinc/91/26/01/572912601.db2.gz AMYZRSBIROALGU-UWVGGRQHSA-N 2 1 186.343 1.948 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)[C@@H](C)C[NH3+] 86311542 572912608 /nfs/dbraw/zinc/91/26/08/572912608.db2.gz YMIUXRGCQGMCFD-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC(C)CC[N@@H+](C)CC[C@@H](C)C[NH3+] 87999087 572912656 /nfs/dbraw/zinc/91/26/56/572912656.db2.gz UUYBMVVBHYDLPW-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)[C@@H](C)C[NH3+] 86313164 572912670 /nfs/dbraw/zinc/91/26/70/572912670.db2.gz GIFIURXIEMAIGJ-UWVGGRQHSA-N 2 1 195.310 1.991 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)C[NH2+]C 86311519 572912674 /nfs/dbraw/zinc/91/26/74/572912674.db2.gz XUXFZKNQYFGFAC-WDEREUQCSA-N 2 1 186.343 1.961 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](CC1CC1)C1CC1 86312722 572912681 /nfs/dbraw/zinc/91/26/81/572912681.db2.gz DHFSLVCVCFJDOJ-VHSXEESVSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C(C)C 86311508 572912700 /nfs/dbraw/zinc/91/27/00/572912700.db2.gz BQRMUDSMMMUFEW-QWRGUYRKSA-N 2 1 186.343 1.961 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)Cc1ccoc1 87999072 572912743 /nfs/dbraw/zinc/91/27/43/572912743.db2.gz NVXSXQYXCJKQOJ-SNVBAGLBSA-N 2 1 196.294 1.696 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)CC(C)(C)C 86312267 572912744 /nfs/dbraw/zinc/91/27/44/572912744.db2.gz AMYZRSBIROALGU-NXEZZACHSA-N 2 1 186.343 1.948 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C1CC1 86311480 572913503 /nfs/dbraw/zinc/91/35/03/572913503.db2.gz KXKFMLZRRCGWSR-DTWKUNHWSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CC1CCC1 86312368 572912772 /nfs/dbraw/zinc/91/27/72/572912772.db2.gz DVXPGJRBIHYVIZ-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311619 572912797 /nfs/dbraw/zinc/91/27/97/572912797.db2.gz PBGSCFBXJRLOPD-VHSXEESVSA-N 2 1 172.316 1.558 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)Cc1ccco1 86311689 572912835 /nfs/dbraw/zinc/91/28/35/572912835.db2.gz HSVKKULBVQBUNB-NXEZZACHSA-N 2 1 196.294 1.695 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CC1CC1 86311902 572912849 /nfs/dbraw/zinc/91/28/49/572912849.db2.gz LQDSTHKHBUEWCD-VHSXEESVSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311618 572912872 /nfs/dbraw/zinc/91/28/72/572912872.db2.gz PBGSCFBXJRLOPD-UWVGGRQHSA-N 2 1 172.316 1.558 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)CC1CCC1 86312377 572912951 /nfs/dbraw/zinc/91/29/51/572912951.db2.gz GDDZJLSPZFRZHS-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)CC1CC1 86311916 572912969 /nfs/dbraw/zinc/91/29/69/572912969.db2.gz VRAZUTQDYICTCV-IUCAKERBSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C[NH3+])CC[N@H+]1CC[C@H](C)C1 87999029 572912987 /nfs/dbraw/zinc/91/29/87/572912987.db2.gz GCRCIFGZSSKQFT-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)n1cc[nH+]c1C 86312987 572913956 /nfs/dbraw/zinc/91/39/56/572913956.db2.gz LOHCRGVSTTULBP-RKDXNWHRSA-N 2 1 181.283 1.608 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C 86311504 572913052 /nfs/dbraw/zinc/91/30/52/572913052.db2.gz BJBRJEMMVPCNQY-IUCAKERBSA-N 2 1 158.289 1.182 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)Cc1ccco1 86311690 572913067 /nfs/dbraw/zinc/91/30/67/572913067.db2.gz HSVKKULBVQBUNB-UWVGGRQHSA-N 2 1 196.294 1.695 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@@H](C)C[NH2+]C 86313120 572913087 /nfs/dbraw/zinc/91/30/87/572913087.db2.gz IUZFOXZOIYDPPC-UWVGGRQHSA-N 2 1 195.310 1.862 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@@H](C)C[NH2+]C 86313121 572913102 /nfs/dbraw/zinc/91/31/02/572913102.db2.gz IUZFOXZOIYDPPC-VHSXEESVSA-N 2 1 195.310 1.862 10 0 ADAEMP CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C 86311505 572913111 /nfs/dbraw/zinc/91/31/11/572913111.db2.gz BJBRJEMMVPCNQY-DTWKUNHWSA-N 2 1 158.289 1.182 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CC1CCC1 86312370 572913127 /nfs/dbraw/zinc/91/31/27/572913127.db2.gz DVXPGJRBIHYVIZ-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)n1cc[nH+]c1C 86312985 572913140 /nfs/dbraw/zinc/91/31/40/572913140.db2.gz LOHCRGVSTTULBP-DTWKUNHWSA-N 2 1 181.283 1.608 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)CC 86311500 572913145 /nfs/dbraw/zinc/91/31/45/572913145.db2.gz DMEBUJDCRSWMMT-GHMZBOCLSA-N 2 1 186.343 1.962 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)CC1CCC1 87999528 572913147 /nfs/dbraw/zinc/91/31/47/572913147.db2.gz FLDRWXYMFQDHNV-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](C)[C@@H](C)C[NH2+]C 86311536 572913188 /nfs/dbraw/zinc/91/31/88/572913188.db2.gz HWUYLAGTDHHKAK-QWRGUYRKSA-N 2 1 186.343 1.962 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](CC1CC1)C1CC1 86312725 572913235 /nfs/dbraw/zinc/91/32/35/572913235.db2.gz DHFSLVCVCFJDOJ-ZJUUUORDSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H](C1CC1)[N@H+](C)[C@H](C)[C@H](C)C[NH3+] 86311777 572913286 /nfs/dbraw/zinc/91/32/86/572913286.db2.gz LCGWWLKWRHFXDP-BBBLOLIVSA-N 2 1 184.327 1.700 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C 86311446 572913335 /nfs/dbraw/zinc/91/33/35/572913335.db2.gz XATZKQGIJPUJFA-UWVGGRQHSA-N 2 1 172.316 1.572 10 0 ADAEMP C[C@@H](C[NH2+]C1CC1)[C@H](C)[N@@H+](C)C1CC1 86311498 572913350 /nfs/dbraw/zinc/91/33/50/572913350.db2.gz JJZGTCPXLMQNSY-UWVGGRQHSA-N 2 1 196.338 1.857 10 0 ADAEMP CCC[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CC 86311501 572913361 /nfs/dbraw/zinc/91/33/61/572913361.db2.gz DMEBUJDCRSWMMT-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)C[C@H]1C[C@H]1C 86312632 572913370 /nfs/dbraw/zinc/91/33/70/572913370.db2.gz HMOPFUVJHZHFBY-VPOLOUISSA-N 2 1 184.327 1.558 10 0 ADAEMP CC[C@@H](C[NH3+])CC[N@H+]1CC[C@H](C)C1 87999030 572913377 /nfs/dbraw/zinc/91/33/77/572913377.db2.gz GCRCIFGZSSKQFT-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C)C1 86312826 572913471 /nfs/dbraw/zinc/91/34/71/572913471.db2.gz GUAZQDUQARILPA-YFKTTZPYSA-N 2 1 198.354 1.818 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 86311512 572913392 /nfs/dbraw/zinc/91/33/92/572913392.db2.gz NOSYRUDJYRWCRM-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@H](C)C[NH3+] 86313139 572913405 /nfs/dbraw/zinc/91/34/05/572913405.db2.gz HFVPPFXUWFGIIY-RKDXNWHRSA-N 2 1 181.283 1.601 10 0 ADAEMP CC(C)CC[N@@H+](C)CC[C@H](C)C[NH3+] 87999088 572913472 /nfs/dbraw/zinc/91/34/72/572913472.db2.gz UUYBMVVBHYDLPW-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)CC1CC1 86311917 572913422 /nfs/dbraw/zinc/91/34/22/572913422.db2.gz VRAZUTQDYICTCV-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311651 572913439 /nfs/dbraw/zinc/91/34/39/572913439.db2.gz ZHUIYKGRXRSXQH-DCAQKATOSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)C[NH3+] 86311524 572913451 /nfs/dbraw/zinc/91/34/51/572913451.db2.gz ZLJDQCMCUCGWAS-UWVGGRQHSA-N 2 1 172.316 1.700 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)C1CCCC1 86311470 572913986 /nfs/dbraw/zinc/91/39/86/572913986.db2.gz PZRXUNSIUAPCQX-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311439 572913591 /nfs/dbraw/zinc/91/35/91/572913591.db2.gz MEWPLLITAYJBBP-GUBZILKMSA-N 2 1 172.316 1.700 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2C[C@H]([NH3+])C[C@@H]21 257629888 572913595 /nfs/dbraw/zinc/91/35/95/572913595.db2.gz JSCKWJXTQIONAS-DCAQKATOSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](C)Cc1ccoc1 87999071 572913603 /nfs/dbraw/zinc/91/36/03/572913603.db2.gz NVXSXQYXCJKQOJ-JTQLQIEISA-N 2 1 196.294 1.696 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)CC1CC1 86311903 572913613 /nfs/dbraw/zinc/91/36/13/572913613.db2.gz LQDSTHKHBUEWCD-NXEZZACHSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)[C@@H](C)C[NH2+]C 86311599 572913970 /nfs/dbraw/zinc/91/39/70/572913970.db2.gz BBYZMNLHZCLCQR-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)CC(C)(C)C 86312269 572913635 /nfs/dbraw/zinc/91/36/35/572913635.db2.gz AMYZRSBIROALGU-ZJUUUORDSA-N 2 1 186.343 1.948 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)CC1CCC1 86312379 572913672 /nfs/dbraw/zinc/91/36/72/572913672.db2.gz GDDZJLSPZFRZHS-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)[C@@H](C)C[NH2+]C 86312645 572913731 /nfs/dbraw/zinc/91/37/31/572913731.db2.gz NTESTWWRMDIVIG-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)CC1CC1 86311905 572913741 /nfs/dbraw/zinc/91/37/41/572913741.db2.gz LQDSTHKHBUEWCD-ZJUUUORDSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C(C)C 86311509 572913752 /nfs/dbraw/zinc/91/37/52/572913752.db2.gz BQRMUDSMMMUFEW-WDEREUQCSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH2+]C 86311598 572913762 /nfs/dbraw/zinc/91/37/62/572913762.db2.gz BBYZMNLHZCLCQR-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)C1 86311937 572913812 /nfs/dbraw/zinc/91/38/12/572913812.db2.gz VLKBLDSGPLSXTL-DCAQKATOSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)n1cc[nH+]c1C 86312986 572913822 /nfs/dbraw/zinc/91/38/22/572913822.db2.gz LOHCRGVSTTULBP-BDAKNGLRSA-N 2 1 181.283 1.608 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)Cc1ccoc1 86312205 572913873 /nfs/dbraw/zinc/91/38/73/572913873.db2.gz VPUOXCINYNXDST-NXEZZACHSA-N 2 1 196.294 1.695 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86312648 572913904 /nfs/dbraw/zinc/91/39/04/572913904.db2.gz DZUXVKWGPCFMFC-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311753 572914673 /nfs/dbraw/zinc/91/46/73/572914673.db2.gz OARCVOHZYXINJV-DCAQKATOSA-N 2 1 186.343 1.946 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)C1CCCC1 86311468 572914173 /nfs/dbraw/zinc/91/41/73/572914173.db2.gz PZRXUNSIUAPCQX-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)CC1CC1 86311904 572914184 /nfs/dbraw/zinc/91/41/84/572914184.db2.gz LQDSTHKHBUEWCD-UWVGGRQHSA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)C[NH3+])CC1CC1 87999678 572914196 /nfs/dbraw/zinc/91/41/96/572914196.db2.gz XIKQUVSVLJOGHZ-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](CC1CC1)C1CC1 87999758 572914212 /nfs/dbraw/zinc/91/42/12/572914212.db2.gz VVBGYIBLEQDEBJ-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)C1CCCC1 86311469 572914217 /nfs/dbraw/zinc/91/42/17/572914217.db2.gz PZRXUNSIUAPCQX-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](CC[C@H](C)C[NH3+])CC1CC1 87999679 572914231 /nfs/dbraw/zinc/91/42/31/572914231.db2.gz XIKQUVSVLJOGHZ-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](CC1CC1)C1CC1 86312724 572914233 /nfs/dbraw/zinc/91/42/33/572914233.db2.gz DHFSLVCVCFJDOJ-UWVGGRQHSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)CC 86311502 572914247 /nfs/dbraw/zinc/91/42/47/572914247.db2.gz DMEBUJDCRSWMMT-MNOVXSKESA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)n1c[nH+]c(C)c1C 86313143 572914291 /nfs/dbraw/zinc/91/42/91/572914291.db2.gz DGSBXFGQHVDQOJ-PSASIEDQSA-N 2 1 195.310 1.916 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@H+]1CCC(C)(C)C1 87999881 572914373 /nfs/dbraw/zinc/91/43/73/572914373.db2.gz MPHLABHFCAMVRH-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH3+] 86313166 572914392 /nfs/dbraw/zinc/91/43/92/572914392.db2.gz GIFIURXIEMAIGJ-ZJUUUORDSA-N 2 1 195.310 1.991 10 0 ADAEMP CC[C@H](C[NH3+])CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 87999838 572914421 /nfs/dbraw/zinc/91/44/21/572914421.db2.gz UYKZODOKXWTCAZ-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[N@@H+](C)[C@H](C)[C@@H](C)C[NH2+]C1CC1 86311513 572914423 /nfs/dbraw/zinc/91/44/23/572914423.db2.gz NOSYRUDJYRWCRM-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C[NH3+])CC[N@@H+](C)C[C@@H]1C[C@@H]1C 87999676 572914429 /nfs/dbraw/zinc/91/44/29/572914429.db2.gz TVZMJBMZIVPCCL-SRVKXCTJSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)[C@@H](C)C1CC1 86311768 572914439 /nfs/dbraw/zinc/91/44/39/572914439.db2.gz PBPLJHFAESNAEK-AXFHLTTASA-N 2 1 198.354 1.961 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@H](C)C[NH2+]C 86313122 572914547 /nfs/dbraw/zinc/91/45/47/572914547.db2.gz IUZFOXZOIYDPPC-ZJUUUORDSA-N 2 1 195.310 1.862 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2C[C@@H]([NH3+])C[C@@H]21 257629887 572914548 /nfs/dbraw/zinc/91/45/48/572914548.db2.gz JSCKWJXTQIONAS-AXFHLTTASA-N 2 1 196.338 1.844 10 0 ADAEMP CCCC[N@@H+](C)[C@@H](C)[C@@H](C)C[NH3+] 86311224 572914557 /nfs/dbraw/zinc/91/45/57/572914557.db2.gz BWIOINMVCOSSOV-UWVGGRQHSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+](C)CC[C@@H](C)C[NH3+] 87999675 572914558 /nfs/dbraw/zinc/91/45/58/572914558.db2.gz SFDKTNYKNBKALR-VWYCJHECSA-N 2 1 184.327 1.559 10 0 ADAEMP CC[C@@H](C[NH3+])CC[N@@H+]1C[C@@H](C)[C@@H](C)C1 87999839 572914573 /nfs/dbraw/zinc/91/45/73/572914573.db2.gz UYKZODOKXWTCAZ-GRYCIOLGSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[N@@H+](CC)[C@H](C)[C@@H](C)C[NH2+]C 86311537 572914588 /nfs/dbraw/zinc/91/45/88/572914588.db2.gz HWUYLAGTDHHKAK-WDEREUQCSA-N 2 1 186.343 1.962 10 0 ADAEMP C[C@H](C[NH3+])CC[N@H+]1CCC(C)(C)C1 87999880 572914606 /nfs/dbraw/zinc/91/46/06/572914606.db2.gz MPHLABHFCAMVRH-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)n1cc[nH+]c1C 86312984 572914618 /nfs/dbraw/zinc/91/46/18/572914618.db2.gz LOHCRGVSTTULBP-IUCAKERBSA-N 2 1 181.283 1.608 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)CC1CCC1 86312378 572914645 /nfs/dbraw/zinc/91/46/45/572914645.db2.gz GDDZJLSPZFRZHS-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)C1CCCC1 86311471 572914657 /nfs/dbraw/zinc/91/46/57/572914657.db2.gz PZRXUNSIUAPCQX-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@@H+](C)Cc1ccco1 86311691 572914701 /nfs/dbraw/zinc/91/47/01/572914701.db2.gz HSVKKULBVQBUNB-ZJUUUORDSA-N 2 1 196.294 1.695 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)C(C)C 86311255 572914720 /nfs/dbraw/zinc/91/47/20/572914720.db2.gz SRKFTMKQKKRKQI-VHSXEESVSA-N 2 1 172.316 1.571 10 0 ADAEMP CCC[N@H+](C1CC1)[C@@H](C)[C@@H](C)C[NH3+] 86311554 572914733 /nfs/dbraw/zinc/91/47/33/572914733.db2.gz WXHUZSITAZCNEO-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CCCC[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311225 572914818 /nfs/dbraw/zinc/91/48/18/572914818.db2.gz BWIOINMVCOSSOV-VHSXEESVSA-N 2 1 172.316 1.702 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2C[C@H]([NH3+])C[C@H]21 257629889 572914820 /nfs/dbraw/zinc/91/48/20/572914820.db2.gz JSCKWJXTQIONAS-GARJFASQSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H](C[NH3+])CC[N@@H+](C)C[C@@H]1C[C@@H]1C 87999677 572914822 /nfs/dbraw/zinc/91/48/22/572914822.db2.gz TVZMJBMZIVPCCL-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CC(C)C 86311613 572914835 /nfs/dbraw/zinc/91/48/35/572914835.db2.gz ZJGMJNSQVAULJA-WDEREUQCSA-N 2 1 186.343 1.818 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[C@@H](C)C[NH3+])C[C@@H]1C 87999835 572914853 /nfs/dbraw/zinc/91/48/53/572914853.db2.gz ATXQOYJQTODYMW-MXWKQRLJSA-N 2 1 184.327 1.559 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H]1C 86312627 572914883 /nfs/dbraw/zinc/91/48/83/572914883.db2.gz UGINRNLKVMNYAS-BJDJZHNGSA-N 2 1 198.354 1.818 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](CC1CC1)C1CC1 87999757 572914916 /nfs/dbraw/zinc/91/49/16/572914916.db2.gz VVBGYIBLEQDEBJ-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 86311770 572914918 /nfs/dbraw/zinc/91/49/18/572914918.db2.gz PBPLJHFAESNAEK-DCAQKATOSA-N 2 1 198.354 1.961 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@@H]2C[C@@H]([NH3+])C[C@H]21 257629890 572914963 /nfs/dbraw/zinc/91/49/63/572914963.db2.gz JSCKWJXTQIONAS-HBNTYKKESA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)Cc1ccoc1 86312206 572915002 /nfs/dbraw/zinc/91/50/02/572915002.db2.gz VPUOXCINYNXDST-UWVGGRQHSA-N 2 1 196.294 1.695 10 0 ADAEMP C[NH2+][C@H](C)Cn1c[nH+]cc1C(C)C 308186106 572915004 /nfs/dbraw/zinc/91/50/04/572915004.db2.gz JVTPMAWOMHUGGG-SECBINFHSA-N 2 1 181.283 1.614 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)n1c[nH+]c(C)c1C 86313142 572915012 /nfs/dbraw/zinc/91/50/12/572915012.db2.gz DGSBXFGQHVDQOJ-SCZZXKLOSA-N 2 1 195.310 1.916 10 0 ADAEMP CCC[N@@H+](CC)[C@H](C)[C@@H](C)C[NH3+] 86311543 572915039 /nfs/dbraw/zinc/91/50/39/572915039.db2.gz YMIUXRGCQGMCFD-VHSXEESVSA-N 2 1 172.316 1.702 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)[C@H](C)C[NH3+] 86313167 572915103 /nfs/dbraw/zinc/91/51/03/572915103.db2.gz GIFIURXIEMAIGJ-NXEZZACHSA-N 2 1 195.310 1.991 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)[C@@H](C)C[NH3+] 86311453 572915115 /nfs/dbraw/zinc/91/51/15/572915115.db2.gz RYUPLYQFKHMVGJ-DTWKUNHWSA-N 2 1 158.289 1.312 10 0 ADAEMP C[C@@H]1CC[N@H+](C)[C@H]2CC(C)(C)[NH2+][C@H]2C1 257630159 572915183 /nfs/dbraw/zinc/91/51/83/572915183.db2.gz LEJUOFNHPYUKDE-VWYCJHECSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@H]2CC(C)(C)[NH2+][C@H]2C1 257630159 572915184 /nfs/dbraw/zinc/91/51/84/572915184.db2.gz LEJUOFNHPYUKDE-VWYCJHECSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@H+](C)[C@H]2CC(C)(C)[NH2+][C@@H]2C1 257630157 572915188 /nfs/dbraw/zinc/91/51/88/572915188.db2.gz LEJUOFNHPYUKDE-MXWKQRLJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@H]2CC(C)(C)[NH2+][C@@H]2C1 257630157 572915189 /nfs/dbraw/zinc/91/51/89/572915189.db2.gz LEJUOFNHPYUKDE-MXWKQRLJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@H+](C)[C@@H]2CC(C)(C)[NH2+][C@H]2C1 257630158 572915206 /nfs/dbraw/zinc/91/52/06/572915206.db2.gz LEJUOFNHPYUKDE-OUAUKWLOSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]2CC(C)(C)[NH2+][C@H]2C1 257630158 572915208 /nfs/dbraw/zinc/91/52/08/572915208.db2.gz LEJUOFNHPYUKDE-OUAUKWLOSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[N@@H+](C[C@H](C)C[NH3+])CC(C)(C)C 308188868 572916825 /nfs/dbraw/zinc/91/68/25/572916825.db2.gz HQWGKTDRYLWUTR-SNVBAGLBSA-N 2 1 186.343 1.949 10 0 ADAEMP CO[C@H](C)CCC[NH2+]C(C)(C)C[NH3+] 308189685 572918847 /nfs/dbraw/zinc/91/88/47/572918847.db2.gz MRXMOJSQBOJCOY-SECBINFHSA-N 2 1 188.315 1.128 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H](N)Cc1ccco1 257656328 572918199 /nfs/dbraw/zinc/91/81/99/572918199.db2.gz DKIDVVWFRPIOQG-WDEREUQCSA-N 2 1 194.278 1.244 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@@H+](CC2(C)CC2)C1 235400746 572918346 /nfs/dbraw/zinc/91/83/46/572918346.db2.gz UXQWNJSPBQWVSQ-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP CCCCc1nc(C[NH2+]C)c[nH]1 86324146 572918422 /nfs/dbraw/zinc/91/84/22/572918422.db2.gz GBMUGFDFKIJXPE-UHFFFAOYSA-N 2 1 167.256 1.472 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C)C[C@@H]1C 235405933 572918457 /nfs/dbraw/zinc/91/84/57/572918457.db2.gz OEDPTXPMGHZVOQ-WYUUTHIRSA-N 2 1 196.338 1.572 10 0 ADAEMP CCCC[C@H]([NH3+])Cc1cc[nH+]c(N)c1 86322700 572918458 /nfs/dbraw/zinc/91/84/58/572918458.db2.gz VDWPFQSYPWOATP-JTQLQIEISA-N 2 1 193.294 1.724 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H](N)Cc1ccco1 257656327 572918606 /nfs/dbraw/zinc/91/86/06/572918606.db2.gz DKIDVVWFRPIOQG-QWRGUYRKSA-N 2 1 194.278 1.244 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 308189501 572918660 /nfs/dbraw/zinc/91/86/60/572918660.db2.gz IEVGDWDVEFFWEN-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 308189500 572918905 /nfs/dbraw/zinc/91/89/05/572918905.db2.gz IEVGDWDVEFFWEN-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CN1CCC[C@H]([C@@H]([NH3+])c2ccon2)C1 257656365 572919248 /nfs/dbraw/zinc/91/92/48/572919248.db2.gz LJICLFNAPGWBLV-WCBMZHEXSA-N 2 1 195.266 1.016 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CC[NH2+]C[C@@H]1C 308189722 572919260 /nfs/dbraw/zinc/91/92/60/572919260.db2.gz MTECDIAZVAPXMY-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP CCCC[C@@H]([NH3+])Cc1cc[nH+]c(N)c1 86322703 572919371 /nfs/dbraw/zinc/91/93/71/572919371.db2.gz VDWPFQSYPWOATP-SNVBAGLBSA-N 2 1 193.294 1.724 10 0 ADAEMP CN1CCC[C@@H]([C@@H]([NH3+])c2ccon2)C1 257656364 572919390 /nfs/dbraw/zinc/91/93/90/572919390.db2.gz LJICLFNAPGWBLV-PSASIEDQSA-N 2 1 195.266 1.016 10 0 ADAEMP CN1CCC[C@H]([C@@H]([NH3+])c2cnoc2)C1 257656381 572919461 /nfs/dbraw/zinc/91/94/61/572919461.db2.gz PTJAKSZBFXGEOT-WCBMZHEXSA-N 2 1 195.266 1.016 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H](N)c2cnco2)C1 257656303 572919583 /nfs/dbraw/zinc/91/95/83/572919583.db2.gz AGJVCVRKIKTRLP-PSASIEDQSA-N 2 1 195.266 1.016 10 0 ADAEMP CN1CCC[C@@H]([C@@H]([NH3+])c2cnoc2)C1 257656380 572919762 /nfs/dbraw/zinc/91/97/62/572919762.db2.gz PTJAKSZBFXGEOT-PSASIEDQSA-N 2 1 195.266 1.016 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H](N)c2cnco2)C1 257656304 572919814 /nfs/dbraw/zinc/91/98/14/572919814.db2.gz AGJVCVRKIKTRLP-WCBMZHEXSA-N 2 1 195.266 1.016 10 0 ADAEMP CO[C@@H](C)CCC[NH2+]C(C)(C)C[NH3+] 308189686 572919861 /nfs/dbraw/zinc/91/98/61/572919861.db2.gz MRXMOJSQBOJCOY-VIFPVBQESA-N 2 1 188.315 1.128 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CC[NH2+]C[C@@H]1C 308189721 572920319 /nfs/dbraw/zinc/92/03/19/572920319.db2.gz MTECDIAZVAPXMY-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H]1C[C@@H](Cc2[nH+]ccn2C)CC[NH2+]1 235411047 572920253 /nfs/dbraw/zinc/92/02/53/572920253.db2.gz BQPKZPABXMTUOT-ZJUUUORDSA-N 2 1 193.294 1.351 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H](C)[C@H](C)C[NH2+]C 252603099 572920564 /nfs/dbraw/zinc/92/05/64/572920564.db2.gz NTESTWWRMDIVIG-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@@H]([NH3+])[C@H]1CCC[N@H+]1C 83962700 572920785 /nfs/dbraw/zinc/92/07/85/572920785.db2.gz WOLIQQZYFKKYKN-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])C[C@H](C)[C@H]1C 308193055 572920804 /nfs/dbraw/zinc/92/08/04/572920804.db2.gz PRBKOERJMMRTTB-AXFHLTTASA-N 2 1 184.327 1.605 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H]([NH3+])C(C)(C)C 83963427 572920935 /nfs/dbraw/zinc/92/09/35/572920935.db2.gz LFIHQCWVURDYTL-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])C(C)(C)C 83963425 572921017 /nfs/dbraw/zinc/92/10/17/572921017.db2.gz LFIHQCWVURDYTL-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@H]1CCC[N@H+]1C 83962703 572921230 /nfs/dbraw/zinc/92/12/30/572921230.db2.gz OSIXDNHIBGVTCE-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@@H]1CCC[N@H+]1C 83962702 572921420 /nfs/dbraw/zinc/92/14/20/572921420.db2.gz OSIXDNHIBGVTCE-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@H+](CC1CC1)C[C@@H]([NH3+])CC1CC1 308192375 572921496 /nfs/dbraw/zinc/92/14/96/572921496.db2.gz OSBBQCBGDZPTDJ-NSHDSACASA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@@H]1CCC[N@H+]1C 83962701 572921567 /nfs/dbraw/zinc/92/15/67/572921567.db2.gz OSIXDNHIBGVTCE-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])C[C@@H](C)[C@H]1C 308193057 572921655 /nfs/dbraw/zinc/92/16/55/572921655.db2.gz PRBKOERJMMRTTB-MXWKQRLJSA-N 2 1 184.327 1.605 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@H]([NH3+])C(C)(C)C 83963428 572921682 /nfs/dbraw/zinc/92/16/82/572921682.db2.gz LFIHQCWVURDYTL-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@H]([NH3+])[C@@H]1CCC[N@H+]1C 83962697 572921779 /nfs/dbraw/zinc/92/17/79/572921779.db2.gz WOLIQQZYFKKYKN-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H]([NH3+])[C@H]1CCC[N@H+]1C 83962699 572921934 /nfs/dbraw/zinc/92/19/34/572921934.db2.gz WOLIQQZYFKKYKN-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCCC[C@@H](C)[N@@H+](C)CCC(N)=[NH2+] 308192903 572922203 /nfs/dbraw/zinc/92/22/03/572922203.db2.gz KPWQTAOLGWZABW-SECBINFHSA-N 2 1 185.315 1.823 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H]([NH3+])C(C)(C)C 83963426 572922223 /nfs/dbraw/zinc/92/22/23/572922223.db2.gz LFIHQCWVURDYTL-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H](C)[C@H](C)C[NH2+]C 252603098 572922252 /nfs/dbraw/zinc/92/22/52/572922252.db2.gz NTESTWWRMDIVIG-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])C[C@H](C)[C@@H]1C 308193056 572922419 /nfs/dbraw/zinc/92/24/19/572922419.db2.gz PRBKOERJMMRTTB-DCAQKATOSA-N 2 1 184.327 1.605 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[NH2+]CCC[NH+]1CCC1 714607598 572922466 /nfs/dbraw/zinc/92/24/66/572922466.db2.gz BLMRUDNKICWHEB-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@H]1CCC[N@H+]1C 83962704 572922500 /nfs/dbraw/zinc/92/25/00/572922500.db2.gz OSIXDNHIBGVTCE-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC[C@@H]([NH3+])[C@@H]1CCC[N@H+]1C 83962698 572922599 /nfs/dbraw/zinc/92/25/99/572922599.db2.gz WOLIQQZYFKKYKN-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)C(C(C)C)[N@@H+](C)CCC[NH3+] 308192953 572922710 /nfs/dbraw/zinc/92/27/10/572922710.db2.gz KTVCYSPMWJEGOB-UHFFFAOYSA-N 2 1 186.343 1.948 10 0 ADAEMP C[N@H+](CC1CC1)C[C@H]([NH3+])CC1CC1 308192374 572922800 /nfs/dbraw/zinc/92/28/00/572922800.db2.gz OSBBQCBGDZPTDJ-LLVKDONJSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@H](C1CC1)[N@@H+](C)CCC[NH3+] 308194460 572925069 /nfs/dbraw/zinc/92/50/69/572925069.db2.gz PYZCXVXKCSPHRG-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+][C@@H](C)c1c[nH+]c(NC)[nH]1 308194778 572926182 /nfs/dbraw/zinc/92/61/82/572926182.db2.gz QELRLRYGSOWJPZ-ZETCQYMHSA-N 2 1 182.271 1.512 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCCOCC[NH3+] 308191572 572926251 /nfs/dbraw/zinc/92/62/51/572926251.db2.gz OBLIOAJLZVKYBN-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@H+]1[C@H](C)CC 86386646 572926356 /nfs/dbraw/zinc/92/63/56/572926356.db2.gz CANHJEBJZOJRET-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@H+]1[C@@H](C)CC 86386647 572926535 /nfs/dbraw/zinc/92/65/35/572926535.db2.gz CANHJEBJZOJRET-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H](C)[C@H]([NH2+]C)C(C)(C)[NH+](C)C 86392549 572928233 /nfs/dbraw/zinc/92/82/33/572928233.db2.gz KAYMTOPWHWMPSS-ZJUUUORDSA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]CCCC(F)(F)F 308202015 572928852 /nfs/dbraw/zinc/92/88/52/572928852.db2.gz VYNDTZNLWZPJIJ-UHFFFAOYSA-N 2 1 198.232 1.656 10 0 ADAEMP CC(C)C[C@H](C)[NH2+][C@@H](C[NH3+])C(C)C 308202006 572929158 /nfs/dbraw/zinc/92/91/58/572929158.db2.gz VXNQSKITGOJFKT-QWRGUYRKSA-N 2 1 186.343 1.994 10 0 ADAEMP CC[C@@H](C)[C@@H]([NH2+]C)C(C)(C)[NH+](C)C 86392553 572929250 /nfs/dbraw/zinc/92/92/50/572929250.db2.gz KAYMTOPWHWMPSS-NXEZZACHSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@H](C)[C@@H]([NH2+]C)C(C)(C)[NH+](C)C 86392556 572929419 /nfs/dbraw/zinc/92/94/19/572929419.db2.gz KAYMTOPWHWMPSS-VHSXEESVSA-N 2 1 186.343 1.961 10 0 ADAEMP CC1CCC(CC[NH2+]CC[NH3+])CC1 308200870 572929627 /nfs/dbraw/zinc/92/96/27/572929627.db2.gz PSCFQYTUKYKGDZ-UHFFFAOYSA-N 2 1 184.327 1.751 10 0 ADAEMP CC[C@H](C)[C@H]([NH2+]C)C(C)(C)[NH+](C)C 86392551 572929769 /nfs/dbraw/zinc/92/97/69/572929769.db2.gz KAYMTOPWHWMPSS-UWVGGRQHSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CCCF)C1 88024558 572930141 /nfs/dbraw/zinc/93/01/41/572930141.db2.gz CHUXETTYALUPSC-JTQLQIEISA-N 2 1 188.290 1.277 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CC[C@H]2C[C@H]21 308203131 572930205 /nfs/dbraw/zinc/93/02/05/572930205.db2.gz GBICRAAHCPXMBU-AXFHLTTASA-N 2 1 182.311 1.359 10 0 ADAEMP CC[NH2+]C1CC[NH+](CCCF)CC1 88023885 572930740 /nfs/dbraw/zinc/93/07/40/572930740.db2.gz KBRIPCJXWYSFQT-UHFFFAOYSA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CCCF)C1 88024557 572930771 /nfs/dbraw/zinc/93/07/71/572930771.db2.gz CHUXETTYALUPSC-SNVBAGLBSA-N 2 1 188.290 1.277 10 0 ADAEMP C[N@@H+](CCCF)[C@H]1CCC[C@@H]1C[NH3+] 88026411 572931931 /nfs/dbraw/zinc/93/19/31/572931931.db2.gz YRUTVIBEEIIAIP-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[N@H+](CCCF)[C@H]1CCC[NH2+]C1 88026360 572932193 /nfs/dbraw/zinc/93/21/93/572932193.db2.gz DLNWPFFUSLORGW-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@@H+](CCCF)[C@H]1CCC[NH2+]C1 88026360 572932195 /nfs/dbraw/zinc/93/21/95/572932195.db2.gz DLNWPFFUSLORGW-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@@H+](CCCF)C1CC[NH2+]CC1 88026313 572933119 /nfs/dbraw/zinc/93/31/19/572933119.db2.gz YYWOWXYUCFGOBM-UHFFFAOYSA-N 2 1 188.290 1.420 10 0 ADAEMP CO[C@H](C)Cc1ncc([C@H](C)[NH3+])[nH]1 308203906 572933226 /nfs/dbraw/zinc/93/32/26/572933226.db2.gz XHTCPLFSYBTHPD-RQJHMYQMSA-N 2 1 183.255 1.007 10 0 ADAEMP CC(C)(C)[NH2+]CC[NH2+][Si](C)(C)C 238105149 572933256 /nfs/dbraw/zinc/93/32/56/572933256.db2.gz LJCXTSKPQPFKBB-UHFFFAOYSA-N 2 1 188.391 1.799 10 0 ADAEMP CC[N@@H+](CCCF)CC(C)(C)C[NH3+] 88026443 572933289 /nfs/dbraw/zinc/93/32/89/572933289.db2.gz HIEKYNABLYLGNC-UHFFFAOYSA-N 2 1 190.306 1.653 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]CCCCF)C1 308204251 572933460 /nfs/dbraw/zinc/93/34/60/572933460.db2.gz GQOZNVKQIQZPKH-SNVBAGLBSA-N 2 1 188.290 1.277 10 0 ADAEMP CCC[C@@](C[NH3+])([NH2+]C(C)C)C1CC1 308205141 572933797 /nfs/dbraw/zinc/93/37/97/572933797.db2.gz YHSRHNPIBSQAKR-NSHDSACASA-N 2 1 184.327 1.892 10 0 ADAEMP CCCC[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 86409881 572933677 /nfs/dbraw/zinc/93/36/77/572933677.db2.gz DIZJIHGDICJQIJ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CO[C@@H](C)Cc1ncc([C@H](C)[NH3+])[nH]1 308203902 572933733 /nfs/dbraw/zinc/93/37/33/572933733.db2.gz XHTCPLFSYBTHPD-BQBZGAKWSA-N 2 1 183.255 1.007 10 0 ADAEMP FCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 88024751 572934677 /nfs/dbraw/zinc/93/46/77/572934677.db2.gz KNRGYBKVVDYXPO-ZJUUUORDSA-N 2 1 186.274 1.172 10 0 ADAEMP CO[C@H](C)Cc1ncc([C@@H](C)[NH3+])[nH]1 308203905 572933965 /nfs/dbraw/zinc/93/39/65/572933965.db2.gz XHTCPLFSYBTHPD-RNFRBKRXSA-N 2 1 183.255 1.007 10 0 ADAEMP CCCC[N@@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86409878 572934678 /nfs/dbraw/zinc/93/46/78/572934678.db2.gz ZXSOYGBWHSHTNG-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CO[C@@H](C)Cc1ncc([C@@H](C)[NH3+])[nH]1 308203903 572934066 /nfs/dbraw/zinc/93/40/66/572934066.db2.gz XHTCPLFSYBTHPD-NKWVEPMBSA-N 2 1 183.255 1.007 10 0 ADAEMP CCCC[N@@H+](CC)[C@@H]1CC[C@H]([NH3+])C1 86409893 572934093 /nfs/dbraw/zinc/93/40/93/572934093.db2.gz QYZGCRBORUKFLJ-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@@H+](CCCF)CC1CC([NH3+])C1 88027136 572934684 /nfs/dbraw/zinc/93/46/84/572934684.db2.gz DPTVJFJDOJIDKQ-UHFFFAOYSA-N 2 1 174.263 1.015 10 0 ADAEMP CCCC[N@@H+](CC)[C@H]1CC[C@H]([NH3+])C1 86409894 572934491 /nfs/dbraw/zinc/93/44/91/572934491.db2.gz QYZGCRBORUKFLJ-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]CCCCF)C1 308204250 572934530 /nfs/dbraw/zinc/93/45/30/572934530.db2.gz GQOZNVKQIQZPKH-JTQLQIEISA-N 2 1 188.290 1.277 10 0 ADAEMP CCC[C@](C[NH3+])([NH2+]C(C)C)C1CC1 308205139 572934563 /nfs/dbraw/zinc/93/45/63/572934563.db2.gz YHSRHNPIBSQAKR-LLVKDONJSA-N 2 1 184.327 1.892 10 0 ADAEMP FCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 88024751 572934675 /nfs/dbraw/zinc/93/46/75/572934675.db2.gz KNRGYBKVVDYXPO-ZJUUUORDSA-N 2 1 186.274 1.172 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CCCF 88027129 572934666 /nfs/dbraw/zinc/93/46/66/572934666.db2.gz GQVSTOGWTHUSNK-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH2+]CCCF)C1 88024776 572934759 /nfs/dbraw/zinc/93/47/59/572934759.db2.gz AJADBKHXNXNYDW-JTQLQIEISA-N 2 1 188.290 1.277 10 0 ADAEMP CSCCC[C@@H](C[NH3+])[NH2+]C1CC1 231732136 572934796 /nfs/dbraw/zinc/93/47/96/572934796.db2.gz XTZKVNQBTMAECU-VIFPVBQESA-N 2 1 188.340 1.209 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH2+]CCCF)C1 88024775 572934950 /nfs/dbraw/zinc/93/49/50/572934950.db2.gz AJADBKHXNXNYDW-SNVBAGLBSA-N 2 1 188.290 1.277 10 0 ADAEMP [NH3+]CCC[C@@H]1CCC[N@H+]1CCCF 88027130 572935117 /nfs/dbraw/zinc/93/51/17/572935117.db2.gz GQVSTOGWTHUSNK-SNVBAGLBSA-N 2 1 188.290 1.549 10 0 ADAEMP FCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 88024750 572935218 /nfs/dbraw/zinc/93/52/18/572935218.db2.gz KNRGYBKVVDYXPO-NXEZZACHSA-N 2 1 186.274 1.172 10 0 ADAEMP FCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 88024750 572935221 /nfs/dbraw/zinc/93/52/21/572935221.db2.gz KNRGYBKVVDYXPO-NXEZZACHSA-N 2 1 186.274 1.172 10 0 ADAEMP CSCCC[C@H](C[NH3+])[NH2+]C(C)C 231732133 572935297 /nfs/dbraw/zinc/93/52/97/572935297.db2.gz ZQLFATLMDPUMQF-SECBINFHSA-N 2 1 190.356 1.455 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(C)(C)F 308206640 572935519 /nfs/dbraw/zinc/93/55/19/572935519.db2.gz IKXRYEPLIZWAIX-SNVBAGLBSA-N 2 1 190.306 1.698 10 0 ADAEMP FCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]12 88024753 572935548 /nfs/dbraw/zinc/93/55/48/572935548.db2.gz KNRGYBKVVDYXPO-UWVGGRQHSA-N 2 1 186.274 1.172 10 0 ADAEMP FCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]12 88024753 572935552 /nfs/dbraw/zinc/93/55/52/572935552.db2.gz KNRGYBKVVDYXPO-UWVGGRQHSA-N 2 1 186.274 1.172 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86432913 572935882 /nfs/dbraw/zinc/93/58/82/572935882.db2.gz BPVBOAWLLYRFOC-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2CCC[C@H]21 393485949 572936026 /nfs/dbraw/zinc/93/60/26/572936026.db2.gz XLAZNVVGMGFFIX-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2CCC[C@H]21 393485949 572936029 /nfs/dbraw/zinc/93/60/29/572936029.db2.gz XLAZNVVGMGFFIX-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](C[NH+]1CCCC1)[NH2+]CCCF 88024683 572936115 /nfs/dbraw/zinc/93/61/15/572936115.db2.gz YLTXCUCVRUZPDD-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432462 572936427 /nfs/dbraw/zinc/93/64/27/572936427.db2.gz OHPJXRFIBHCAEG-NWDGAFQWSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2CCC[C@@H]21 393485947 572936220 /nfs/dbraw/zinc/93/62/20/572936220.db2.gz XLAZNVVGMGFFIX-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[N@H+]1CC[C@H]2CCC[C@@H]21 393485947 572936223 /nfs/dbraw/zinc/93/62/23/572936223.db2.gz XLAZNVVGMGFFIX-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2CCC[C@@H]21 393485951 572936298 /nfs/dbraw/zinc/93/62/98/572936298.db2.gz XLAZNVVGMGFFIX-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2CCC[C@@H]21 393485951 572936301 /nfs/dbraw/zinc/93/63/01/572936301.db2.gz XLAZNVVGMGFFIX-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86431486 572936314 /nfs/dbraw/zinc/93/63/14/572936314.db2.gz KWFVGSJYGQLLPO-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2CCC[C@H]21 393485952 572936353 /nfs/dbraw/zinc/93/63/53/572936353.db2.gz XLAZNVVGMGFFIX-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[N@H+]1CC[C@H]2CCC[C@H]21 393485952 572936356 /nfs/dbraw/zinc/93/63/56/572936356.db2.gz XLAZNVVGMGFFIX-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H](C[NH+]1CCCC1)[NH2+]CCCF 88024684 572936370 /nfs/dbraw/zinc/93/63/70/572936370.db2.gz YLTXCUCVRUZPDD-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86432916 572936574 /nfs/dbraw/zinc/93/65/74/572936574.db2.gz JCDMIDHZVPXZGH-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)C[N@@H+](C1CC1)[C@H]1CC[C@H]([NH3+])C1 86432431 572937041 /nfs/dbraw/zinc/93/70/41/572937041.db2.gz JBUFBIRCSVEKMZ-JQWIXIFHSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH2+]CC(C)(C)F 308206637 572936670 /nfs/dbraw/zinc/93/66/70/572936670.db2.gz IKXRYEPLIZWAIX-JTQLQIEISA-N 2 1 190.306 1.698 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86432463 572936716 /nfs/dbraw/zinc/93/67/16/572936716.db2.gz OHPJXRFIBHCAEG-RYUDHWBXSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)C[N@@H+](C1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432429 572936825 /nfs/dbraw/zinc/93/68/25/572936825.db2.gz JBUFBIRCSVEKMZ-CMPLNLGQSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86431844 572937050 /nfs/dbraw/zinc/93/70/50/572937050.db2.gz APVWHLFVDDMNLM-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CCCC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 50889185 572936887 /nfs/dbraw/zinc/93/68/87/572936887.db2.gz NVLHBKYAOPZRFN-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 86431847 572936968 /nfs/dbraw/zinc/93/69/68/572936968.db2.gz APVWHLFVDDMNLM-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1C[N@@H+](CCCF)CCC[NH2+]1 88027522 572937520 /nfs/dbraw/zinc/93/75/20/572937520.db2.gz OHXGRWQRXYMZFL-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CCC[C@H]([NH3+])C1 86432914 572937600 /nfs/dbraw/zinc/93/76/00/572937600.db2.gz BPVBOAWLLYRFOC-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86432915 572937625 /nfs/dbraw/zinc/93/76/25/572937625.db2.gz JCDMIDHZVPXZGH-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2CC2)C1 86432968 572938036 /nfs/dbraw/zinc/93/80/36/572938036.db2.gz DRTWZBCEWLKOGP-JQWIXIFHSA-N 2 1 194.322 1.741 10 0 ADAEMP CCC(CC)[N@@H+](C)CCOCC[NH3+] 86435407 572938048 /nfs/dbraw/zinc/93/80/48/572938048.db2.gz MVWRWFJEABYGDH-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP [NH3+][C@H]1CC[C@@H]([N@@H+](CC2CC2)C2CC2)C1 86432967 572938448 /nfs/dbraw/zinc/93/84/48/572938448.db2.gz DRTWZBCEWLKOGP-CMPLNLGQSA-N 2 1 194.322 1.741 10 0 ADAEMP C[NH2+][C@](C[NH3+])(CCC(C)C)C1CC1 308196401 572938758 /nfs/dbraw/zinc/93/87/58/572938758.db2.gz RHUQQRMRLAHJCT-NSHDSACASA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(N)=[NH2+] 86437817 572939982 /nfs/dbraw/zinc/93/99/82/572939982.db2.gz KNSVHKLPVRWGQO-IUCAKERBSA-N 2 1 185.315 1.679 10 0 ADAEMP CCOCCC[NH2+][C@](C)(CC)C[NH3+] 308196389 572939068 /nfs/dbraw/zinc/93/90/68/572939068.db2.gz RGTCKEJZDIZSFB-SNVBAGLBSA-N 2 1 188.315 1.130 10 0 ADAEMP C[NH2+]C1(C[NH2+]CCCCF)CCC1 308196231 572939128 /nfs/dbraw/zinc/93/91/28/572939128.db2.gz MRYMDNBTPMFXNO-UHFFFAOYSA-N 2 1 188.290 1.468 10 0 ADAEMP CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(N)=[NH2+] 86437815 572939258 /nfs/dbraw/zinc/93/92/58/572939258.db2.gz KNSVHKLPVRWGQO-BDAKNGLRSA-N 2 1 185.315 1.679 10 0 ADAEMP CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(N)=[NH2+] 86437815 572939260 /nfs/dbraw/zinc/93/92/60/572939260.db2.gz KNSVHKLPVRWGQO-BDAKNGLRSA-N 2 1 185.315 1.679 10 0 ADAEMP C[NH2+][C@@](C[NH3+])(CCC(C)C)C1CC1 308196400 572939283 /nfs/dbraw/zinc/93/92/83/572939283.db2.gz RHUQQRMRLAHJCT-LLVKDONJSA-N 2 1 184.327 1.750 10 0 ADAEMP NC(=[NH2+])CC[NH+]1Cc2ccccc2C1 50911418 572939402 /nfs/dbraw/zinc/93/94/02/572939402.db2.gz LDWRXFWDQCCWMY-UHFFFAOYSA-N 2 1 189.262 1.328 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC[C@H](C[NH3+])OC 299995314 572939442 /nfs/dbraw/zinc/93/94/42/572939442.db2.gz LJYGEGMTSNLSHE-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC[C@H](C[NH3+])OC 299995313 572939639 /nfs/dbraw/zinc/93/96/39/572939639.db2.gz LJYGEGMTSNLSHE-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C)C[N@@H+](CC)C/C=C/C[NH3+] 86437766 572939673 /nfs/dbraw/zinc/93/96/73/572939673.db2.gz YKPMASMVMXUHPD-XUIVZRPNSA-N 2 1 184.327 1.869 10 0 ADAEMP CC[C@H](C)C[N@@H+](CC)C/C=C/C[NH3+] 86437768 572939702 /nfs/dbraw/zinc/93/97/02/572939702.db2.gz YKPMASMVMXUHPD-MLRMMBSGSA-N 2 1 184.327 1.869 10 0 ADAEMP CC[C@H](C)C[N@H+](CC)[C@@H](C)C(N)=[NH2+] 86437817 572939975 /nfs/dbraw/zinc/93/99/75/572939975.db2.gz KNSVHKLPVRWGQO-IUCAKERBSA-N 2 1 185.315 1.679 10 0 ADAEMP CC(C)[C@@H](C[NH+](C)C)NC1=[NH+]CCC1 86455025 572940965 /nfs/dbraw/zinc/94/09/65/572940965.db2.gz BSILUACBOICRKF-SNVBAGLBSA-N 2 1 197.326 1.355 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CCCCCF 308209855 572941314 /nfs/dbraw/zinc/94/13/14/572941314.db2.gz KOCULIFBQWXKGF-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCCCCF 308209855 572941316 /nfs/dbraw/zinc/94/13/16/572941316.db2.gz KOCULIFBQWXKGF-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP CC(C)[N@H+](C)CCNC1=[NH+]CCCC1 86455455 572941566 /nfs/dbraw/zinc/94/15/66/572941566.db2.gz USKFYGLRTRTDQZ-UHFFFAOYSA-N 2 1 197.326 1.499 10 0 ADAEMP CC(C)[N@@H+](C)CCNC1=[NH+]CCCC1 86455455 572941569 /nfs/dbraw/zinc/94/15/69/572941569.db2.gz USKFYGLRTRTDQZ-UHFFFAOYSA-N 2 1 197.326 1.499 10 0 ADAEMP CC(C)[C@H](C[NH+](C)C)NC1=[NH+]CCC1 86455026 572941619 /nfs/dbraw/zinc/94/16/19/572941619.db2.gz BSILUACBOICRKF-JTQLQIEISA-N 2 1 197.326 1.355 10 0 ADAEMP CCC[NH2+]CC(C)(C)C[NH+]1CCC1 308209427 572941998 /nfs/dbraw/zinc/94/19/98/572941998.db2.gz KGNHLDRWNXPDOW-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC(C)[N@H+](C)CCNC1=[NH+]CCC1 86455453 572942003 /nfs/dbraw/zinc/94/20/03/572942003.db2.gz NJYCMNRXMUHXBL-UHFFFAOYSA-N 2 1 183.299 1.109 10 0 ADAEMP CC(C)[N@@H+](C)CCNC1=[NH+]CCC1 86455453 572942005 /nfs/dbraw/zinc/94/20/05/572942005.db2.gz NJYCMNRXMUHXBL-UHFFFAOYSA-N 2 1 183.299 1.109 10 0 ADAEMP CC[NH2+]CCC[N@@H+](C)CCC1CC1 308210340 572942028 /nfs/dbraw/zinc/94/20/28/572942028.db2.gz GCEFQCWYRKCSAN-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@@H](C[C@@H](C)[NH3+])C2 76089423 572942153 /nfs/dbraw/zinc/94/21/53/572942153.db2.gz FCOKVCIVMNDQDO-APPZFPTMSA-N 2 1 193.294 1.560 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CCCCCF 308209853 572942166 /nfs/dbraw/zinc/94/21/66/572942166.db2.gz KOCULIFBQWXKGF-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCCCCF 308209853 572942168 /nfs/dbraw/zinc/94/21/68/572942168.db2.gz KOCULIFBQWXKGF-NXEZZACHSA-N 2 1 188.290 1.548 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H]([C@H](C)C[NH3+])C2 76089419 572942211 /nfs/dbraw/zinc/94/22/11/572942211.db2.gz ZPPUXOOKKRCJGC-APPZFPTMSA-N 2 1 193.294 1.418 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H]([NH+](C)C)C2 76089162 572942327 /nfs/dbraw/zinc/94/23/27/572942327.db2.gz ILJLJIRSXMKINV-QMMMGPOBSA-N 2 1 179.267 1.137 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2[C@@H](C)C[NH3+] 76089409 572942359 /nfs/dbraw/zinc/94/23/59/572942359.db2.gz UXGOLVIMYOGKOF-CBAPKCEASA-N 2 1 193.294 1.733 10 0 ADAEMP Cc1[nH+]c2c(n1C)C[C@H]([NH+](C)C)CC2 76089474 572942439 /nfs/dbraw/zinc/94/24/39/572942439.db2.gz VVJZIXMQVNPTNY-SECBINFHSA-N 2 1 193.294 1.147 10 0 ADAEMP CC(C)c1[nH]c2c([nH+]1)CCC[C@H]2C[NH3+] 76090692 572943262 /nfs/dbraw/zinc/94/32/62/572943262.db2.gz ZYCWMVWVUHPDCY-QMMMGPOBSA-N 2 1 193.294 1.912 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@@H](C[C@H](C)[NH3+])C2 76089429 572942727 /nfs/dbraw/zinc/94/27/27/572942727.db2.gz FCOKVCIVMNDQDO-CBAPKCEASA-N 2 1 193.294 1.560 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2[C@@H](C)C[NH3+] 76089406 572942752 /nfs/dbraw/zinc/94/27/52/572942752.db2.gz UXGOLVIMYOGKOF-IONNQARKSA-N 2 1 193.294 1.733 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@@H]([NH+](C)C)C2 76089160 572942865 /nfs/dbraw/zinc/94/28/65/572942865.db2.gz ILJLJIRSXMKINV-MRVPVSSYSA-N 2 1 179.267 1.137 10 0 ADAEMP CC[N@@H+](C)CC1CCC(C[NH3+])CC1 86478699 572942867 /nfs/dbraw/zinc/94/28/67/572942867.db2.gz LQTGXDNIUIIUHL-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP COC(C)(C)C[C@@H](C[NH3+])[NH2+]C(C)C 234583014 572942961 /nfs/dbraw/zinc/94/29/61/572942961.db2.gz KRQUCYKVGXUJIM-VIFPVBQESA-N 2 1 188.315 1.127 10 0 ADAEMP Cc1[nH+]c2c(n1C(C)C)CC[C@H]([NH3+])C2 76089967 572943048 /nfs/dbraw/zinc/94/30/48/572943048.db2.gz FFTNLUJQTZWRPU-VIFPVBQESA-N 2 1 193.294 1.588 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2C[C@@H](C)[NH3+] 76089435 572943062 /nfs/dbraw/zinc/94/30/62/572943062.db2.gz AWGSVODETADOSD-VXNVDRBHSA-N 2 1 193.294 1.875 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2C[C@H](C)[NH3+] 76089438 572943111 /nfs/dbraw/zinc/94/31/11/572943111.db2.gz AWGSVODETADOSD-CBAPKCEASA-N 2 1 193.294 1.875 10 0 ADAEMP Cc1[nH+]c2c(n1C(C)C)CC[C@@H]([NH3+])C2 76089968 572943429 /nfs/dbraw/zinc/94/34/29/572943429.db2.gz FFTNLUJQTZWRPU-SECBINFHSA-N 2 1 193.294 1.588 10 0 ADAEMP C[NH2+]C[C@@H]1CCc2c([nH+]c(C)n2C)C1 76089626 572943175 /nfs/dbraw/zinc/94/31/75/572943175.db2.gz QSYJSMRMAKWGLE-SECBINFHSA-N 2 1 193.294 1.053 10 0 ADAEMP C[NH2+]C[C@H]1CCc2[nH+]c(C)n(C)c2C1 76089618 572943313 /nfs/dbraw/zinc/94/33/13/572943313.db2.gz DLPDMFYJPZNDNO-VIFPVBQESA-N 2 1 193.294 1.053 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H](C[C@@H](C)[NH3+])C2 76089425 572943466 /nfs/dbraw/zinc/94/34/66/572943466.db2.gz FCOKVCIVMNDQDO-VXNVDRBHSA-N 2 1 193.294 1.560 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H](C[C@H](C)[NH3+])C2 76089431 572943534 /nfs/dbraw/zinc/94/35/34/572943534.db2.gz FCOKVCIVMNDQDO-IONNQARKSA-N 2 1 193.294 1.560 10 0 ADAEMP CC[N@@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@@]1(C)C[C@H]1C 714614239 572943550 /nfs/dbraw/zinc/94/35/50/572943550.db2.gz FDZKVUKWNCVSEC-KXNHARMFSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@@]1(C)C[C@H]1C 714614239 572943552 /nfs/dbraw/zinc/94/35/52/572943552.db2.gz FDZKVUKWNCVSEC-KXNHARMFSA-N 2 1 196.338 1.715 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@@H]([C@@H](C)C[NH3+])C2 76089417 572943686 /nfs/dbraw/zinc/94/36/86/572943686.db2.gz ZPPUXOOKKRCJGC-IONNQARKSA-N 2 1 193.294 1.418 10 0 ADAEMP CC(C)c1[nH]c2c([nH+]1)CCC[C@@H]2C[NH3+] 76090695 572943643 /nfs/dbraw/zinc/94/36/43/572943643.db2.gz ZYCWMVWVUHPDCY-MRVPVSSYSA-N 2 1 193.294 1.912 10 0 ADAEMP C[NH2+]C[C@H]1CCCc2[nH+]c(C)[nH]c21 76089317 572943957 /nfs/dbraw/zinc/94/39/57/572943957.db2.gz WPKIOWXZASOXDV-MRVPVSSYSA-N 2 1 179.267 1.357 10 0 ADAEMP C[NH2+][C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 76090671 572944013 /nfs/dbraw/zinc/94/40/13/572944013.db2.gz GCEATQNTBSNCJK-MRVPVSSYSA-N 2 1 193.294 1.610 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2[C@H](C)C[NH3+] 76089412 572944032 /nfs/dbraw/zinc/94/40/32/572944032.db2.gz UXGOLVIMYOGKOF-APPZFPTMSA-N 2 1 193.294 1.733 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2C[C@H](C)[NH3+] 76089439 572944069 /nfs/dbraw/zinc/94/40/69/572944069.db2.gz AWGSVODETADOSD-IONNQARKSA-N 2 1 193.294 1.875 10 0 ADAEMP C[NH2+]C[C@H]1CCc2c([nH+]c(C)n2C)C1 76089625 572944143 /nfs/dbraw/zinc/94/41/43/572944143.db2.gz QSYJSMRMAKWGLE-VIFPVBQESA-N 2 1 193.294 1.053 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2[C@H](C)C[NH3+] 76089410 572944305 /nfs/dbraw/zinc/94/43/05/572944305.db2.gz UXGOLVIMYOGKOF-VXNVDRBHSA-N 2 1 193.294 1.733 10 0 ADAEMP C[N@@H+](CC1CCC(C[NH3+])CC1)C1CC1 86478702 572944410 /nfs/dbraw/zinc/94/44/10/572944410.db2.gz UBQATLZTMWXNOF-UHFFFAOYSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@@]1(C)C[C@@H]1C 714614295 572944610 /nfs/dbraw/zinc/94/46/10/572944610.db2.gz FDZKVUKWNCVSEC-YFKTTZPYSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@@]1(C)C[C@@H]1C 714614295 572944612 /nfs/dbraw/zinc/94/46/12/572944612.db2.gz FDZKVUKWNCVSEC-YFKTTZPYSA-N 2 1 196.338 1.715 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@@H]([C@H](C)C[NH3+])C2 76089420 572944677 /nfs/dbraw/zinc/94/46/77/572944677.db2.gz ZPPUXOOKKRCJGC-VXNVDRBHSA-N 2 1 193.294 1.418 10 0 ADAEMP C[N@@H+](CCC1(C[NH3+])CCC1)CC1CC1 88051821 572945703 /nfs/dbraw/zinc/94/57/03/572945703.db2.gz DAKNWABFNINAPJ-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP C[NH2+]C[C@@H]1CCc2[nH+]c(C)n(C)c2C1 76089616 572944761 /nfs/dbraw/zinc/94/47/61/572944761.db2.gz DLPDMFYJPZNDNO-SECBINFHSA-N 2 1 193.294 1.053 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H]([C@@H](C)C[NH3+])C2 76089414 572944777 /nfs/dbraw/zinc/94/47/77/572944777.db2.gz ZPPUXOOKKRCJGC-CBAPKCEASA-N 2 1 193.294 1.418 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2C[C@@H](C)[NH3+] 76089433 572944818 /nfs/dbraw/zinc/94/48/18/572944818.db2.gz AWGSVODETADOSD-APPZFPTMSA-N 2 1 193.294 1.875 10 0 ADAEMP CC[N@@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@]1(C)C[C@@H]1C 714614261 572944823 /nfs/dbraw/zinc/94/48/23/572944823.db2.gz FDZKVUKWNCVSEC-NNYUYHANSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@]1(C)C[C@@H]1C 714614261 572944826 /nfs/dbraw/zinc/94/48/26/572944826.db2.gz FDZKVUKWNCVSEC-NNYUYHANSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC(CC)N(C)CC1([NH3+])CCC1 88051778 572945729 /nfs/dbraw/zinc/94/57/29/572945729.db2.gz BLCLVVHLFVHTPJ-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+][C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 76090674 572944977 /nfs/dbraw/zinc/94/49/77/572944977.db2.gz GCEATQNTBSNCJK-QMMMGPOBSA-N 2 1 193.294 1.610 10 0 ADAEMP Cc1[nH+]c2c(n1C)C[C@@H]([NH+](C)C)CC2 76089477 572945095 /nfs/dbraw/zinc/94/50/95/572945095.db2.gz VVJZIXMQVNPTNY-VIFPVBQESA-N 2 1 193.294 1.147 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 222609554 572945202 /nfs/dbraw/zinc/94/52/02/572945202.db2.gz BGZNGKWJMPJVTR-WRWGMCAJSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[N@@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@]1(C)C[C@H]1C 714614266 572945216 /nfs/dbraw/zinc/94/52/16/572945216.db2.gz FDZKVUKWNCVSEC-WRWGMCAJSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@@H]1[C@]1(C)C[C@H]1C 714614266 572945217 /nfs/dbraw/zinc/94/52/17/572945217.db2.gz FDZKVUKWNCVSEC-WRWGMCAJSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCN(CC)CC1([NH3+])CCC1 88051714 572945385 /nfs/dbraw/zinc/94/53/85/572945385.db2.gz AVBBCOCQDATQLU-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[N@@H+](C)CCC1(C[NH3+])CCC1 88051721 572945680 /nfs/dbraw/zinc/94/56/80/572945680.db2.gz MPPOROILHYNRPM-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP CC(C)[C@@H](C)N(C)CC1([NH3+])CCC1 88051774 572945476 /nfs/dbraw/zinc/94/54/76/572945476.db2.gz VVXJKGZXTPHMCT-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CN(C)CC1([NH3+])CCC1 88051722 572945685 /nfs/dbraw/zinc/94/56/85/572945685.db2.gz IYABPZMRZPQPRJ-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)N(C)CC1([NH3+])CCC1 88051781 572945503 /nfs/dbraw/zinc/94/55/03/572945503.db2.gz MLBVZULWJCEBIY-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](C)CN(C)CC1([NH3+])CCC1 88051737 572945574 /nfs/dbraw/zinc/94/55/74/572945574.db2.gz BQOCOVSYFRNRDT-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C1CC1)N(C)CC1([NH3+])CCC1 88051770 572945596 /nfs/dbraw/zinc/94/55/96/572945596.db2.gz QKYNWSXZZYJUPZ-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP CCN(CC1([NH3+])CCC1)C(C)C 88051706 572945611 /nfs/dbraw/zinc/94/56/11/572945611.db2.gz LKUNLZTYOSTFLD-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H](C1CC1)N(C)CC1([NH3+])CCC1 88051771 572945622 /nfs/dbraw/zinc/94/56/22/572945622.db2.gz QKYNWSXZZYJUPZ-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@H](C)N(C)CC1([NH3+])CCC1 88051775 572945644 /nfs/dbraw/zinc/94/56/44/572945644.db2.gz VVXJKGZXTPHMCT-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)N(CC)CC1([NH3+])CCC1 88051730 572945652 /nfs/dbraw/zinc/94/56/52/572945652.db2.gz JUSLILUOHKPCMU-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCN(CC)CC1([NH3+])CCC1 88051657 572945665 /nfs/dbraw/zinc/94/56/65/572945665.db2.gz DNGDITNRXBJLRQ-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CCCN(CCC)CC1([NH3+])CCC1 88051649 572945848 /nfs/dbraw/zinc/94/58/48/572945848.db2.gz XUQROEAUURDYIT-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP CCCN(CC1([NH3+])CCC1)C(C)C 88051716 572946051 /nfs/dbraw/zinc/94/60/51/572946051.db2.gz VNPTZFMYZOIELW-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](CCC1(C[NH3+])CCC1)C1CC1 88051703 572946124 /nfs/dbraw/zinc/94/61/24/572946124.db2.gz QDIFPGDEOJURIA-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H](C)N(CC)CC1([NH3+])CCC1 88051731 572946165 /nfs/dbraw/zinc/94/61/65/572946165.db2.gz JUSLILUOHKPCMU-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC1(C[NH3+])CCC1 88051814 572946211 /nfs/dbraw/zinc/94/62/11/572946211.db2.gz OQLIMLFZOUPJNJ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC1(C[NH3+])CCC1 88051815 572946233 /nfs/dbraw/zinc/94/62/33/572946233.db2.gz OQLIMLFZOUPJNJ-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)[N@@H+](C)CCC1(C[NH3+])CCC1 88051663 572946241 /nfs/dbraw/zinc/94/62/41/572946241.db2.gz DTSAZMWXRBPMLK-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CCC1(C[NH3+])CCC1)C1CC1 88051705 572946265 /nfs/dbraw/zinc/94/62/65/572946265.db2.gz FZFHPYQDYJZYHB-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@@H+](C)CCC1(C[NH3+])CCC1 88051701 572946485 /nfs/dbraw/zinc/94/64/85/572946485.db2.gz ULJFHXSXHSDZJH-UHFFFAOYSA-N 2 1 170.300 1.457 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 222615379 572946771 /nfs/dbraw/zinc/94/67/71/572946771.db2.gz GGAWPDFJYIUYTF-WRWGMCAJSA-N 2 1 194.322 1.620 10 0 ADAEMP C[C@H]1C[C@]1(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 714615150 572947209 /nfs/dbraw/zinc/94/72/09/572947209.db2.gz UYMJUIKXUGJQCM-LAVVOLMRSA-N 2 1 194.322 1.312 10 0 ADAEMP [NH3+]C[C@H]1[C@@H]2C[N@H+](C3CCCC3)C[C@H]12 251520656 572947589 /nfs/dbraw/zinc/94/75/89/572947589.db2.gz WUHJVVSRGRIYKH-RTCCRHLQSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 714615155 572947705 /nfs/dbraw/zinc/94/77/05/572947705.db2.gz UYMJUIKXUGJQCM-NXQJVVEESA-N 2 1 194.322 1.312 10 0 ADAEMP CC[N@@H+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86531178 572949658 /nfs/dbraw/zinc/94/96/58/572949658.db2.gz XSQMBTSJIFJOKA-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[NH2+]CC(C)(C)[NH+]1CCCCC1 308214070 572948810 /nfs/dbraw/zinc/94/88/10/572948810.db2.gz YKIMYCRXAWKZNX-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[N@@H+](CC[C@H]1CCC[C@@H]1[NH3+])C1CC1 86531239 572949580 /nfs/dbraw/zinc/94/95/80/572949580.db2.gz YYKDBWGVXYOOTL-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]CCCC[N@H+]1CC2CCC1CC2 308215060 572949452 /nfs/dbraw/zinc/94/94/52/572949452.db2.gz ZCLYYRWTSPMKQF-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP Cc1nc(C[NH2+]C/C=C/C[NH3+])cs1 308215069 572949502 /nfs/dbraw/zinc/94/95/02/572949502.db2.gz ZDBRVZCACUDAQL-NSCUHMNNSA-N 2 1 197.307 1.056 10 0 ADAEMP CC[N@@H+](C)CC[C@H]1CCC[C@@H]1[NH2+]C 86531191 572949741 /nfs/dbraw/zinc/94/97/41/572949741.db2.gz ZHUIUEBJQNRWQJ-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86531340 572950018 /nfs/dbraw/zinc/95/00/18/572950018.db2.gz SBFCKYPGCQYOCX-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86530954 572950156 /nfs/dbraw/zinc/95/01/56/572950156.db2.gz XLODCGADCADEOO-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](CC[C@@H]1CCC[C@@H]1[NH3+])C1CC1 86531210 572950075 /nfs/dbraw/zinc/95/00/75/572950075.db2.gz ZGVOKZDUWBOUBT-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCC[C@@H]1[NH3+])CC1CC1 86531606 572950120 /nfs/dbraw/zinc/95/01/20/572950120.db2.gz QGLTVRSFJQGNIB-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1CC[N@@H+](C)C1CC1 86531246 572950478 /nfs/dbraw/zinc/95/04/78/572950478.db2.gz KGDQHSGLUQKOMK-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1CC[N@@H+](C)C1CC1 86531247 572950488 /nfs/dbraw/zinc/95/04/88/572950488.db2.gz KGDQHSGLUQKOMK-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](CC[C@H]1CCC[C@@H]1[NH3+])C1CC1 86531213 572950704 /nfs/dbraw/zinc/95/07/04/572950704.db2.gz ZGVOKZDUWBOUBT-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](C)CC[C@H]1CCC[C@@H]1[NH3+] 86531342 572950772 /nfs/dbraw/zinc/95/07/72/572950772.db2.gz SBFCKYPGCQYOCX-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1CC[N@@H+](C)C1CC1 86531250 572950832 /nfs/dbraw/zinc/95/08/32/572950832.db2.gz KGDQHSGLUQKOMK-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C)CC[C@@H]1CCC[C@@H]1[NH3+] 86531176 572950896 /nfs/dbraw/zinc/95/08/96/572950896.db2.gz XSQMBTSJIFJOKA-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)[N@H+](C)[C@H](C[NH3+])COC 299997807 572950930 /nfs/dbraw/zinc/95/09/30/572950930.db2.gz OYDPXTIVYWSMSN-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)[C@H](C[NH3+])COC 299997807 572950931 /nfs/dbraw/zinc/95/09/31/572950931.db2.gz OYDPXTIVYWSMSN-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H](C)[N@H+](C)[C@H](C[NH3+])COC 299997806 572950952 /nfs/dbraw/zinc/95/09/52/572950952.db2.gz OYDPXTIVYWSMSN-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)[C@H](C[NH3+])COC 299997806 572950954 /nfs/dbraw/zinc/95/09/54/572950954.db2.gz OYDPXTIVYWSMSN-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](C)CC[C@@H]1CCC[C@@H]1[NH2+]C 86531188 572951018 /nfs/dbraw/zinc/95/10/18/572951018.db2.gz ZHUIUEBJQNRWQJ-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+]1Cc2ccccc2[C@@H](C[NH3+])C1 58519007 572952184 /nfs/dbraw/zinc/95/21/84/572952184.db2.gz DFJORAWKAWVPGI-JTQLQIEISA-N 2 1 176.263 1.174 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1CC1 222608084 572952568 /nfs/dbraw/zinc/95/25/68/572952568.db2.gz HNIHIRGUIJHPHB-JFGNBEQYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@@H+]1Cc2ccccc2[C@H](C[NH3+])C1 58519006 572953398 /nfs/dbraw/zinc/95/33/98/572953398.db2.gz DFJORAWKAWVPGI-SNVBAGLBSA-N 2 1 176.263 1.174 10 0 ADAEMP Cc1cccc2c1[C@H](C[NH3+])C[N@H+](C)C2 58521324 572953722 /nfs/dbraw/zinc/95/37/22/572953722.db2.gz ICEUCBMGKCAZIE-LLVKDONJSA-N 2 1 190.290 1.483 10 0 ADAEMP C=C/C=C\CC[N@H+](C)C[C@H](C)C[NH2+]C 713650055 572955357 /nfs/dbraw/zinc/95/53/57/572955357.db2.gz BHULMDFQVWBRKI-ZHRWSRJISA-N 2 1 196.338 1.906 10 0 ADAEMP Cc1ccc2c(c1)C[N@@H+](C)C[C@@H]2C[NH3+] 58521319 572954208 /nfs/dbraw/zinc/95/42/08/572954208.db2.gz ZXTDNDIIJXIMPR-NSHDSACASA-N 2 1 190.290 1.483 10 0 ADAEMP Cc1cccc2c1[C@@H](C[NH3+])C[N@H+](C)C2 58521326 572954704 /nfs/dbraw/zinc/95/47/04/572954704.db2.gz ICEUCBMGKCAZIE-NSHDSACASA-N 2 1 190.290 1.483 10 0 ADAEMP Cc1ccc2c(c1)C[N@@H+](C)C[C@H]2C[NH3+] 58521321 572954840 /nfs/dbraw/zinc/95/48/40/572954840.db2.gz ZXTDNDIIJXIMPR-LLVKDONJSA-N 2 1 190.290 1.483 10 0 ADAEMP CCCC[NH2+][C@@H](C[NH3+])C(C)C 231048471 572954987 /nfs/dbraw/zinc/95/49/87/572954987.db2.gz WRPHHUMLMBBATP-VIFPVBQESA-N 2 1 158.289 1.359 10 0 ADAEMP C=C/C=C/CC[N@H+](C)C[C@H](C)C[NH2+]C 713650050 572955056 /nfs/dbraw/zinc/95/50/56/572955056.db2.gz BHULMDFQVWBRKI-NNNHXZLVSA-N 2 1 196.338 1.906 10 0 ADAEMP C=C/C=C/CC[N@H+](C)C[C@@H](C)C[NH2+]C 713650053 572955415 /nfs/dbraw/zinc/95/54/15/572955415.db2.gz BHULMDFQVWBRKI-SYTKJHMZSA-N 2 1 196.338 1.906 10 0 ADAEMP C=C/C=C\CC[N@H+](C)C[C@@H](C)C[NH2+]C 713650046 572955481 /nfs/dbraw/zinc/95/54/81/572955481.db2.gz BHULMDFQVWBRKI-DGMVEKRQSA-N 2 1 196.338 1.906 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH3+])CCCC1 51205632 572955564 /nfs/dbraw/zinc/95/55/64/572955564.db2.gz REJVYYOZYXMOSR-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CC(C)(C)C[NH3+] 51205294 572955828 /nfs/dbraw/zinc/95/58/28/572955828.db2.gz DJCCFRPOUQRASZ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(C[NH3+])CCCC1 51205634 572956011 /nfs/dbraw/zinc/95/60/11/572956011.db2.gz REJVYYOZYXMOSR-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+](CC(C)(C)C[NH3+])C1CC1 51215141 572956288 /nfs/dbraw/zinc/95/62/88/572956288.db2.gz KYPKRCCKAWYENZ-UHFFFAOYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+]CC/C=C/c1cc(C)c[nH+]c1N 86571079 572956324 /nfs/dbraw/zinc/95/63/24/572956324.db2.gz MYEONCFCLHBFDF-HWKANZROSA-N 2 1 191.278 1.595 10 0 ADAEMP CCCC[NH2+][C@H](C[NH3+])C(C)C 231048473 572956549 /nfs/dbraw/zinc/95/65/49/572956549.db2.gz WRPHHUMLMBBATP-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+]1C[C@@H](C)C[C@@H]1C 222615742 572956590 /nfs/dbraw/zinc/95/65/90/572956590.db2.gz FPAAPMVBLWOTQE-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)CC1CC1 51249783 572957377 /nfs/dbraw/zinc/95/73/77/572957377.db2.gz NDSSERHJASALTL-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CCc1[nH+]ccn1CC(C)(C)C[NH3+] 86595975 572960182 /nfs/dbraw/zinc/96/01/82/572960182.db2.gz SKBJBBYDNLDHJQ-UHFFFAOYSA-N 2 1 181.283 1.430 10 0 ADAEMP CC[NH2+]CC(C)(C)Cn1cc[nH+]c1C 86595897 572960368 /nfs/dbraw/zinc/96/03/68/572960368.db2.gz PSVBCVDDJBDBJT-UHFFFAOYSA-N 2 1 195.310 1.827 10 0 ADAEMP CCc1[nH+]ccn1CC(C)(C)C[NH2+]C 86595981 572960429 /nfs/dbraw/zinc/96/04/29/572960429.db2.gz KRWVQTOJSQCSFL-UHFFFAOYSA-N 2 1 195.310 1.691 10 0 ADAEMP C[NH2+]CC(C)(C)Cn1c[nH+]c(C)c1C 86595995 572961533 /nfs/dbraw/zinc/96/15/33/572961533.db2.gz ZMMXPDDZGJIXTM-UHFFFAOYSA-N 2 1 195.310 1.746 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]([N@@H+](C)CC)C1 86599146 572962082 /nfs/dbraw/zinc/96/20/82/572962082.db2.gz OFQYPMYZSDFBGT-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[C@H]([NH2+]C)C1 86599295 572962383 /nfs/dbraw/zinc/96/23/83/572962383.db2.gz BNQLGDZDFGIUBE-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]([N@@H+](C)CC)C1 86599151 572962546 /nfs/dbraw/zinc/96/25/46/572962546.db2.gz OFQYPMYZSDFBGT-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]([N@@H+](C)CC2CC2)C1 86599538 572962576 /nfs/dbraw/zinc/96/25/76/572962576.db2.gz RVMFAZXLFUFBDO-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]([N@@H+](C)CC)C1 86599144 572962609 /nfs/dbraw/zinc/96/26/09/572962609.db2.gz OFQYPMYZSDFBGT-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[C@H]([NH2+]C)C1 86599293 572962811 /nfs/dbraw/zinc/96/28/11/572962811.db2.gz BNQLGDZDFGIUBE-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]([N@@H+](C)CC)C1 86599149 572962829 /nfs/dbraw/zinc/96/28/29/572962829.db2.gz OFQYPMYZSDFBGT-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]([N@@H+](C)CC2CC2)C1 86599540 572963194 /nfs/dbraw/zinc/96/31/94/572963194.db2.gz RVMFAZXLFUFBDO-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]([N@@H+](C)CC2CC2)C1 86599535 572963595 /nfs/dbraw/zinc/96/35/95/572963595.db2.gz RVMFAZXLFUFBDO-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[C@H]([N@@H+](C)CC(C)C)C1 86618766 572965749 /nfs/dbraw/zinc/96/57/49/572965749.db2.gz AGZWXZRNHNINJU-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 86618704 572965700 /nfs/dbraw/zinc/96/57/00/572965700.db2.gz BAYSLGPFKQHYPZ-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[C@H]([NH2+]C)C1 86618707 572965372 /nfs/dbraw/zinc/96/53/72/572965372.db2.gz ILNRXAYZPKKUPB-WDEREUQCSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 59184524 572965404 /nfs/dbraw/zinc/96/54/04/572965404.db2.gz PVPVMYJHPWGUMR-JGVFFNPUSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=[NH2+] 59184524 572965407 /nfs/dbraw/zinc/96/54/07/572965407.db2.gz PVPVMYJHPWGUMR-JGVFFNPUSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[NH2+][C@H]1CC[C@H]([N@@H+](C)CC)C1 86618672 572965454 /nfs/dbraw/zinc/96/54/54/572965454.db2.gz GZCNYWZIEQVORW-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H]([N@@H+](C)CC)C1 86618671 572965472 /nfs/dbraw/zinc/96/54/72/572965472.db2.gz GZCNYWZIEQVORW-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+](C)C1CCCC1 59184448 572965969 /nfs/dbraw/zinc/96/59/69/572965969.db2.gz DMWWMCZJUVLORO-SSDOTTSWSA-N 2 1 169.272 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+](C)C1CCCC1 59184448 572965970 /nfs/dbraw/zinc/96/59/70/572965970.db2.gz DMWWMCZJUVLORO-SSDOTTSWSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[C@H]([NH2+]C)C1 86618708 572965998 /nfs/dbraw/zinc/96/59/98/572965998.db2.gz ILNRXAYZPKKUPB-QWRGUYRKSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CC[C@H](C)C1 59187234 572966209 /nfs/dbraw/zinc/96/62/09/572966209.db2.gz IRFLINOVXZREDP-JGVFFNPUSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CC[C@H](C)C1 59187234 572966210 /nfs/dbraw/zinc/96/62/10/572966210.db2.gz IRFLINOVXZREDP-JGVFFNPUSA-N 2 1 169.272 1.043 10 0 ADAEMP C[NH2+][C@H]1CC[C@H]([N@@H+](C)CC2CCC2)C1 86619288 572966222 /nfs/dbraw/zinc/96/62/22/572966222.db2.gz FRJPTBFMKOGUNT-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H]1C 59187215 572966254 /nfs/dbraw/zinc/96/62/54/572966254.db2.gz OQJJGIURRYZUFL-YUMQZZPRSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H]1C 59187215 572966256 /nfs/dbraw/zinc/96/62/56/572966256.db2.gz OQJJGIURRYZUFL-YUMQZZPRSA-N 2 1 169.272 1.185 10 0 ADAEMP CCC[NH2+][C@@H]1CC[C@H]([N@@H+](C)CC)C1 86618667 572966332 /nfs/dbraw/zinc/96/63/32/572966332.db2.gz ZSSXHRTYYCBRPZ-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H]([N@@H+](C)CC2CCC2)C1 86619290 572966515 /nfs/dbraw/zinc/96/65/15/572966515.db2.gz FRJPTBFMKOGUNT-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H]([N@@H+](C)CC(C)C)C1 86618765 572966894 /nfs/dbraw/zinc/96/68/94/572966894.db2.gz AGZWXZRNHNINJU-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CC[C@H](C)C1 59187231 572966982 /nfs/dbraw/zinc/96/69/82/572966982.db2.gz IRFLINOVXZREDP-YUMQZZPRSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CC[C@H](C)C1 59187231 572966985 /nfs/dbraw/zinc/96/69/85/572966985.db2.gz IRFLINOVXZREDP-YUMQZZPRSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[NH2+][C@H]1CC[C@@H]([N@@H+](C)CC)C1 86618674 572967099 /nfs/dbraw/zinc/96/70/99/572967099.db2.gz GZCNYWZIEQVORW-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H]([NH3+])C1(Cc2[nH+]ccn2C)CC1 689605587 572967113 /nfs/dbraw/zinc/96/71/13/572967113.db2.gz IIUZYTMHNSOLBZ-QMMMGPOBSA-N 2 1 179.267 1.090 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H]([N@@H+](C)CC)C1 86618673 572967121 /nfs/dbraw/zinc/96/71/21/572967121.db2.gz GZCNYWZIEQVORW-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)[C@H]1CCC[C@@H](C)C1 59184632 572967157 /nfs/dbraw/zinc/96/71/57/572967157.db2.gz LIZMJTKKPDFKJF-UTLUCORTSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)[C@H]1CCC[C@@H](C)C1 59184632 572967160 /nfs/dbraw/zinc/96/71/60/572967160.db2.gz LIZMJTKKPDFKJF-UTLUCORTSA-N 2 1 197.326 1.821 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CC[C@H]([NH2+]C)C1 86618734 572967253 /nfs/dbraw/zinc/96/72/53/572967253.db2.gz SWRAONHKLMHYNS-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H]([N@@H+](C)C2CC2)C1 86618701 572967278 /nfs/dbraw/zinc/96/72/78/572967278.db2.gz BAYSLGPFKQHYPZ-KOLCDFICSA-N 2 1 182.311 1.611 10 0 ADAEMP CCC[NH2+][C@H]1CC[C@@H]([N@@H+](C)CC)C1 86618670 572967293 /nfs/dbraw/zinc/96/72/93/572967293.db2.gz ZSSXHRTYYCBRPZ-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CC[C@H]([NH2+]C)C1 86619569 572967356 /nfs/dbraw/zinc/96/73/56/572967356.db2.gz MQQXGLZIQUSQTG-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@H]([NH2+]C)C1 86618678 572967399 /nfs/dbraw/zinc/96/73/99/572967399.db2.gz CNMQHOKLVKMPQQ-ONGXEEELSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H]([N@@H+](C)CC2CCC2)C1 86619289 572967439 /nfs/dbraw/zinc/96/74/39/572967439.db2.gz FRJPTBFMKOGUNT-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[C@H]([N@@H+](C)C2CC2)C1 86618702 572967573 /nfs/dbraw/zinc/96/75/73/572967573.db2.gz BAYSLGPFKQHYPZ-ONGXEEELSA-N 2 1 182.311 1.611 10 0 ADAEMP Cc1[nH+]ccn1-c1ccnc(C[NH3+])c1 51490866 572968719 /nfs/dbraw/zinc/96/87/19/572968719.db2.gz XXQQINXGNJDBEO-UHFFFAOYSA-N 2 1 188.234 1.034 10 0 ADAEMP C[N@@H+](CC(C)(C)C[NH3+])C1CCC1 86637474 572969018 /nfs/dbraw/zinc/96/90/18/572969018.db2.gz DXAXLLCFXADMCW-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H](Cc1[nH+]ccn1C)[C@@H](C)[NH3+] 689607490 572969106 /nfs/dbraw/zinc/96/91/06/572969106.db2.gz LFJHNHGJDNKFTI-ZJUUUORDSA-N 2 1 195.310 1.582 10 0 ADAEMP C/C=C/C[N@@H+](C)CC(C)(C)C[NH3+] 86638150 572969288 /nfs/dbraw/zinc/96/92/88/572969288.db2.gz WPFOFWGLLKBSGP-AATRIKPKSA-N 2 1 170.300 1.479 10 0 ADAEMP CC(C)[C@H](Cc1[nH+]ccn1C)[C@H](C)[NH3+] 689607476 572969561 /nfs/dbraw/zinc/96/95/61/572969561.db2.gz LFJHNHGJDNKFTI-UWVGGRQHSA-N 2 1 195.310 1.582 10 0 ADAEMP CC(C)[C@@H](Cc1[nH+]ccn1C)[C@H](C)[NH3+] 689607487 572969854 /nfs/dbraw/zinc/96/98/54/572969854.db2.gz LFJHNHGJDNKFTI-VHSXEESVSA-N 2 1 195.310 1.582 10 0 ADAEMP CC[N@@H+](C)CCc1ccccc1C[NH3+] 88138391 572970365 /nfs/dbraw/zinc/97/03/65/572970365.db2.gz XBRLMFUVSVIJIZ-UHFFFAOYSA-N 2 1 192.306 1.640 10 0 ADAEMP CCC1(CC)C[NH+](C(C)(C)C[NH3+])C1 86678097 572970616 /nfs/dbraw/zinc/97/06/16/572970616.db2.gz TVVDNHNJEKMTQF-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[NH+]1CC(C(C)C)C1 86679102 572970623 /nfs/dbraw/zinc/97/06/23/572970623.db2.gz OBRAENXQCZSRCJ-GFCCVEGCSA-N 2 1 198.354 1.948 10 0 ADAEMP CCC(CC)(C[NH3+])[NH+]1CC2(CC2)C1 86679152 572970635 /nfs/dbraw/zinc/97/06/35/572970635.db2.gz VAUGFKRYABRVOY-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC(CC)(C[NH3+])[NH+]1CC2(CCC2)C1 86679147 572970646 /nfs/dbraw/zinc/97/06/46/572970646.db2.gz MSUGJGIHLFWUBK-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)[C@H]([NH3+])C[NH+]1CC(C(C)(C)C)C1 86679336 572970656 /nfs/dbraw/zinc/97/06/56/572970656.db2.gz KDJDKUNVXDEXNH-LLVKDONJSA-N 2 1 198.354 1.948 10 0 ADAEMP CCC1C[NH+](C[C@@H]([NH3+])C(C)C)C1 86679305 572970736 /nfs/dbraw/zinc/97/07/36/572970736.db2.gz FVWOWKSXCBHNRT-SNVBAGLBSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H](CN)[N@@H+]1CC[C@H]1C 86679087 572970761 /nfs/dbraw/zinc/97/07/61/572970761.db2.gz AZWYFYHHJXOPAK-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](CN)[N@H+]1CC[C@H]1C 86679087 572970763 /nfs/dbraw/zinc/97/07/63/572970763.db2.gz AZWYFYHHJXOPAK-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[N@@H+]1CC[C@H]1C 86679087 572970765 /nfs/dbraw/zinc/97/07/65/572970765.db2.gz AZWYFYHHJXOPAK-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[N@H+]1CC[C@H]1C 86679087 572970767 /nfs/dbraw/zinc/97/07/67/572970767.db2.gz AZWYFYHHJXOPAK-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[NH+]1CC(C)C1 86679079 572970780 /nfs/dbraw/zinc/97/07/80/572970780.db2.gz SAWYZFPLVUSBAW-SNVBAGLBSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[NH+]1CC(C)C1 86679077 572970827 /nfs/dbraw/zinc/97/08/27/572970827.db2.gz SAWYZFPLVUSBAW-JTQLQIEISA-N 2 1 170.300 1.312 10 0 ADAEMP CCCC1C[NH+](C[C@H]([NH3+])C(C)C)C1 86679300 572970902 /nfs/dbraw/zinc/97/09/02/572970902.db2.gz YFCKUDDHTLYBNB-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])C[NH+]1CC(C(C)(C)C)C1 86678979 572970975 /nfs/dbraw/zinc/97/09/75/572970975.db2.gz HANKYEYNCJQYGO-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CCCC1C[NH+](C(C)(C)C[NH3+])C1 86678091 572971019 /nfs/dbraw/zinc/97/10/19/572971019.db2.gz FHQUAGASPIIZKH-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC1C[NH+](C[C@@H]([NH3+])C(C)C)C1 86679301 572971024 /nfs/dbraw/zinc/97/10/24/572971024.db2.gz YFCKUDDHTLYBNB-LLVKDONJSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC1(CC)C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679568 572973174 /nfs/dbraw/zinc/97/31/74/572973174.db2.gz JRLPSOFAAWFJBG-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)C1C[NH+](C[C@H]([NH3+])C(C)C)C1 86679329 572971046 /nfs/dbraw/zinc/97/10/46/572971046.db2.gz JALADCVRADLPHO-NSHDSACASA-N 2 1 184.327 1.558 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[NH+]1CC(C(C)C)C1 86679100 572971080 /nfs/dbraw/zinc/97/10/80/572971080.db2.gz OBRAENXQCZSRCJ-LBPRGKRZSA-N 2 1 198.354 1.948 10 0 ADAEMP CCC1C[NH+]([C@@H](C[NH3+])CC(C)C)C1 86679075 572971090 /nfs/dbraw/zinc/97/10/90/572971090.db2.gz XSTUFVXXALKZGK-LLVKDONJSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1C[NH+](C[C@@H]([NH3+])C(C)C)C1 86679331 572971111 /nfs/dbraw/zinc/97/11/11/572971111.db2.gz JALADCVRADLPHO-LLVKDONJSA-N 2 1 184.327 1.558 10 0 ADAEMP CCC1C[NH+](C[C@H]([NH3+])C(C)C)C1 86679303 572971378 /nfs/dbraw/zinc/97/13/78/572971378.db2.gz FVWOWKSXCBHNRT-JTQLQIEISA-N 2 1 170.300 1.312 10 0 ADAEMP CCC(CC)(C[NH3+])[NH+]1CC(C)(C)C1 86679156 572971451 /nfs/dbraw/zinc/97/14/51/572971451.db2.gz WDJXOJDCNABEKP-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[NH+]1CC(C(C)(C)C)C1 86679337 572971487 /nfs/dbraw/zinc/97/14/87/572971487.db2.gz KDJDKUNVXDEXNH-NSHDSACASA-N 2 1 198.354 1.948 10 0 ADAEMP CCC1C[NH+]([C@H](C[NH3+])CC(C)C)C1 86679074 572971924 /nfs/dbraw/zinc/97/19/24/572971924.db2.gz XSTUFVXXALKZGK-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP CCC1C[NH+]([C@@H](C[NH3+])C(C)C)C1 86679755 572973836 /nfs/dbraw/zinc/97/38/36/572973836.db2.gz OOQMJJWSPHTKTN-JTQLQIEISA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H]([NH3+])C[NH+]1CC(C(C)(C)C)C1 86678977 572972000 /nfs/dbraw/zinc/97/20/00/572972000.db2.gz HANKYEYNCJQYGO-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])C[NH+]1CC(C(C)C)C1 86678971 572972035 /nfs/dbraw/zinc/97/20/35/572972035.db2.gz MSPNVDNJVGHCKL-SNVBAGLBSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H](CN)[N@@H+]1CC[C@@H]1C 86679091 572972044 /nfs/dbraw/zinc/97/20/44/572972044.db2.gz AZWYFYHHJXOPAK-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](CN)[N@H+]1CC[C@@H]1C 86679091 572972045 /nfs/dbraw/zinc/97/20/45/572972045.db2.gz AZWYFYHHJXOPAK-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[N@@H+]1CC[C@@H]1C 86679091 572972046 /nfs/dbraw/zinc/97/20/46/572972046.db2.gz AZWYFYHHJXOPAK-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[N@H+]1CC[C@@H]1C 86679091 572972047 /nfs/dbraw/zinc/97/20/47/572972047.db2.gz AZWYFYHHJXOPAK-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C1C[NH+]([C@@H](C[NH3+])C(C)C)C1 86679776 572972324 /nfs/dbraw/zinc/97/23/24/572972324.db2.gz LSVGFIXEISMDOJ-NSHDSACASA-N 2 1 184.327 1.558 10 0 ADAEMP CC(C)(C)C1C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679591 572972376 /nfs/dbraw/zinc/97/23/76/572972376.db2.gz JXRFOKGSMFLWON-NSHDSACASA-N 2 1 196.338 1.702 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86679704 572972424 /nfs/dbraw/zinc/97/24/24/572972424.db2.gz JWTZLRHUFYCWMY-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CCC1C[NH+]([C@H](C[NH3+])C(C)C)C1 86679756 572972503 /nfs/dbraw/zinc/97/25/03/572972503.db2.gz OOQMJJWSPHTKTN-SNVBAGLBSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[C@H](C[NH3+])[NH+]1CC(CC)C1 86679693 572972553 /nfs/dbraw/zinc/97/25/53/572972553.db2.gz ZJXRJEBWMZLVOO-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C[NH3+])[NH+]1CC(C(C)C)C1 86679651 572972611 /nfs/dbraw/zinc/97/26/11/572972611.db2.gz SWZODWCMBYTPAL-SNVBAGLBSA-N 2 1 170.300 1.312 10 0 ADAEMP CCCC1C[NH+]([C@H](C[NH3+])C(C)C)C1 86679753 572972652 /nfs/dbraw/zinc/97/26/52/572972652.db2.gz TTXNJGXTCWSSBZ-LLVKDONJSA-N 2 1 184.327 1.702 10 0 ADAEMP CCCC1C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679557 572972665 /nfs/dbraw/zinc/97/26/65/572972665.db2.gz KUTOIQILRXGFMW-NSHDSACASA-N 2 1 182.311 1.456 10 0 ADAEMP CCCC1C[NH+]([C@H](C[NH3+])C2CC2)C1 86679560 572972799 /nfs/dbraw/zinc/97/27/99/572972799.db2.gz KUTOIQILRXGFMW-LLVKDONJSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH+]1CC(CC)C1 86679690 572972824 /nfs/dbraw/zinc/97/28/24/572972824.db2.gz ZJXRJEBWMZLVOO-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH+]1CC(C(C)(C)C)C1 86679784 572972828 /nfs/dbraw/zinc/97/28/28/572972828.db2.gz HGVZTFAZHFAFEY-LLVKDONJSA-N 2 1 198.354 1.948 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH+]1CC(C(C)C)C1 86679711 572972845 /nfs/dbraw/zinc/97/28/45/572972845.db2.gz PLKFJWYBWKUPGF-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH+]1CC(C(C)(C)C)C1 86679785 572972908 /nfs/dbraw/zinc/97/29/08/572972908.db2.gz HGVZTFAZHFAFEY-NSHDSACASA-N 2 1 198.354 1.948 10 0 ADAEMP CCC[C@H](C[NH3+])[NH+]1CC(C(C)C)C1 86679713 572972919 /nfs/dbraw/zinc/97/29/19/572972919.db2.gz PLKFJWYBWKUPGF-LLVKDONJSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC1C[NH+]([C@H](C[NH3+])C2CC2)C1 86679563 572972932 /nfs/dbraw/zinc/97/29/32/572972932.db2.gz UXVYWMDFYGZUQD-SNVBAGLBSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]1CCCCC[NH3+] 86682366 572972955 /nfs/dbraw/zinc/97/29/55/572972955.db2.gz MGXWMNMPEIBQKG-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CCC1C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679561 572973009 /nfs/dbraw/zinc/97/30/09/572973009.db2.gz UXVYWMDFYGZUQD-JTQLQIEISA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1CC[N@H+]1CCCCC[NH3+] 86682369 572973044 /nfs/dbraw/zinc/97/30/44/572973044.db2.gz MGXWMNMPEIBQKG-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@@H](C[NH3+])[NH+]1CC(C(C)(C)C)C1 86679656 572973130 /nfs/dbraw/zinc/97/31/30/572973130.db2.gz KQHDMIFBBBGNBN-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CCCC1C[NH+]([C@H](CC)C[NH3+])C1 86679624 572973166 /nfs/dbraw/zinc/97/31/66/572973166.db2.gz OHGVSGHLTAMEFU-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C[NH3+])[NH+]1CC(C(C)C)C1 86679649 572973324 /nfs/dbraw/zinc/97/33/24/572973324.db2.gz SWZODWCMBYTPAL-JTQLQIEISA-N 2 1 170.300 1.312 10 0 ADAEMP CCCC1C[NH+]([C@H](C[NH3+])CCC)C1 86679687 572973368 /nfs/dbraw/zinc/97/33/68/572973368.db2.gz NPECZCOFWYAIQP-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C1C[NH+]([C@@H](C[NH3+])C2CC2)C1 86679583 572973379 /nfs/dbraw/zinc/97/33/79/572973379.db2.gz MGAFEWHHGGZSPB-NSHDSACASA-N 2 1 182.311 1.312 10 0 ADAEMP CCCC1C[NH+]([C@@H](CC)C[NH3+])C1 86679621 572973441 /nfs/dbraw/zinc/97/34/41/572973441.db2.gz OHGVSGHLTAMEFU-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC1C[NH+]([C@@H](C[NH3+])CCC)C1 86679689 572973541 /nfs/dbraw/zinc/97/35/41/572973541.db2.gz NPECZCOFWYAIQP-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)C1C[NH+]([C@H](C[NH3+])C2CC2)C1 86679593 572973612 /nfs/dbraw/zinc/97/36/12/572973612.db2.gz JXRFOKGSMFLWON-LLVKDONJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@H](C[NH3+])[NH+]1CC(C(C)(C)C)C1 86679658 572973639 /nfs/dbraw/zinc/97/36/39/572973639.db2.gz KQHDMIFBBBGNBN-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1C[NH+]([C@H](C[NH3+])C(C)C)C1 86679778 572973651 /nfs/dbraw/zinc/97/36/51/572973651.db2.gz LSVGFIXEISMDOJ-LLVKDONJSA-N 2 1 184.327 1.558 10 0 ADAEMP CCC[C@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86679706 572973688 /nfs/dbraw/zinc/97/36/88/572973688.db2.gz JWTZLRHUFYCWMY-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CCC1(CC)C[NH+]([C@H](C[NH3+])C2CC2)C1 86679570 572973799 /nfs/dbraw/zinc/97/37/99/572973799.db2.gz JRLPSOFAAWFJBG-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC1C[NH+]([C@@H](C[NH3+])C(C)C)C1 86679751 572973917 /nfs/dbraw/zinc/97/39/17/572973917.db2.gz TTXNJGXTCWSSBZ-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1C[NH+]([C@H](C[NH3+])C2CC2)C1 86679585 572973924 /nfs/dbraw/zinc/97/39/24/572973924.db2.gz MGAFEWHHGGZSPB-LLVKDONJSA-N 2 1 182.311 1.312 10 0 ADAEMP CCCCCC[NH2+][C@H]1CC[NH2+]C1 86725441 572974733 /nfs/dbraw/zinc/97/47/33/572974733.db2.gz VKZVGEDIVRBEME-JTQLQIEISA-N 2 1 170.300 1.518 10 0 ADAEMP CCCCCC[NH2+][C@@H]1CC[NH2+]C1 86725438 572974761 /nfs/dbraw/zinc/97/47/61/572974761.db2.gz VKZVGEDIVRBEME-SNVBAGLBSA-N 2 1 170.300 1.518 10 0 ADAEMP CCc1ccc(C[NH2+]CCC[NH3+])nc1 86734479 572976751 /nfs/dbraw/zinc/97/67/51/572976751.db2.gz HXXXTUXALVUJMX-UHFFFAOYSA-N 2 1 193.294 1.082 10 0 ADAEMP CC[C@@H](CCCc1[nH+]ccn1C)[NH2+]C 86754120 572977550 /nfs/dbraw/zinc/97/75/50/572977550.db2.gz WTCKITLZOCCUOA-JTQLQIEISA-N 2 1 195.310 1.741 10 0 ADAEMP CC[C@@H](Cc1[nH+]ccn1C)[C@@H](C)[NH2+]C 689610541 572977445 /nfs/dbraw/zinc/97/74/45/572977445.db2.gz SLWOEBUSOIYDDX-ZJUUUORDSA-N 2 1 195.310 1.597 10 0 ADAEMP Cn1cc[nH+]c1CCC[C@@H]([NH3+])C1CC1 86753940 572977494 /nfs/dbraw/zinc/97/74/94/572977494.db2.gz ZIVDVYSBNFGMDS-SNVBAGLBSA-N 2 1 193.294 1.480 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)[C@H](C)C1 51732113 572977534 /nfs/dbraw/zinc/97/75/34/572977534.db2.gz QUAZAMGVYPOELE-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])CCCc1[nH+]ccn1C 86753824 572977596 /nfs/dbraw/zinc/97/75/96/572977596.db2.gz VEKLTANXCOAEAA-QMMMGPOBSA-N 2 1 167.256 1.090 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CC[C@@H](C)C[C@H]1C 51730009 572978704 /nfs/dbraw/zinc/97/87/04/572978704.db2.gz RXGSCAIQFDGHCN-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]([NH3+])CCCc1[nH+]ccn1C 86753911 572977784 /nfs/dbraw/zinc/97/77/84/572977784.db2.gz HFZMSOFSKSZDPG-VIFPVBQESA-N 2 1 181.283 1.480 10 0 ADAEMP C[NH2+][C@H](C)CCCc1[nH+]ccn1C 86753999 572977677 /nfs/dbraw/zinc/97/76/77/572977677.db2.gz JRJGWANREWSVMI-SECBINFHSA-N 2 1 181.283 1.351 10 0 ADAEMP C[NH2+]C[C@@H](C)CCc1[nH+]ccn1C 86754188 572977708 /nfs/dbraw/zinc/97/77/08/572977708.db2.gz SFROGAXMAUUAGH-VIFPVBQESA-N 2 1 181.283 1.208 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)[C@H](C)C1 51732115 572977744 /nfs/dbraw/zinc/97/77/44/572977744.db2.gz QUAZAMGVYPOELE-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCn1cc[nH+]c1CC[C@H](C)C[NH2+]C 86754195 572977767 /nfs/dbraw/zinc/97/77/67/572977767.db2.gz JNORTFCLUAOTNT-JTQLQIEISA-N 2 1 195.310 1.691 10 0 ADAEMP CCn1cc[nH+]c1CC[C@H](C)C[NH3+] 86754181 572977803 /nfs/dbraw/zinc/97/78/03/572977803.db2.gz HQXIKJNOWUDKPH-VIFPVBQESA-N 2 1 181.283 1.430 10 0 ADAEMP CC[NH2+][C@@H](C)CCCc1[nH+]ccn1C 86754008 572977908 /nfs/dbraw/zinc/97/79/08/572977908.db2.gz AQZDDWVHBXWWMV-JTQLQIEISA-N 2 1 195.310 1.741 10 0 ADAEMP C[NH2+][C@@H](C)C[C@@H](C)Cc1[nH+]ccn1C 86754286 572978711 /nfs/dbraw/zinc/97/87/11/572978711.db2.gz OKDPRBZWKKJLLA-ZJUUUORDSA-N 2 1 195.310 1.597 10 0 ADAEMP CCC[NH2+]CCCCc1[nH+]ccn1C 86753965 572978023 /nfs/dbraw/zinc/97/80/23/572978023.db2.gz PMVXTYMECSUZEL-UHFFFAOYSA-N 2 1 195.310 1.742 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)Cc1[nH+]ccn1C 86754260 572978035 /nfs/dbraw/zinc/97/80/35/572978035.db2.gz JGLJZDNBXDJNOI-IUCAKERBSA-N 2 1 181.283 1.336 10 0 ADAEMP C[NH2+][C@@H](C)C[C@H](C)Cc1[nH+]ccn1C 86754287 572978042 /nfs/dbraw/zinc/97/80/42/572978042.db2.gz OKDPRBZWKKJLLA-UWVGGRQHSA-N 2 1 195.310 1.597 10 0 ADAEMP CC[C@@H]([NH3+])CCCc1[nH+]ccn1C 86753913 572978047 /nfs/dbraw/zinc/97/80/47/572978047.db2.gz HFZMSOFSKSZDPG-SECBINFHSA-N 2 1 181.283 1.480 10 0 ADAEMP C[C@H](Cc1[nH+]ccn1C)C[C@@H](C)[NH3+] 86754255 572978070 /nfs/dbraw/zinc/97/80/70/572978070.db2.gz JGLJZDNBXDJNOI-DTWKUNHWSA-N 2 1 181.283 1.336 10 0 ADAEMP Cn1cc[nH+]c1CCCC[NH2+]C1CC1 86753977 572978079 /nfs/dbraw/zinc/97/80/79/572978079.db2.gz NBSLMSRALLVGMM-UHFFFAOYSA-N 2 1 193.294 1.495 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)C[C@H](C)[NH3+] 86754268 572978721 /nfs/dbraw/zinc/97/87/21/572978721.db2.gz NPMUXDMWCGMAJI-ZJUUUORDSA-N 2 1 195.310 1.819 10 0 ADAEMP CCCn1cc[nH+]c1CCC[C@H](C)[NH3+] 86753821 572978195 /nfs/dbraw/zinc/97/81/95/572978195.db2.gz MOGRDGKPWMDLKD-JTQLQIEISA-N 2 1 195.310 1.963 10 0 ADAEMP CC[NH2+]CCCCc1[nH+]ccn1C 86753959 572978723 /nfs/dbraw/zinc/97/87/23/572978723.db2.gz ADKOTTCGVCMPDR-UHFFFAOYSA-N 2 1 181.283 1.352 10 0 ADAEMP CC[NH2+][C@H](C)CCCc1[nH+]ccn1C 86754010 572978232 /nfs/dbraw/zinc/97/82/32/572978232.db2.gz AQZDDWVHBXWWMV-SNVBAGLBSA-N 2 1 195.310 1.741 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)Cc1[nH+]ccn1C 86754253 572978258 /nfs/dbraw/zinc/97/82/58/572978258.db2.gz JGLJZDNBXDJNOI-RKDXNWHRSA-N 2 1 181.283 1.336 10 0 ADAEMP CCCn1cc[nH+]c1CCCC[NH2+]C 86753953 572978261 /nfs/dbraw/zinc/97/82/61/572978261.db2.gz INFJXEVPEFUHAX-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP CC[C@H](Cc1[nH+]ccn1C)[C@H](C)[NH2+]C 689610522 572978263 /nfs/dbraw/zinc/97/82/63/572978263.db2.gz SLWOEBUSOIYDDX-VHSXEESVSA-N 2 1 195.310 1.597 10 0 ADAEMP CC(C)[C@H]([NH3+])CCCc1[nH+]ccn1C 86753924 572978272 /nfs/dbraw/zinc/97/82/72/572978272.db2.gz AKRUOYNTJGKNMS-SNVBAGLBSA-N 2 1 195.310 1.726 10 0 ADAEMP CCn1cc[nH+]c1CCCC[NH2+]C 86753956 572978280 /nfs/dbraw/zinc/97/82/80/572978280.db2.gz NSQDDSGYWFQGLY-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP C[NH2+][C@H](C)C[C@@H](C)Cc1[nH+]ccn1C 86754280 572978284 /nfs/dbraw/zinc/97/82/84/572978284.db2.gz OKDPRBZWKKJLLA-NXEZZACHSA-N 2 1 195.310 1.597 10 0 ADAEMP CCn1cc[nH+]c1CCC[C@H](C)[NH2+]C 86754003 572978308 /nfs/dbraw/zinc/97/83/08/572978308.db2.gz JWMRBJWIGUDVCV-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CCn1cc[nH+]c1CCC[C@@H](C)[NH2+]C 86754000 572978483 /nfs/dbraw/zinc/97/84/83/572978483.db2.gz JWMRBJWIGUDVCV-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CC[NH2+]CCCCc1[nH+]ccn1CC 86753961 572978521 /nfs/dbraw/zinc/97/85/21/572978521.db2.gz PUMMEHFOSLOTMD-UHFFFAOYSA-N 2 1 195.310 1.835 10 0 ADAEMP C[NH2+][C@@H](C)CCCc1[nH+]ccn1C 86753997 572978562 /nfs/dbraw/zinc/97/85/62/572978562.db2.gz JRJGWANREWSVMI-VIFPVBQESA-N 2 1 181.283 1.351 10 0 ADAEMP C[NH2+]C[C@H](C)CCc1[nH+]ccn1C 86754190 572978574 /nfs/dbraw/zinc/97/85/74/572978574.db2.gz SFROGAXMAUUAGH-SECBINFHSA-N 2 1 181.283 1.208 10 0 ADAEMP C[C@@H]([NH3+])CC(C)(C)Cc1[nH+]ccn1C 86754328 572978584 /nfs/dbraw/zinc/97/85/84/572978584.db2.gz WHCLMENXZASFKB-SECBINFHSA-N 2 1 195.310 1.726 10 0 ADAEMP CCn1cc[nH+]c1CC[C@@H](C)C[NH2+]C 86754192 572978601 /nfs/dbraw/zinc/97/86/01/572978601.db2.gz JNORTFCLUAOTNT-SNVBAGLBSA-N 2 1 195.310 1.691 10 0 ADAEMP C[C@H]([NH3+])CC(C)(C)Cc1[nH+]ccn1C 86754325 572978609 /nfs/dbraw/zinc/97/86/09/572978609.db2.gz WHCLMENXZASFKB-VIFPVBQESA-N 2 1 195.310 1.726 10 0 ADAEMP CCCn1cc[nH+]c1CCC[C@@H](C)[NH3+] 86753819 572978747 /nfs/dbraw/zinc/97/87/47/572978747.db2.gz MOGRDGKPWMDLKD-SNVBAGLBSA-N 2 1 195.310 1.963 10 0 ADAEMP CCC[C@@H]([NH3+])CCCc1[nH+]ccn1C 86753887 572978767 /nfs/dbraw/zinc/97/87/67/572978767.db2.gz GGYCNTLMUPUVSZ-SNVBAGLBSA-N 2 1 195.310 1.870 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)C[C@@H](C)[NH3+] 86754263 572978791 /nfs/dbraw/zinc/97/87/91/572978791.db2.gz NPMUXDMWCGMAJI-NXEZZACHSA-N 2 1 195.310 1.819 10 0 ADAEMP CCn1cc[nH+]c1CCC[C@H](C)[NH3+] 86753829 572978845 /nfs/dbraw/zinc/97/88/45/572978845.db2.gz IOIBGSOVSJIOJF-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@H](C)C[NH3+] 86754172 572978868 /nfs/dbraw/zinc/97/88/68/572978868.db2.gz VLLFMWFNCAHSPR-JTQLQIEISA-N 2 1 195.310 1.821 10 0 ADAEMP CC(C)[NH2+]CCCCc1[nH+]ccn1C 86753971 572978920 /nfs/dbraw/zinc/97/89/20/572978920.db2.gz OAQAFHBPNVDMBC-UHFFFAOYSA-N 2 1 195.310 1.741 10 0 ADAEMP CCn1cc[nH+]c1CCC[C@@H](C)[NH3+] 86753827 572978982 /nfs/dbraw/zinc/97/89/82/572978982.db2.gz IOIBGSOVSJIOJF-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](C)C[C@@H](C)[NH3+] 86754262 572979211 /nfs/dbraw/zinc/97/92/11/572979211.db2.gz NPMUXDMWCGMAJI-VHSXEESVSA-N 2 1 195.310 1.819 10 0 ADAEMP CCCn1cc[nH+]c1CCCC[NH3+] 86753813 572979041 /nfs/dbraw/zinc/97/90/41/572979041.db2.gz BQFSYWLPUYMJNT-UHFFFAOYSA-N 2 1 181.283 1.575 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)Cc1[nH+]ccn1C 86754258 572979078 /nfs/dbraw/zinc/97/90/78/572979078.db2.gz JGLJZDNBXDJNOI-BDAKNGLRSA-N 2 1 181.283 1.336 10 0 ADAEMP CC[C@H](CCCc1[nH+]ccn1C)[NH2+]C 86754122 572979082 /nfs/dbraw/zinc/97/90/82/572979082.db2.gz WTCKITLZOCCUOA-SNVBAGLBSA-N 2 1 195.310 1.741 10 0 ADAEMP CC[NH2+]C[C@H](C)CCc1[nH+]ccn1C 86754204 572979224 /nfs/dbraw/zinc/97/92/24/572979224.db2.gz BMPFGADENOIMTQ-SNVBAGLBSA-N 2 1 195.310 1.598 10 0 ADAEMP CCCn1cc[nH+]c1CC[C@@H](C)C[NH3+] 86754170 572979182 /nfs/dbraw/zinc/97/91/82/572979182.db2.gz VLLFMWFNCAHSPR-SNVBAGLBSA-N 2 1 195.310 1.821 10 0 ADAEMP CCn1cc[nH+]c1CC[C@@H](C)C[NH3+] 86754179 572979372 /nfs/dbraw/zinc/97/93/72/572979372.db2.gz HQXIKJNOWUDKPH-SECBINFHSA-N 2 1 181.283 1.430 10 0 ADAEMP C[C@@H]([NH3+])CCCc1[nH+]ccn1C 86753826 572979416 /nfs/dbraw/zinc/97/94/16/572979416.db2.gz VEKLTANXCOAEAA-MRVPVSSYSA-N 2 1 167.256 1.090 10 0 ADAEMP CCn1cc[nH+]c1CCCC[NH3+] 86753818 572979462 /nfs/dbraw/zinc/97/94/62/572979462.db2.gz LDCOJOOQHXLQSJ-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP CCC([NH3+])(CC)C[N@@H+](C)CC1CC1 86814438 572980147 /nfs/dbraw/zinc/98/01/47/572980147.db2.gz XRGQVJMGSWHRAI-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+](C)[C@@H](C)COC 86809644 572982664 /nfs/dbraw/zinc/98/26/64/572982664.db2.gz IDAFUFCIEQSAEP-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)[C@@H](C)COC 86809644 572982665 /nfs/dbraw/zinc/98/26/65/572982665.db2.gz IDAFUFCIEQSAEP-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@](C)(N)C[N@@H+](C)[C@@H](C)C1CC1 86809138 572981820 /nfs/dbraw/zinc/98/18/20/572981820.db2.gz LBPSZGKUFQVKLS-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@](C)(N)C[N@@H+](C)CC(C)C 86809037 572981972 /nfs/dbraw/zinc/98/19/72/572981972.db2.gz YZYQSHZIEHXGCM-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[C@@](C)(N)C[N@@H+](C)CC1CCC1 86810237 572982056 /nfs/dbraw/zinc/98/20/56/572982056.db2.gz LRLACYNWWLIJES-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@](C)([NH3+])C[NH2+]Cc1ccsc1 86810367 572982652 /nfs/dbraw/zinc/98/26/52/572982652.db2.gz GKOKDAOAZWQIRZ-SNVBAGLBSA-N 2 1 198.335 1.965 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@](C)(N)CC 86810475 572982157 /nfs/dbraw/zinc/98/21/57/572982157.db2.gz UCIMCAOOLDTRQI-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@](C)(N)C[N@@H+](C)C1CCCC1 86809005 572982222 /nfs/dbraw/zinc/98/22/22/572982222.db2.gz KGZRIKQONJSZKC-NSHDSACASA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@](C)(N)C[N@@H+](C)CC1CCC1 86810235 572982277 /nfs/dbraw/zinc/98/22/77/572982277.db2.gz LRLACYNWWLIJES-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@](C)([NH3+])C[N@H+](C)[C@@H](C)COC 86809642 572982298 /nfs/dbraw/zinc/98/22/98/572982298.db2.gz IDAFUFCIEQSAEP-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)[C@@H](C)COC 86809642 572982299 /nfs/dbraw/zinc/98/22/99/572982299.db2.gz IDAFUFCIEQSAEP-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@H+](CCOC)C[C@@](C)([NH3+])CC 86809618 572982346 /nfs/dbraw/zinc/98/23/46/572982346.db2.gz REOLJLRVOPPNOL-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](CCOC)C[C@@](C)([NH3+])CC 86809618 572982347 /nfs/dbraw/zinc/98/23/47/572982347.db2.gz REOLJLRVOPPNOL-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[C@@](C)([NH3+])C[NH2+]Cc1cccs1 86809268 572982395 /nfs/dbraw/zinc/98/23/95/572982395.db2.gz VSKFQQNJJZPOPU-SNVBAGLBSA-N 2 1 198.335 1.965 10 0 ADAEMP CC[C@@](C)([NH3+])C[NH2+]CCC(F)(F)F 86810346 572982494 /nfs/dbraw/zinc/98/24/94/572982494.db2.gz ZXQBGMNEYHDTDF-SSDOTTSWSA-N 2 1 198.232 1.656 10 0 ADAEMP CC[C@@](C)(N)C[N@@H+](C)C1CCCC1 86809009 572982543 /nfs/dbraw/zinc/98/25/43/572982543.db2.gz KGZRIKQONJSZKC-LLVKDONJSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@](C)([NH3+])C[NH2+]Cc1cccs1 86809264 572982565 /nfs/dbraw/zinc/98/25/65/572982565.db2.gz VSKFQQNJJZPOPU-JTQLQIEISA-N 2 1 198.335 1.965 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@](C)(N)CC 86809040 572982628 /nfs/dbraw/zinc/98/26/28/572982628.db2.gz YUDSPYCBEZIRLW-NXEZZACHSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[N@@H+](C[C@](C)(N)CC)C(C)C 86808996 572982701 /nfs/dbraw/zinc/98/27/01/572982701.db2.gz COTNQXGDKXPVHV-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@@](C)(N)C[N@@H+](C)[C@@H](C)C1CC1 86809141 572982940 /nfs/dbraw/zinc/98/29/40/572982940.db2.gz LBPSZGKUFQVKLS-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@](C)(N)CC 86809042 572983122 /nfs/dbraw/zinc/98/31/22/572983122.db2.gz YUDSPYCBEZIRLW-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@](C)([NH3+])C[NH2+]CCC(F)(F)F 86810343 572983166 /nfs/dbraw/zinc/98/31/66/572983166.db2.gz ZXQBGMNEYHDTDF-ZETCQYMHSA-N 2 1 198.232 1.656 10 0 ADAEMP CCC[N@@H+](CC)C[C@](C)(N)CC 86809012 572983196 /nfs/dbraw/zinc/98/31/96/572983196.db2.gz FVJUWWGNSQBDRP-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@@](C)(N)C[N@@H+](CC1CC1)C1CC1 86810600 572983233 /nfs/dbraw/zinc/98/32/33/572983233.db2.gz UWVLCPQOJOBBAM-GFCCVEGCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@](C)(N)CC 86810469 572983266 /nfs/dbraw/zinc/98/32/66/572983266.db2.gz UCIMCAOOLDTRQI-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C[C@@](C)(N)CC)C(C)C 86808993 572983274 /nfs/dbraw/zinc/98/32/74/572983274.db2.gz COTNQXGDKXPVHV-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[N@@H+](CC)C[C@@](C)(N)CC 86809017 572983317 /nfs/dbraw/zinc/98/33/17/572983317.db2.gz FVJUWWGNSQBDRP-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@](C)(N)C[N@@H+](CC1CC1)C1CC1 86810597 572983339 /nfs/dbraw/zinc/98/33/39/572983339.db2.gz UWVLCPQOJOBBAM-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@](C)(N)C[N@@H+](C)C[C@@H]1C[C@@H]1C 86810463 572983422 /nfs/dbraw/zinc/98/34/22/572983422.db2.gz RNTZLHSVURSHOO-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@](C)(N)C[N@@H+](C)CC(C)C 86809035 572983485 /nfs/dbraw/zinc/98/34/85/572983485.db2.gz YZYQSHZIEHXGCM-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP CC[N@H+](CCOC)C[C@](C)([NH3+])CC 86809621 572983507 /nfs/dbraw/zinc/98/35/07/572983507.db2.gz REOLJLRVOPPNOL-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](CCOC)C[C@](C)([NH3+])CC 86809621 572983509 /nfs/dbraw/zinc/98/35/09/572983509.db2.gz REOLJLRVOPPNOL-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC([NH3+])(CC)C[N@H+](C)C1CC1 86814323 572984092 /nfs/dbraw/zinc/98/40/92/572984092.db2.gz BLQOOXIVNWHWJX-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC([NH3+])(CC)C[N@@H+](C)C1CC1 86814323 572984094 /nfs/dbraw/zinc/98/40/94/572984094.db2.gz BLQOOXIVNWHWJX-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]CCN(C)c1cc[nH+]cc1Cl 86832982 572984613 /nfs/dbraw/zinc/98/46/13/572984613.db2.gz GMFWMPSDHQPNNV-UHFFFAOYSA-N 2 1 199.685 1.391 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)n1c[nH+]c(C)c1C 51926418 572985040 /nfs/dbraw/zinc/98/50/40/572985040.db2.gz IPIFFJJNPTVZLD-VHSXEESVSA-N 2 1 181.283 1.798 10 0 ADAEMP CCC([NH3+])(CC)C[N@H+]1CC[C@@H](C)C1 86814480 572985063 /nfs/dbraw/zinc/98/50/63/572985063.db2.gz BPGRCYHXINSHMC-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCCC[C@@H]2[NH3+])c1C 51926492 572985424 /nfs/dbraw/zinc/98/54/24/572985424.db2.gz GYMSMRITEKPIKC-QWRGUYRKSA-N 2 1 193.294 1.942 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)n1c[nH+]c(C)c1C 51926416 572985436 /nfs/dbraw/zinc/98/54/36/572985436.db2.gz IPIFFJJNPTVZLD-NXEZZACHSA-N 2 1 181.283 1.798 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])n1c[nH+]c(C)c1C 51927165 572985570 /nfs/dbraw/zinc/98/55/70/572985570.db2.gz ATRSMAWQWPOQFM-QMMMGPOBSA-N 2 1 180.255 1.387 10 0 ADAEMP CC[C@@H]([NH3+])Cn1c[nH+]c(C)c1C 51926271 572985677 /nfs/dbraw/zinc/98/56/77/572985677.db2.gz ZRTCTCCOXSGBJH-SECBINFHSA-N 2 1 167.256 1.237 10 0 ADAEMP Cc1[nH+]cn(C[C@H]([NH3+])C(C)(C)C)c1C 51926513 572985874 /nfs/dbraw/zinc/98/58/74/572985874.db2.gz ALNCMCPSTBCMMN-JTQLQIEISA-N 2 1 195.310 1.873 10 0 ADAEMP Cc1[nH+]cn(C[C@@H]([NH3+])C(C)(C)C)c1C 51926514 572985894 /nfs/dbraw/zinc/98/58/94/572985894.db2.gz ALNCMCPSTBCMMN-SNVBAGLBSA-N 2 1 195.310 1.873 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]c(C)c1C 51926270 572985924 /nfs/dbraw/zinc/98/59/24/572985924.db2.gz ZRTCTCCOXSGBJH-VIFPVBQESA-N 2 1 167.256 1.237 10 0 ADAEMP Cc1[nH+]cn(CCC[C@@H](C)[NH3+])c1C 51926298 572985946 /nfs/dbraw/zinc/98/59/46/572985946.db2.gz VGLNYAOUOFHHKB-MRVPVSSYSA-N 2 1 181.283 1.627 10 0 ADAEMP Cc1[nH+]cn(CC[NH2+]C(C)C)c1C 51926302 572985984 /nfs/dbraw/zinc/98/59/84/572985984.db2.gz HBEFNMSVRARRTG-UHFFFAOYSA-N 2 1 181.283 1.498 10 0 ADAEMP CCC([NH3+])(CC)C[N@H+](C)CCOC 86814510 572985989 /nfs/dbraw/zinc/98/59/89/572985989.db2.gz LVMJVQCMXQPVHJ-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC([NH3+])(CC)C[N@@H+](C)CCOC 86814510 572985991 /nfs/dbraw/zinc/98/59/91/572985991.db2.gz LVMJVQCMXQPVHJ-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCCC[C@H]2[NH3+])c1C 51926493 572986085 /nfs/dbraw/zinc/98/60/85/572986085.db2.gz GYMSMRITEKPIKC-GHMZBOCLSA-N 2 1 193.294 1.942 10 0 ADAEMP Cc1[nH+]cn(CC[C@H](C)[NH3+])c1C 51926500 572986220 /nfs/dbraw/zinc/98/62/20/572986220.db2.gz IUSMUGKTIMNRDF-ZETCQYMHSA-N 2 1 167.256 1.237 10 0 ADAEMP CCC([NH3+])(CC)C[N@H+]1CC[C@H](C)C1 86814478 572986254 /nfs/dbraw/zinc/98/62/54/572986254.db2.gz BPGRCYHXINSHMC-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)n1c[nH+]c(C)c1C 51926417 572986289 /nfs/dbraw/zinc/98/62/89/572986289.db2.gz IPIFFJJNPTVZLD-UWVGGRQHSA-N 2 1 181.283 1.798 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)n1c[nH+]c(C)c1C 51926415 572986313 /nfs/dbraw/zinc/98/63/13/572986313.db2.gz IPIFFJJNPTVZLD-ZJUUUORDSA-N 2 1 181.283 1.798 10 0 ADAEMP CC[C@H](C(N)=[NH2+])n1c[nH+]c(C)c1C 51927166 572986470 /nfs/dbraw/zinc/98/64/70/572986470.db2.gz ATRSMAWQWPOQFM-MRVPVSSYSA-N 2 1 180.255 1.387 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)CC(N)=[NH2+])c1C 51927160 572986477 /nfs/dbraw/zinc/98/64/77/572986477.db2.gz VUZJPZJIGUHZTE-LURJTMIESA-N 2 1 180.255 1.387 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCCC[C@H]2[NH3+])c1C 51926494 572986514 /nfs/dbraw/zinc/98/65/14/572986514.db2.gz GYMSMRITEKPIKC-MNOVXSKESA-N 2 1 193.294 1.942 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCCC[C@@H]2[NH3+])c1C 51926491 572986598 /nfs/dbraw/zinc/98/65/98/572986598.db2.gz GYMSMRITEKPIKC-WDEREUQCSA-N 2 1 193.294 1.942 10 0 ADAEMP Cc1[nH+]cn([C@H](C)CC(N)=[NH2+])c1C 51927161 572986645 /nfs/dbraw/zinc/98/66/45/572986645.db2.gz VUZJPZJIGUHZTE-ZCFIWIBFSA-N 2 1 180.255 1.387 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1C/C=C\C[NH3+] 258206263 572992703 /nfs/dbraw/zinc/99/27/03/572992703.db2.gz NSYZYXMPTOOYOD-USEMIUTHSA-N 2 1 182.311 1.766 10 0 ADAEMP CC[N@@H+]1CCC=C(C[NH2+]C2CC2)C1 258206223 572992721 /nfs/dbraw/zinc/99/27/21/572992721.db2.gz UYMGFTNFFIQRLE-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC[N@H+]1CCC=C(C[NH2+]C2CC2)C1 258206223 572992723 /nfs/dbraw/zinc/99/27/23/572992723.db2.gz UYMGFTNFFIQRLE-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP C[N@H+]1CC[C@@H](CC2([NH3+])CCCC2)C1 257922032 572992671 /nfs/dbraw/zinc/99/26/71/572992671.db2.gz GGVLFFWZIIRXQC-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP F[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 689831308 572993210 /nfs/dbraw/zinc/99/32/10/572993210.db2.gz UKCYARUHFRXUJB-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1[C@@]1(C)C[C@H]1C 714616013 572993238 /nfs/dbraw/zinc/99/32/38/572993238.db2.gz JIPHBGHGOANFPM-ZNSHCXBVSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1[C@@]1(C)C[C@H]1C 714616013 572993241 /nfs/dbraw/zinc/99/32/41/572993241.db2.gz JIPHBGHGOANFPM-ZNSHCXBVSA-N 2 1 182.311 1.325 10 0 ADAEMP F[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 689831418 572993463 /nfs/dbraw/zinc/99/34/63/572993463.db2.gz UKCYARUHFRXUJB-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[C@@H](C[NH3+])c1[nH]c(C)c(C)[nH+]1 258526243 572993933 /nfs/dbraw/zinc/99/39/33/572993933.db2.gz HTXCAZFBRYSJKU-QMMMGPOBSA-N 2 1 167.256 1.479 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1C/C=C\C[NH3+] 258206262 572993970 /nfs/dbraw/zinc/99/39/70/572993970.db2.gz NSYZYXMPTOOYOD-MZBZXASESA-N 2 1 182.311 1.766 10 0 ADAEMP [NH3+]C[C@@H]([NH3+])CC1Cc2ccccc2C1 104531660 572994126 /nfs/dbraw/zinc/99/41/26/572994126.db2.gz BILHCHHGXWLLQT-LBPRGKRZSA-N 2 1 190.290 1.078 10 0 ADAEMP [NH3+][C@H]1C[NH2+]CC[C@@H]1c1ccccc1F 113262814 572994499 /nfs/dbraw/zinc/99/44/99/572994499.db2.gz NFFTWVSQKKEFLY-KOLCDFICSA-N 2 1 194.253 1.230 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1[C@]1(C)C[C@@H]1C 714616014 572994555 /nfs/dbraw/zinc/99/45/55/572994555.db2.gz JIPHBGHGOANFPM-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1[C@]1(C)C[C@@H]1C 714616014 572994561 /nfs/dbraw/zinc/99/45/61/572994561.db2.gz JIPHBGHGOANFPM-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[C@H](C[NH3+])c1[nH]c(C)c(C)[nH+]1 258526240 572994704 /nfs/dbraw/zinc/99/47/04/572994704.db2.gz HTXCAZFBRYSJKU-MRVPVSSYSA-N 2 1 167.256 1.479 10 0 ADAEMP C1C[C@@H]2[C@@H]([C@@H]3CC[NH2+]C3)CC[N@H+]2C1 123401018 572994843 /nfs/dbraw/zinc/99/48/43/572994843.db2.gz LZOSQUMHBKKPFM-GMTAPVOTSA-N 2 1 180.295 1.080 10 0 ADAEMP C[N@H+]1CC[C@H](CC2([NH3+])CCCC2)C1 257922035 572994963 /nfs/dbraw/zinc/99/49/63/572994963.db2.gz GGVLFFWZIIRXQC-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC[C@H]1[C@H]([NH3+])CCC[N@H+]1C 238240757 572995145 /nfs/dbraw/zinc/99/51/45/572995145.db2.gz AVWUKWOGABVEPK-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP F[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 689831294 572995265 /nfs/dbraw/zinc/99/52/65/572995265.db2.gz UKCYARUHFRXUJB-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 689831302 572995499 /nfs/dbraw/zinc/99/54/99/572995499.db2.gz UKCYARUHFRXUJB-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@@H](C[N@@H+](C)CCC1CC1)[C@@H](C)[NH3+] 308219541 572996527 /nfs/dbraw/zinc/99/65/27/572996527.db2.gz KPRLMWOHLXJBCH-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CC[C@@H]1[NH+]1CCC1 308219611 572997037 /nfs/dbraw/zinc/99/70/37/572997037.db2.gz NTJCZMKBVFFQPD-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP CO[C@H](C)C[N@@H+](C)[C@H](C)C[C@@H](C)[NH3+] 308219047 572997241 /nfs/dbraw/zinc/99/72/41/572997241.db2.gz NNSTWMWMZJRAKX-OPRDCNLKSA-N 2 1 188.315 1.079 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CC[C@H]1[NH+]1CCC1 308219610 572997458 /nfs/dbraw/zinc/99/74/58/572997458.db2.gz NTJCZMKBVFFQPD-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CC[C@H]1[NH+]1CCC1 308219613 572997486 /nfs/dbraw/zinc/99/74/86/572997486.db2.gz NTJCZMKBVFFQPD-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CC[C@@H]2C[C@@H]21 308218696 572997550 /nfs/dbraw/zinc/99/75/50/572997550.db2.gz NGWREOSIFKFKHP-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CC[C@@H]1[NH+]1CCC1 308219612 572997635 /nfs/dbraw/zinc/99/76/35/572997635.db2.gz NTJCZMKBVFFQPD-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+](CCF)CCCn1ccnc1 308218302 572997681 /nfs/dbraw/zinc/99/76/81/572997681.db2.gz BCDKVAXIIIETET-UHFFFAOYSA-N 2 1 185.246 1.175 10 0 ADAEMP C1C[C@@H]2[C@H]([C@@H]3CC[NH2+]C3)CC[N@H+]2C1 123400564 572998169 /nfs/dbraw/zinc/99/81/69/572998169.db2.gz LZOSQUMHBKKPFM-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP CO[C@H](C)C[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 308219036 572998487 /nfs/dbraw/zinc/99/84/87/572998487.db2.gz NNSTWMWMZJRAKX-KXUCPTDWSA-N 2 1 188.315 1.079 10 0 ADAEMP Cc1cn(C)c(CCC2([NH3+])CC2)[nH+]1 257923663 572999545 /nfs/dbraw/zinc/99/95/45/572999545.db2.gz RULGPGNGZSIRRW-UHFFFAOYSA-N 2 1 179.267 1.152 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922504 573000336 /nfs/dbraw/zinc/00/03/36/573000336.db2.gz OGXSWHXEYMIUCA-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@H](C[C@H]2CCC[N@@H+](C)C2)C[NH2+]1 258227912 573000514 /nfs/dbraw/zinc/00/05/14/573000514.db2.gz PHWYMWALLIRGAF-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCC=C(C[C@H](C)[NH3+])C1 258210096 573000523 /nfs/dbraw/zinc/00/05/23/573000523.db2.gz VECHMXVRNIGFRL-VIFPVBQESA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H]2C[NH2+][C@H](C)C2)C1 258210301 573000558 /nfs/dbraw/zinc/00/05/58/573000558.db2.gz OAIZFZHNWHUQPO-WOPDTQHZSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]([NH3+])[C@H](C)C[N@@H+](C)CCC1CC1 308219536 573000664 /nfs/dbraw/zinc/00/06/64/573000664.db2.gz KPRLMWOHLXJBCH-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921337 573000785 /nfs/dbraw/zinc/00/07/85/573000785.db2.gz DBWXWRHFNPMSKF-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@H+]1CCC=C(C[C@@H](C)[NH3+])C1 258210094 573000864 /nfs/dbraw/zinc/00/08/64/573000864.db2.gz VECHMXVRNIGFRL-SECBINFHSA-N 2 1 168.284 1.376 10 0 ADAEMP CC1(C)CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923499 573000886 /nfs/dbraw/zinc/00/08/86/573000886.db2.gz BZQFYZAGZJAXPS-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CC[C@@H]1C[NH3+] 87923715 573000952 /nfs/dbraw/zinc/00/09/52/573000952.db2.gz BDBPNYYSXQNEKH-RKDXNWHRSA-N 2 1 165.240 1.101 10 0 ADAEMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])[C@@H]1C 87921287 573000988 /nfs/dbraw/zinc/00/09/88/573000988.db2.gz VYVBSONRNNLXJK-DDHJBXDOSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H]2C[NH2+][C@H](C)C2)C1 258210295 573001048 /nfs/dbraw/zinc/00/10/48/573001048.db2.gz OAIZFZHNWHUQPO-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H]2C[NH2+][C@H](C)C2)C1 258210292 573001150 /nfs/dbraw/zinc/00/11/50/573001150.db2.gz OAIZFZHNWHUQPO-GRYCIOLGSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@H+](C1CCCC1)[C@H]1CC[C@@H]1C[NH3+] 87921949 573001649 /nfs/dbraw/zinc/00/16/49/573001649.db2.gz NGJJRQNTYFQUBE-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H]2C[NH2+][C@H](C)C2)C1 258210298 573002007 /nfs/dbraw/zinc/00/20/07/573002007.db2.gz OAIZFZHNWHUQPO-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87922028 573002133 /nfs/dbraw/zinc/00/21/33/573002133.db2.gz YCXKSALNNBRQGW-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87921716 573002310 /nfs/dbraw/zinc/00/23/10/573002310.db2.gz PVJUKZFSEIOLJJ-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[C@H](C[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 258227910 573002320 /nfs/dbraw/zinc/00/23/20/573002320.db2.gz PHWYMWALLIRGAF-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87921686 573002462 /nfs/dbraw/zinc/00/24/62/573002462.db2.gz SREGHSRENNUKQN-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])[C@H](C)C1 87922602 573002499 /nfs/dbraw/zinc/00/24/99/573002499.db2.gz ANCWQAKFLVAHMP-DDHJBXDOSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87921499 573002518 /nfs/dbraw/zinc/00/25/18/573002518.db2.gz KGUAKBUUUXXYIF-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[C@@H]2C[NH3+])c1C 87923911 573002534 /nfs/dbraw/zinc/00/25/34/573002534.db2.gz VUYLWHOOYFMRLK-NXEZZACHSA-N 2 1 179.267 1.410 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1n1cc[nH+]c1C 87923732 573002605 /nfs/dbraw/zinc/00/26/05/573002605.db2.gz NXDOBVQMBNGIND-ZJUUUORDSA-N 2 1 179.267 1.362 10 0 ADAEMP C[N@H+](C1CCCCC1)[C@H]1CC[C@@H]1C[NH3+] 87921668 573002617 /nfs/dbraw/zinc/00/26/17/573002617.db2.gz OWJQITUVEYOAHD-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921928 573002649 /nfs/dbraw/zinc/00/26/49/573002649.db2.gz VEZAGJKVJPHXKC-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@H]1C[NH3+] 87923890 573002873 /nfs/dbraw/zinc/00/28/73/573002873.db2.gz NNURVMHPMVBEFV-IUCAKERBSA-N 2 1 179.267 1.355 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@H]1C[NH3+] 87923889 573002965 /nfs/dbraw/zinc/00/29/65/573002965.db2.gz NNURVMHPMVBEFV-DTWKUNHWSA-N 2 1 179.267 1.355 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])CC1 87923130 573002984 /nfs/dbraw/zinc/00/29/84/573002984.db2.gz QKCSRMRAFZUSNY-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1[nH+]cn([C@H]2CC[C@@H]2C[NH3+])c1C 87923912 573003144 /nfs/dbraw/zinc/00/31/44/573003144.db2.gz VUYLWHOOYFMRLK-ZJUUUORDSA-N 2 1 179.267 1.410 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CC[C@H]1C[NH3+] 87923718 573003176 /nfs/dbraw/zinc/00/31/76/573003176.db2.gz BDBPNYYSXQNEKH-IUCAKERBSA-N 2 1 165.240 1.101 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH2+]C 87921908 573003267 /nfs/dbraw/zinc/00/32/67/573003267.db2.gz ZXAGDSAPDZXCGQ-GMTAPVOTSA-N 2 1 184.327 1.715 10 0 ADAEMP CC1(C)[C@H]2CC[C@]1(C)C[N@H+](CC[NH3+])C2 238245078 573003593 /nfs/dbraw/zinc/00/35/93/573003593.db2.gz GNJQTSKQICJWLU-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](CC[NH3+])C2 238245078 573003598 /nfs/dbraw/zinc/00/35/98/573003598.db2.gz GNJQTSKQICJWLU-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[NH2+][C@@H]1[C@H](C)C[C@@H](C)[NH2+][C@@H]1C 238250496 573003693 /nfs/dbraw/zinc/00/36/93/573003693.db2.gz SWLCRBOLCWISGY-ZYUZMQFOSA-N 2 1 170.300 1.371 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[C@@H]1C[NH3+] 87921685 573003707 /nfs/dbraw/zinc/00/37/07/573003707.db2.gz SREGHSRENNUKQN-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]2C[NH3+])C[C@@H]1C 87923438 573003782 /nfs/dbraw/zinc/00/37/82/573003782.db2.gz VBNFOCFYTGWJGW-LMLFDSFASA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923378 573003910 /nfs/dbraw/zinc/00/39/10/573003910.db2.gz SEDKJBJIVYNCFK-WRWGMCAJSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](/C=C\C[NH3+])C1 258214468 573003935 /nfs/dbraw/zinc/00/39/35/573003935.db2.gz OICBCBCGBCBSTK-XOULXFPDSA-N 2 1 168.284 1.232 10 0 ADAEMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87922350 573003939 /nfs/dbraw/zinc/00/39/39/573003939.db2.gz JSHNIAXITYIBEG-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1n1cc[nH+]c1C 87923733 573005155 /nfs/dbraw/zinc/00/51/55/573005155.db2.gz NXDOBVQMBNGIND-VHSXEESVSA-N 2 1 179.267 1.362 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923388 573004112 /nfs/dbraw/zinc/00/41/12/573004112.db2.gz ZISIQOGUHNKFCT-GRYCIOLGSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1n1cc[nH+]c1C 87923734 573004319 /nfs/dbraw/zinc/00/43/19/573004319.db2.gz NXDOBVQMBNGIND-UWVGGRQHSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CC[C@@H]1C[NH3+] 87923716 573004339 /nfs/dbraw/zinc/00/43/39/573004339.db2.gz BDBPNYYSXQNEKH-BDAKNGLRSA-N 2 1 165.240 1.101 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](/C=C\C[NH3+])C1 258214467 573004637 /nfs/dbraw/zinc/00/46/37/573004637.db2.gz OICBCBCGBCBSTK-UMBAGQNISA-N 2 1 168.284 1.232 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[C@@H]1C[NH3+] 87921929 573004767 /nfs/dbraw/zinc/00/47/67/573004767.db2.gz VEZAGJKVJPHXKC-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CCCC[C@H]1C[N@H+](C)CCC[NH2+]1 238244337 573004777 /nfs/dbraw/zinc/00/47/77/573004777.db2.gz GFTMNWRZXGEPKJ-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CCCC[C@H]1C[N@@H+](C)CCC[NH2+]1 238244337 573004785 /nfs/dbraw/zinc/00/47/85/573004785.db2.gz GFTMNWRZXGEPKJ-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[N@H+](C1CCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87921948 573004887 /nfs/dbraw/zinc/00/48/87/573004887.db2.gz NGJJRQNTYFQUBE-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[C@H]2C[NH3+])c1C 87923913 573004912 /nfs/dbraw/zinc/00/49/12/573004912.db2.gz VUYLWHOOYFMRLK-VHSXEESVSA-N 2 1 179.267 1.410 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1n1c[nH+]c(C)c1C 87923922 573004934 /nfs/dbraw/zinc/00/49/34/573004934.db2.gz YZPDSHWABMIALT-QWRGUYRKSA-N 2 1 193.294 1.670 10 0 ADAEMP CC1(C)CCC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 87923281 573005112 /nfs/dbraw/zinc/00/51/12/573005112.db2.gz HUPSRRZHVKNKIC-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+](C1CCCCC1)[C@@H]1CC[C@@H]1C[NH3+] 87921667 573005194 /nfs/dbraw/zinc/00/51/94/573005194.db2.gz OWJQITUVEYOAHD-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@@H+]1C[C@@H](C)[C@@H](C)C1 87923435 573005298 /nfs/dbraw/zinc/00/52/98/573005298.db2.gz LCIWZYAOOCHADF-WRWGMCAJSA-N 2 1 196.338 1.572 10 0 ADAEMP C/C=C/CC[NH2+][C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 308472597 573005303 /nfs/dbraw/zinc/00/53/03/573005303.db2.gz JXXGYTFPKPAFAF-AMTQMWSRSA-N 2 1 194.322 1.670 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1[N@H+]1CCC(C)(C)C1 87923497 573005324 /nfs/dbraw/zinc/00/53/24/573005324.db2.gz ACLRRZKOZNPOFU-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1(C)CC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 87923500 573005364 /nfs/dbraw/zinc/00/53/64/573005364.db2.gz BZQFYZAGZJAXPS-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1n1cc[nH+]c1C 87923731 573005475 /nfs/dbraw/zinc/00/54/75/573005475.db2.gz NXDOBVQMBNGIND-NXEZZACHSA-N 2 1 179.267 1.362 10 0 ADAEMP CC1(C)CCC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 87923280 573005490 /nfs/dbraw/zinc/00/54/90/573005490.db2.gz HUPSRRZHVKNKIC-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@H+]1CCC(C)(C)C1 87923498 573005573 /nfs/dbraw/zinc/00/55/73/573005573.db2.gz ACLRRZKOZNPOFU-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+]1CC=C(C[NH2+]C2CC2)C1 258214211 573005706 /nfs/dbraw/zinc/00/57/06/573005706.db2.gz VLLZTIDZRATKEY-UHFFFAOYSA-N 2 1 166.268 1.000 10 0 ADAEMP CC[N@H+]1CC=C(C[NH2+]C2CC2)C1 258214211 573005714 /nfs/dbraw/zinc/00/57/14/573005714.db2.gz VLLZTIDZRATKEY-UHFFFAOYSA-N 2 1 166.268 1.000 10 0 ADAEMP Cc1[nH+]cn([C@H]2CC[C@H]2C[NH3+])c1C 87923914 573005731 /nfs/dbraw/zinc/00/57/31/573005731.db2.gz VUYLWHOOYFMRLK-UWVGGRQHSA-N 2 1 179.267 1.410 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 87923298 573005744 /nfs/dbraw/zinc/00/57/44/573005744.db2.gz HHURKZRZMSBECI-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC1(C[NH2+][C@H](C[NH3+])C(C)C)CC1 308220672 573005762 /nfs/dbraw/zinc/00/57/62/573005762.db2.gz ODZIUVNSBZTDLH-SNVBAGLBSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC1(C[NH2+][C@@H](C[NH3+])C(C)C)CC1 308220669 573005929 /nfs/dbraw/zinc/00/59/29/573005929.db2.gz ODZIUVNSBZTDLH-JTQLQIEISA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1n1c[nH+]c(C)c1C 87923920 573006141 /nfs/dbraw/zinc/00/61/41/573006141.db2.gz YZPDSHWABMIALT-MNOVXSKESA-N 2 1 193.294 1.670 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CC[C@H]1C[NH3+] 87923717 573006179 /nfs/dbraw/zinc/00/61/79/573006179.db2.gz BDBPNYYSXQNEKH-DTWKUNHWSA-N 2 1 165.240 1.101 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@H]1CC[C@@H]1C[NH3+] 87923095 573006579 /nfs/dbraw/zinc/00/65/79/573006579.db2.gz CSQHULQPTGCSTM-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@H]1n1c[nH+]c(C)c1C 87923919 573006236 /nfs/dbraw/zinc/00/62/36/573006236.db2.gz YZPDSHWABMIALT-GHMZBOCLSA-N 2 1 193.294 1.670 10 0 ADAEMP CC(C)([NH3+])Cc1c[nH+]cn1CCCF 308473496 573006429 /nfs/dbraw/zinc/00/64/29/573006429.db2.gz CQPWYPZCGCOTTP-UHFFFAOYSA-N 2 1 199.273 1.523 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@@H]1C[NH3+] 87923888 573006504 /nfs/dbraw/zinc/00/65/04/573006504.db2.gz NNURVMHPMVBEFV-BDAKNGLRSA-N 2 1 179.267 1.355 10 0 ADAEMP C[NH2+]C[C@H]1CC[C@@H]1[N@H+]1CCCC1(C)C 87923093 573006552 /nfs/dbraw/zinc/00/65/52/573006552.db2.gz YZDIPCIRGNYTGO-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1c[nH+]c(N)c2cccc(C[NH3+])c12 258213714 573007218 /nfs/dbraw/zinc/00/72/18/573007218.db2.gz OGSNAYHOSUFTHZ-UHFFFAOYSA-N 2 1 187.246 1.584 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 258227918 573007403 /nfs/dbraw/zinc/00/74/03/573007403.db2.gz PHWYMWALLIRGAF-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCC=C([C@H](C)[NH2+]C)C1 258216162 573007634 /nfs/dbraw/zinc/00/76/34/573007634.db2.gz VLZNKZGCQJEHEV-VIFPVBQESA-N 2 1 168.284 1.246 10 0 ADAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 308472598 573007799 /nfs/dbraw/zinc/00/77/99/573007799.db2.gz JXXGYTFPKPAFAF-JTQWRHHVSA-N 2 1 194.322 1.670 10 0 ADAEMP c1coc(CC[NH2+]C[C@@H]2CCC[NH2+]2)c1 42594225 573008448 /nfs/dbraw/zinc/00/84/48/573008448.db2.gz VKIMMXSJMLNJDJ-JTQLQIEISA-N 2 1 194.278 1.164 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@@H]1C[NH2+]C(C)(C)C1 258221765 573009270 /nfs/dbraw/zinc/00/92/70/573009270.db2.gz OWMZKISSIUSYJT-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]([NH3+])CC1CC1 308474399 573009532 /nfs/dbraw/zinc/00/95/32/573009532.db2.gz KMXURLSYUAWCOI-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@]1(C)CCC[NH2+]1 258220037 573009630 /nfs/dbraw/zinc/00/96/30/573009630.db2.gz ORDHWBAZSSHUEC-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@H+]1CC[C@H](/C=C\C[NH2+]C)C1 258220040 573009724 /nfs/dbraw/zinc/00/97/24/573009724.db2.gz ORFUTILFDZGGOW-LWTINBJPSA-N 2 1 168.284 1.104 10 0 ADAEMP CC(C)[N@@H+]1CC=C(CCC[NH3+])CC1 258221946 573010372 /nfs/dbraw/zinc/01/03/72/573010372.db2.gz VVTYNKWIWJAGCB-UHFFFAOYSA-N 2 1 182.311 1.766 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1/C=C\CC[NH3+] 258218763 573010651 /nfs/dbraw/zinc/01/06/51/573010651.db2.gz OPIPEQPPRYDKDH-RILPQGNRSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)[NH2+][C@@H](C)C[NH+]1CCCC1 42597613 573011033 /nfs/dbraw/zinc/01/10/33/573011033.db2.gz XGOXYXSGGCIQDB-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@@]1(C)CCC[NH2+]1 258220033 573011044 /nfs/dbraw/zinc/01/10/44/573011044.db2.gz ORDHWBAZSSHUEC-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@H]1C[NH2+]C(C)(C)C1 258221763 573012318 /nfs/dbraw/zinc/01/23/18/573012318.db2.gz OWMZKISSIUSYJT-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@@]1(C)CCC[NH2+]1 258220039 573012334 /nfs/dbraw/zinc/01/23/34/573012334.db2.gz ORDHWBAZSSHUEC-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+]1CCC[NH2+]CC[C@@H]1C 259308674 573012509 /nfs/dbraw/zinc/01/25/09/573012509.db2.gz HUJXHHLDZPOMTP-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CC[C@@H]1[NH3+] 87935043 573012590 /nfs/dbraw/zinc/01/25/90/573012590.db2.gz NNTMCUNOCYMRIT-IUCAKERBSA-N 2 1 179.267 1.183 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@]12CC[N@H+]1CCC[C@@H]12 123438936 573012733 /nfs/dbraw/zinc/01/27/33/573012733.db2.gz NIHKPBOAGLOUTC-IJLUTSLNSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[N@H+]1CC[C@@H](/C=C\C[NH2+]C)C1 258220043 573012774 /nfs/dbraw/zinc/01/27/74/573012774.db2.gz ORFUTILFDZGGOW-UMCURTJPSA-N 2 1 168.284 1.104 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1/C=C\C[NH3+] 258220252 573012805 /nfs/dbraw/zinc/01/28/05/573012805.db2.gz OTZMQESGALTIMD-ATPLWMGHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1/C=C\C[NH3+] 258220256 573012862 /nfs/dbraw/zinc/01/28/62/573012862.db2.gz OTZMQESGALTIMD-TZGMSPROSA-N 2 1 168.284 1.374 10 0 ADAEMP C[N@H+]1CCCC[C@H]1/C=C\CC[NH3+] 258218761 573013399 /nfs/dbraw/zinc/01/33/99/573013399.db2.gz OPIPEQPPRYDKDH-LGIFSFGNSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@]1(C)CCC[NH2+]1 258220035 573013410 /nfs/dbraw/zinc/01/34/10/573013410.db2.gz ORDHWBAZSSHUEC-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)[NH2+][C@H](C)C[NH+]1CCCC1 42597617 573013837 /nfs/dbraw/zinc/01/38/37/573013837.db2.gz XGOXYXSGGCIQDB-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP C[N@H+]1CC(C)(C)[NH2+]C[C@H]2CCCC[C@@H]21 82385540 573015090 /nfs/dbraw/zinc/01/50/90/573015090.db2.gz XLWYNYJKVSZBJY-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]CC[C@@H]1CCCC[N@H+]1C 49633210 573014768 /nfs/dbraw/zinc/01/47/68/573014768.db2.gz UHPVHVPXFCGTMD-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]1C[C@@]1(C)C[NH2+]CCc1[nH]cc[nH+]1 714617564 573015120 /nfs/dbraw/zinc/01/51/20/573015120.db2.gz ACLPPDFXTYODMZ-ONGXEEELSA-N 2 1 193.294 1.588 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CC[C@@H]1[NH3+] 87935044 573015651 /nfs/dbraw/zinc/01/56/51/573015651.db2.gz NNTMCUNOCYMRIT-BDAKNGLRSA-N 2 1 179.267 1.183 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[NH2+]CCc1[nH]cc[nH+]1 714617557 573015745 /nfs/dbraw/zinc/01/57/45/573015745.db2.gz ACLPPDFXTYODMZ-MWLCHTKSSA-N 2 1 193.294 1.588 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@@]2(C)CCC[NH2+]2)C1 258225887 573015905 /nfs/dbraw/zinc/01/59/05/573015905.db2.gz PFGSMMDMPCFIGA-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@]2(C)CCC[NH2+]2)C1 258225879 573016432 /nfs/dbraw/zinc/01/64/32/573016432.db2.gz PFGSMMDMPCFIGA-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H](c1[nH+]ccn1C)[C@@H](C)C[NH3+] 87938688 573016703 /nfs/dbraw/zinc/01/67/03/573016703.db2.gz UNKOAZSUSMFSHH-YUMQZZPRSA-N 2 1 167.256 1.118 10 0 ADAEMP [NH3+][C@H](c1ccc(F)cc1F)C1C[NH2+]C1 259311258 573017152 /nfs/dbraw/zinc/01/71/52/573017152.db2.gz KMZUHRQBISDJTE-JTQLQIEISA-N 2 1 198.216 1.184 10 0 ADAEMP Cn1cc[nH+]c1C(C)(C)CC[NH3+] 87937382 573016747 /nfs/dbraw/zinc/01/67/47/573016747.db2.gz KCEATCUEJNTQRQ-UHFFFAOYSA-N 2 1 167.256 1.047 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)c1[nH+]ccn1C 87938684 573016979 /nfs/dbraw/zinc/01/69/79/573016979.db2.gz UNKOAZSUSMFSHH-JGVFFNPUSA-N 2 1 167.256 1.118 10 0 ADAEMP C[C@H]1C[C@]1(C)C[NH2+]CCc1[nH]cc[nH+]1 714617535 573016987 /nfs/dbraw/zinc/01/69/87/573016987.db2.gz ACLPPDFXTYODMZ-GXSJLCMTSA-N 2 1 193.294 1.588 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@@]2(C)CCC[NH2+]2)C1 258225881 573017016 /nfs/dbraw/zinc/01/70/16/573017016.db2.gz PFGSMMDMPCFIGA-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H]1[C@@H]2CCCC[C@H]2[NH2+]CC[N@H+]1C 82385522 573018279 /nfs/dbraw/zinc/01/82/79/573018279.db2.gz SAXDSYICVYJSGD-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+](CCC[NH3+])[C@@H]1CCC[C@H]2C[C@H]21 308227130 573018355 /nfs/dbraw/zinc/01/83/55/573018355.db2.gz RAUAMGORRNYEMY-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP Cc1cccc([C@]2(C[NH3+])CCC[NH2+]2)c1 258225961 573018795 /nfs/dbraw/zinc/01/87/95/573018795.db2.gz OXVMOVDFKAXXNN-GFCCVEGCSA-N 2 1 190.290 1.532 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)c1[nH+]ccn1C 87938685 573018637 /nfs/dbraw/zinc/01/86/37/573018637.db2.gz UNKOAZSUSMFSHH-HTQZYQBOSA-N 2 1 167.256 1.118 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]Cc1ccccc1 82390055 573018777 /nfs/dbraw/zinc/01/87/77/573018777.db2.gz HKJAEABTLBWFHP-GFCCVEGCSA-N 2 1 192.306 1.904 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1 82390065 573018922 /nfs/dbraw/zinc/01/89/22/573018922.db2.gz RFJIMTUIPSHUSL-LBPRGKRZSA-N 2 1 192.306 1.904 10 0 ADAEMP C[C@H](C[NH3+])[C@H](C)c1[nH+]ccn1C 87938690 573019849 /nfs/dbraw/zinc/01/98/49/573019849.db2.gz UNKOAZSUSMFSHH-SFYZADRCSA-N 2 1 167.256 1.118 10 0 ADAEMP CCn1cc[nH+]c1C(C)(C)CC[NH3+] 87937268 573019332 /nfs/dbraw/zinc/01/93/32/573019332.db2.gz MPORYEJQPOQINK-UHFFFAOYSA-N 2 1 181.283 1.529 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@H](C)C(C)C 308225876 573019565 /nfs/dbraw/zinc/01/95/65/573019565.db2.gz QTECFCFLKCNVNA-QWRGUYRKSA-N 2 1 186.343 1.996 10 0 ADAEMP Cc1cccc([C@@]2(C[NH3+])CCC[NH2+]2)c1 258225965 573019605 /nfs/dbraw/zinc/01/96/05/573019605.db2.gz OXVMOVDFKAXXNN-LBPRGKRZSA-N 2 1 190.290 1.532 10 0 ADAEMP CC[C@H]1CC[C@@H](C)[N@@H+](CCC(N)=[NH2+])C1 308483311 573019650 /nfs/dbraw/zinc/01/96/50/573019650.db2.gz NSVJLDJDSHSZCY-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@](C)(C[NH2+]C1CC1)C[NH+]1CCC1 308483993 573020147 /nfs/dbraw/zinc/02/01/47/573020147.db2.gz IFGKZLOZWURZAL-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@]12CCCC[N@@H+]1C=CC[NH2+]C2 141703953 573020192 /nfs/dbraw/zinc/02/01/92/573020192.db2.gz VJNUFFNGZLRWFF-SNVBAGLBSA-N 2 1 166.268 1.348 10 0 ADAEMP C[C@]12CCCC[N@H+]1C=CC[NH2+]C2 141703953 573020198 /nfs/dbraw/zinc/02/01/98/573020198.db2.gz VJNUFFNGZLRWFF-SNVBAGLBSA-N 2 1 166.268 1.348 10 0 ADAEMP [NH3+][C@@H](c1ccc(F)cc1F)C1C[NH2+]C1 259311260 573020368 /nfs/dbraw/zinc/02/03/68/573020368.db2.gz KMZUHRQBISDJTE-SNVBAGLBSA-N 2 1 198.216 1.184 10 0 ADAEMP CCC[N@@H+](CC(C)C)C[C@H]1CC[NH2+]C1 308484881 573020620 /nfs/dbraw/zinc/02/06/20/573020620.db2.gz NUCJWPHNNITTKU-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]C[C@@H]1[C@H]2CCC[C@H]21 308484667 573020988 /nfs/dbraw/zinc/02/09/88/573020988.db2.gz OHVJRSYFKRLFPR-QCNOEVLYSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@H]([NH3+])C1(N(C)C)CCCCC1 82400759 573021169 /nfs/dbraw/zinc/02/11/69/573021169.db2.gz AYAQHXMNXJKHPW-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CC[C@H]1C[NH3+] 87942319 573021295 /nfs/dbraw/zinc/02/12/95/573021295.db2.gz FCZSUDQNAUGBSY-IUCAKERBSA-N 2 1 179.267 1.355 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CCCC[C@@H]1C[NH3+] 87941398 573021565 /nfs/dbraw/zinc/02/15/65/573021565.db2.gz QEIMHLOUDSHSLK-ZJUUUORDSA-N 2 1 193.294 1.653 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@@H](C)C(C)C 308225875 573021580 /nfs/dbraw/zinc/02/15/80/573021580.db2.gz QTECFCFLKCNVNA-MNOVXSKESA-N 2 1 186.343 1.996 10 0 ADAEMP CC[N@H+]1CCC=C(CCC[NH2+]C)C1 258227475 573021588 /nfs/dbraw/zinc/02/15/88/573021588.db2.gz WFUNZRZHWSKKNU-UHFFFAOYSA-N 2 1 182.311 1.638 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[C@@H]1C[NH3+] 87939458 573021639 /nfs/dbraw/zinc/02/16/39/573021639.db2.gz SRWJWXZGULEYGI-NXEZZACHSA-N 2 1 193.294 1.338 10 0 ADAEMP CC[C@@H]1CC[C@H](C)[N@@H+](CCC(N)=[NH2+])C1 308483310 573021687 /nfs/dbraw/zinc/02/16/87/573021687.db2.gz NSVJLDJDSHSZCY-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H](C)[N@H+](CCOC)C[C@H](C)[NH3+] 158476782 573021697 /nfs/dbraw/zinc/02/16/97/573021697.db2.gz LFQDJYHFOWCEDA-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP [NH3+]C[C@@]1(c2cccc(F)c2)CCC[NH2+]1 258228720 573021798 /nfs/dbraw/zinc/02/17/98/573021798.db2.gz PCGITCQQTPVVIP-LLVKDONJSA-N 2 1 194.253 1.363 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[C@H]1C[NH3+] 87939459 573022149 /nfs/dbraw/zinc/02/21/49/573022149.db2.gz SRWJWXZGULEYGI-UWVGGRQHSA-N 2 1 193.294 1.338 10 0 ADAEMP CCCC[N@H+]1CC[NH2+][C@H](CC)CC1 49660890 573021813 /nfs/dbraw/zinc/02/18/13/573021813.db2.gz DTBDUJAEOGTHGX-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP Cn1cc[nH+]c1[C@@H]1CCCC[C@H]1C[NH3+] 87941400 573021844 /nfs/dbraw/zinc/02/18/44/573021844.db2.gz QEIMHLOUDSHSLK-VHSXEESVSA-N 2 1 193.294 1.653 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1C[C@@H]1[NH2+]CCCO1 258473212 573022098 /nfs/dbraw/zinc/02/20/98/573022098.db2.gz KYZUTCYTGLPUBV-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[C@@H]1[NH2+]CCCO1 258473212 573022102 /nfs/dbraw/zinc/02/21/02/573022102.db2.gz KYZUTCYTGLPUBV-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 85438496 573022177 /nfs/dbraw/zinc/02/21/77/573022177.db2.gz HRVMOHQIZIRLND-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CCC[C@@H]1C[NH3+] 87940247 573022197 /nfs/dbraw/zinc/02/21/97/573022197.db2.gz MKPKDURPJUBLPE-BDAKNGLRSA-N 2 1 179.267 1.263 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CC[C@H]1C[NH3+] 87942317 573022270 /nfs/dbraw/zinc/02/22/70/573022270.db2.gz FCZSUDQNAUGBSY-DTWKUNHWSA-N 2 1 179.267 1.355 10 0 ADAEMP CCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 85438545 573022588 /nfs/dbraw/zinc/02/25/88/573022588.db2.gz FGDLRTHVXLDYSW-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CCC[NH3+])[C@@H]1CCC[C@@H]2C[C@@H]21 308227132 573022642 /nfs/dbraw/zinc/02/26/42/573022642.db2.gz RAUAMGORRNYEMY-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP COC[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 85438723 573022669 /nfs/dbraw/zinc/02/26/69/573022669.db2.gz XIFPBFQJYOBIFD-LLVKDONJSA-N 2 1 198.310 1.054 10 0 ADAEMP CCC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 308484879 573022684 /nfs/dbraw/zinc/02/26/84/573022684.db2.gz NUCJWPHNNITTKU-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP Cn1cc[nH+]c1[C@@H]1CCC[C@@H]1C[NH3+] 87940245 573022739 /nfs/dbraw/zinc/02/27/39/573022739.db2.gz MKPKDURPJUBLPE-RKDXNWHRSA-N 2 1 179.267 1.263 10 0 ADAEMP C[N@H+]1CCC[C@]12C=CC[C@@H](C[NH3+])C2 113690431 573022785 /nfs/dbraw/zinc/02/27/85/573022785.db2.gz DTHWDYOOXMQZQK-MNOVXSKESA-N 2 1 180.295 1.376 10 0 ADAEMP C[N@H+]1CCCC[C@H](C[NH3+])[C@H]1C1CC1 82394902 573022832 /nfs/dbraw/zinc/02/28/32/573022832.db2.gz KTGYCROXBBUWAG-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@H]1CC[C@H](C)[N@@H+](CCC(N)=[NH2+])C1 308483309 573022850 /nfs/dbraw/zinc/02/28/50/573022850.db2.gz NSVJLDJDSHSZCY-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 82401784 573023003 /nfs/dbraw/zinc/02/30/03/573023003.db2.gz HSTKGKJDRKGGLK-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[C@@H]1C[NH3+] 87939455 573023729 /nfs/dbraw/zinc/02/37/29/573023729.db2.gz SRWJWXZGULEYGI-VHSXEESVSA-N 2 1 193.294 1.338 10 0 ADAEMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCC(N)=[NH2+])C1 308483308 573023765 /nfs/dbraw/zinc/02/37/65/573023765.db2.gz NSVJLDJDSHSZCY-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[NH2+]Cc1ccco1 128475884 573023827 /nfs/dbraw/zinc/02/38/27/573023827.db2.gz PUKFVPLVFVSILA-NSHDSACASA-N 2 1 196.294 1.744 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CC[C@@H]1C[NH3+] 87942316 573023989 /nfs/dbraw/zinc/02/39/89/573023989.db2.gz FCZSUDQNAUGBSY-BDAKNGLRSA-N 2 1 179.267 1.355 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CCC[C@H]1C[NH3+] 87940250 573024072 /nfs/dbraw/zinc/02/40/72/573024072.db2.gz MKPKDURPJUBLPE-IUCAKERBSA-N 2 1 179.267 1.263 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CCC[C@@H]1C[NH3+] 87939641 573024190 /nfs/dbraw/zinc/02/41/90/573024190.db2.gz LKRVMSFUGSVQHS-ZJUUUORDSA-N 2 1 193.294 1.745 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1C[C@H]1[NH2+]CCCO1 258473172 573024344 /nfs/dbraw/zinc/02/43/44/573024344.db2.gz KYZUTCYTGLPUBV-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[C@H]1[NH2+]CCCO1 258473172 573024348 /nfs/dbraw/zinc/02/43/48/573024348.db2.gz KYZUTCYTGLPUBV-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP CCCC[N@H+]1CC[NH2+][C@@H](CC)CC1 49660888 573024376 /nfs/dbraw/zinc/02/43/76/573024376.db2.gz DTBDUJAEOGTHGX-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP Cn1cc[nH+]c1[C@@H]1CCCC[C@@H]1C[NH3+] 87941397 573024453 /nfs/dbraw/zinc/02/44/53/573024453.db2.gz QEIMHLOUDSHSLK-NXEZZACHSA-N 2 1 193.294 1.653 10 0 ADAEMP Cn1cc[nH+]c1[C@@H]1CCC[C@H]1C[NH3+] 87940248 573024563 /nfs/dbraw/zinc/02/45/63/573024563.db2.gz MKPKDURPJUBLPE-DTWKUNHWSA-N 2 1 179.267 1.263 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CCC[C@@H]1C[NH3+] 87939640 573025232 /nfs/dbraw/zinc/02/52/32/573025232.db2.gz LKRVMSFUGSVQHS-NXEZZACHSA-N 2 1 193.294 1.745 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[C@H]1C[NH3+] 87939461 573025297 /nfs/dbraw/zinc/02/52/97/573025297.db2.gz SRWJWXZGULEYGI-ZJUUUORDSA-N 2 1 193.294 1.338 10 0 ADAEMP C[N@H+]1CCC[C@@]12C=CC[C@@H](C[NH3+])C2 113690434 573025342 /nfs/dbraw/zinc/02/53/42/573025342.db2.gz DTHWDYOOXMQZQK-GHMZBOCLSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCCC[N@H+]1CCF 308227811 573025357 /nfs/dbraw/zinc/02/53/57/573025357.db2.gz RMYWPHFVWISSSL-UWVGGRQHSA-N 2 1 188.290 1.548 10 0 ADAEMP [NH3+]C[C@]1(c2cccc(F)c2)CCC[NH2+]1 258228723 573025480 /nfs/dbraw/zinc/02/54/80/573025480.db2.gz PCGITCQQTPVVIP-NSHDSACASA-N 2 1 194.253 1.363 10 0 ADAEMP Nc1[nH+]cccc1CCC1([NH3+])CC1 257924626 573025518 /nfs/dbraw/zinc/02/55/18/573025518.db2.gz RXQWXLQPZSKUFC-UHFFFAOYSA-N 2 1 177.251 1.088 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1NCCCO1 258473127 573025734 /nfs/dbraw/zinc/02/57/34/573025734.db2.gz KYZUTCYTGLPUBV-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+]CCCO1 258473127 573025742 /nfs/dbraw/zinc/02/57/42/573025742.db2.gz KYZUTCYTGLPUBV-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+]CCCO1 258473127 573025746 /nfs/dbraw/zinc/02/57/46/573025746.db2.gz KYZUTCYTGLPUBV-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[C@H]([NH3+])C1(N(C)C)CCCC1 82400757 573026044 /nfs/dbraw/zinc/02/60/44/573026044.db2.gz NWKYHQWLSFVADC-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP COC[N@H+]1CCC[C@H]1C1CC[NH2+]CC1 85438726 573026372 /nfs/dbraw/zinc/02/63/72/573026372.db2.gz XIFPBFQJYOBIFD-NSHDSACASA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1NCCCO1 258473149 573026530 /nfs/dbraw/zinc/02/65/30/573026530.db2.gz KYZUTCYTGLPUBV-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+]CCCO1 258473149 573026538 /nfs/dbraw/zinc/02/65/38/573026538.db2.gz KYZUTCYTGLPUBV-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1[NH2+]CCCO1 258473149 573026546 /nfs/dbraw/zinc/02/65/46/573026546.db2.gz KYZUTCYTGLPUBV-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438494 573027015 /nfs/dbraw/zinc/02/70/15/573027015.db2.gz HRVMOHQIZIRLND-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 82401783 573027039 /nfs/dbraw/zinc/02/70/39/573027039.db2.gz HSTKGKJDRKGGLK-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 85438543 573027673 /nfs/dbraw/zinc/02/76/73/573027673.db2.gz FGDLRTHVXLDYSW-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1C1CC[NH2+]CC1 85438702 573027904 /nfs/dbraw/zinc/02/79/04/573027904.db2.gz QIGIIJCRAORMGH-GFCCVEGCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](CC1CC1)C[C@@H]1C[C@@H]1C[NH3+] 715119928 573027996 /nfs/dbraw/zinc/02/79/96/573027996.db2.gz NDLFENVPNZLUJG-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP CCCCC[N@H+]1CCNC[C@@H](C)C1 49661083 573029158 /nfs/dbraw/zinc/02/91/58/573029158.db2.gz FRAPBLPOKQISAV-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCCCCN1CC[NH2+]C[C@@H](C)C1 49661083 573029163 /nfs/dbraw/zinc/02/91/63/573029163.db2.gz FRAPBLPOKQISAV-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1C[NH2+]CC[C@H]1C 85442037 573029205 /nfs/dbraw/zinc/02/92/05/573029205.db2.gz ZFPKADRCSBQYGN-NXEZZACHSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)CC1CC1 87947609 573029242 /nfs/dbraw/zinc/02/92/42/573029242.db2.gz QTSAGRQMQOSQDC-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1CCC[C@H](CC[NH3+])CC1 82406161 573029245 /nfs/dbraw/zinc/02/92/45/573029245.db2.gz PBXRGIDJQCEORD-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1C[NH2+]CC[C@H]1C 85442038 573029443 /nfs/dbraw/zinc/02/94/43/573029443.db2.gz ZFPKADRCSBQYGN-ZJUUUORDSA-N 2 1 193.294 1.616 10 0 ADAEMP Cc1[nH+]cn([C@@H]2C[NH2+]CC[C@@H]2C)c1C 85442056 573029659 /nfs/dbraw/zinc/02/96/59/573029659.db2.gz CBWYXCMFYONCSE-GZMMTYOYSA-N 2 1 193.294 1.670 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1C[NH2+]CC[C@H]1C 85442014 573030484 /nfs/dbraw/zinc/03/04/84/573030484.db2.gz HWMKQVNNGRLPHJ-SCZZXKLOSA-N 2 1 179.267 1.362 10 0 ADAEMP CCCCC[N@H+]1CCNC[C@H](C)C1 49661082 573030751 /nfs/dbraw/zinc/03/07/51/573030751.db2.gz FRAPBLPOKQISAV-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CCCCCN1CC[NH2+]C[C@H](C)C1 49661082 573030756 /nfs/dbraw/zinc/03/07/56/573030756.db2.gz FRAPBLPOKQISAV-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP C[C@]1([NH3+])CCC[N@@H+]2CCCC[C@H]21 258526638 573031248 /nfs/dbraw/zinc/03/12/48/573031248.db2.gz MZIXACTVRDFMGU-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@]1([NH3+])CCC[N@H+]2CCCC[C@H]21 258526638 573031252 /nfs/dbraw/zinc/03/12/52/573031252.db2.gz MZIXACTVRDFMGU-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1C[NH2+]CC[C@H]1C 85442012 573031297 /nfs/dbraw/zinc/03/12/97/573031297.db2.gz HWMKQVNNGRLPHJ-PSASIEDQSA-N 2 1 179.267 1.362 10 0 ADAEMP CCOCC[N@@H+](C)[C@@H](CC)CC[NH3+] 87976296 573031765 /nfs/dbraw/zinc/03/17/65/573031765.db2.gz XCPPPVCZXAIAQI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP Cc1[nH+]cn([C@H]2C[NH2+]CC[C@H]2C)c1C 85442062 573031935 /nfs/dbraw/zinc/03/19/35/573031935.db2.gz CBWYXCMFYONCSE-KCJUWKMLSA-N 2 1 193.294 1.670 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@@H]1c1[nH+]ccn1C 87957927 573032027 /nfs/dbraw/zinc/03/20/27/573032027.db2.gz YAMJCBHETCWZQE-UWVGGRQHSA-N 2 1 193.294 1.523 10 0 ADAEMP Cc1cccn2c(C3C[NH2+]C3)[nH+]cc12 257930806 573032064 /nfs/dbraw/zinc/03/20/64/573032064.db2.gz SWLNNEDHTWRBSB-UHFFFAOYSA-N 2 1 187.246 1.330 10 0 ADAEMP CC[N@@H+]1CC=C(CC[C@@H](C)[NH3+])CC1 257930977 573032181 /nfs/dbraw/zinc/03/21/81/573032181.db2.gz CUFBCGXEZLTWPG-SNVBAGLBSA-N 2 1 182.311 1.766 10 0 ADAEMP CC[N@@H+]1CC=C(CC[C@H](C)[NH3+])CC1 257930976 573032349 /nfs/dbraw/zinc/03/23/49/573032349.db2.gz CUFBCGXEZLTWPG-JTQLQIEISA-N 2 1 182.311 1.766 10 0 ADAEMP C[NH2+]C[C@H]1CCC[C@@H]1c1[nH+]ccn1C 87957928 573032294 /nfs/dbraw/zinc/03/22/94/573032294.db2.gz YAMJCBHETCWZQE-ZJUUUORDSA-N 2 1 193.294 1.523 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1C[NH2+]CC[C@@H]1C 85442010 573033660 /nfs/dbraw/zinc/03/36/60/573033660.db2.gz HWMKQVNNGRLPHJ-WPRPVWTQSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]cn([C@@H]2C[NH2+]CC[C@H]2C)c1C 85442060 573032593 /nfs/dbraw/zinc/03/25/93/573032593.db2.gz CBWYXCMFYONCSE-LDYMZIIASA-N 2 1 193.294 1.670 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1C[NH2+]CC[C@@H]1C 85442035 573033380 /nfs/dbraw/zinc/03/33/80/573033380.db2.gz ZFPKADRCSBQYGN-UWVGGRQHSA-N 2 1 193.294 1.616 10 0 ADAEMP C[C@@]1([NH3+])CCC[N@@H+]2CCCC[C@@H]21 258526633 573032740 /nfs/dbraw/zinc/03/27/40/573032740.db2.gz MZIXACTVRDFMGU-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@]1([NH3+])CCC[N@H+]2CCCC[C@@H]21 258526633 573032749 /nfs/dbraw/zinc/03/27/49/573032749.db2.gz MZIXACTVRDFMGU-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC[NH3+])CC1 82406162 573032780 /nfs/dbraw/zinc/03/27/80/573032780.db2.gz PBXRGIDJQCEORD-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[N@@H+](CC1CC1)C[C@@H]1C[C@H]1C[NH3+] 715119931 573032791 /nfs/dbraw/zinc/03/27/91/573032791.db2.gz NDLFENVPNZLUJG-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP CCC[N@@H+](CC1CC1)C[C@H]1C[C@H]1C[NH3+] 715119930 573033174 /nfs/dbraw/zinc/03/31/74/573033174.db2.gz NDLFENVPNZLUJG-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+]C[C@H]1CCC[C@H]1c1[nH+]ccn1C 87957930 573034407 /nfs/dbraw/zinc/03/44/07/573034407.db2.gz YAMJCBHETCWZQE-NXEZZACHSA-N 2 1 193.294 1.523 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[C@H]1c1[nH+]ccn1C 87957929 573034533 /nfs/dbraw/zinc/03/45/33/573034533.db2.gz YAMJCBHETCWZQE-VHSXEESVSA-N 2 1 193.294 1.523 10 0 ADAEMP CC[N@H+]1CC[C@@H](C2([NH3+])CCCCC2)C1 257925518 573034588 /nfs/dbraw/zinc/03/45/88/573034588.db2.gz GRUPFOFZVCHAOO-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)C(C[NH3+])([NH2+]C1CC1)C(C)C 308235752 573034797 /nfs/dbraw/zinc/03/47/97/573034797.db2.gz VVHFBZQBGKAYIP-UHFFFAOYSA-N 2 1 184.327 1.748 10 0 ADAEMP CCCC[N@@H+](C[C@H]1C[C@H]1C[NH3+])C1CC1 715120305 573035058 /nfs/dbraw/zinc/03/50/58/573035058.db2.gz OQFXVRYDBASICS-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP COc1ccc(F)cc1[C@H]([NH3+])CC[NH3+] 259316997 573035250 /nfs/dbraw/zinc/03/52/50/573035250.db2.gz KREZFHWLUVHDPF-SECBINFHSA-N 2 1 198.241 1.183 10 0 ADAEMP CCCC[N@@H+](C[C@@H]1C[C@@H]1C[NH3+])C1CC1 715120301 573035506 /nfs/dbraw/zinc/03/55/06/573035506.db2.gz OQFXVRYDBASICS-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@@H]1C[C@@H]1C[NH3+] 715120592 573035804 /nfs/dbraw/zinc/03/58/04/573035804.db2.gz PBHSVSBQFVNVAZ-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@]2(C)CC[NH2+]C2)C1 257926946 573036158 /nfs/dbraw/zinc/03/61/58/573036158.db2.gz SEXORUCEMQTEFQ-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@]2(C)CC[NH2+]C2)C1 257926958 573036170 /nfs/dbraw/zinc/03/61/70/573036170.db2.gz SEXORUCEMQTEFQ-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@H]1C[C@@H]1C[NH3+] 715120631 573036982 /nfs/dbraw/zinc/03/69/82/573036982.db2.gz PBHSVSBQFVNVAZ-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP CC1(C)C[NH2+][C@@H](C[C@H]2CCCC[NH2+]2)O1 258472524 573037291 /nfs/dbraw/zinc/03/72/91/573037291.db2.gz KXXJWTBUIZWFQS-NXEZZACHSA-N 2 1 198.310 1.243 10 0 ADAEMP C[N@H+](C[C@@H]([NH3+])CC(F)(F)F)C1CC1 308233226 573037419 /nfs/dbraw/zinc/03/74/19/573037419.db2.gz USKATWSPCIDYDR-LURJTMIESA-N 2 1 196.216 1.360 10 0 ADAEMP C[N@@H+](C[C@@H]([NH3+])CC(F)(F)F)C1CC1 308233226 573037426 /nfs/dbraw/zinc/03/74/26/573037426.db2.gz USKATWSPCIDYDR-LURJTMIESA-N 2 1 196.216 1.360 10 0 ADAEMP CCCC[N@@H+](C[C@@H]1C[C@H]1C[NH3+])C1CC1 715120303 573037711 /nfs/dbraw/zinc/03/77/11/573037711.db2.gz OQFXVRYDBASICS-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C2([NH3+])CCC2)C1 257927251 573037759 /nfs/dbraw/zinc/03/77/59/573037759.db2.gz GUPQTHACNGEQCE-JTQLQIEISA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@]2(C)CC[NH2+]C2)C1 257926954 573037944 /nfs/dbraw/zinc/03/79/44/573037944.db2.gz SEXORUCEMQTEFQ-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCS[C@H](C)C1 123487250 573038042 /nfs/dbraw/zinc/03/80/42/573038042.db2.gz TWVQYPTWNZCNGJ-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@H]1C[C@H]1C[NH3+] 715120618 573038122 /nfs/dbraw/zinc/03/81/22/573038122.db2.gz PBHSVSBQFVNVAZ-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[N@H+]1CC[C@H](C2([NH3+])CCCCC2)C1 257925520 573038202 /nfs/dbraw/zinc/03/82/02/573038202.db2.gz GRUPFOFZVCHAOO-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC1(C)C[NH2+][C@@H](C[C@@H]2CCCC[NH2+]2)O1 258472575 573038215 /nfs/dbraw/zinc/03/82/15/573038215.db2.gz KXXJWTBUIZWFQS-VHSXEESVSA-N 2 1 198.310 1.243 10 0 ADAEMP CC[N@@H+](CCC[NH3+])CCCF 88024207 573038254 /nfs/dbraw/zinc/03/82/54/573038254.db2.gz QKILKFLNIOPSCY-UHFFFAOYSA-N 2 1 162.252 1.017 10 0 ADAEMP CCCC[N@@H+](C[C@H]1C[C@@H]1C[NH3+])C1CC1 715120297 573038366 /nfs/dbraw/zinc/03/83/66/573038366.db2.gz OQFXVRYDBASICS-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP COc1ccc(F)cc1[C@@H]([NH3+])CC[NH3+] 259317002 573038467 /nfs/dbraw/zinc/03/84/67/573038467.db2.gz KREZFHWLUVHDPF-VIFPVBQESA-N 2 1 198.241 1.183 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@@H]1C[C@H]1C[NH3+] 715120620 573038787 /nfs/dbraw/zinc/03/87/87/573038787.db2.gz PBHSVSBQFVNVAZ-RYUDHWBXSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C2([NH3+])CCC2)C1 257927252 573038946 /nfs/dbraw/zinc/03/89/46/573038946.db2.gz GUPQTHACNGEQCE-SNVBAGLBSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@]2(C)CC[NH2+]C2)C1 257926951 573039153 /nfs/dbraw/zinc/03/91/53/573039153.db2.gz SEXORUCEMQTEFQ-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+](C[C@H]([NH3+])CC(F)(F)F)C1CC1 308233227 573039634 /nfs/dbraw/zinc/03/96/34/573039634.db2.gz USKATWSPCIDYDR-ZCFIWIBFSA-N 2 1 196.216 1.360 10 0 ADAEMP C[N@@H+](C[C@H]([NH3+])CC(F)(F)F)C1CC1 308233227 573039638 /nfs/dbraw/zinc/03/96/38/573039638.db2.gz USKATWSPCIDYDR-ZCFIWIBFSA-N 2 1 196.216 1.360 10 0 ADAEMP CO[C@H](C)C[N@@H+](C)CCC(C)(C)[NH3+] 308237569 573040495 /nfs/dbraw/zinc/04/04/95/573040495.db2.gz WSKVVPODOHAEMN-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)[N@H+](CCN)CCCF 88024239 573041006 /nfs/dbraw/zinc/04/10/06/573041006.db2.gz ZOPFTLOYFZRJRP-UHFFFAOYSA-N 2 1 162.252 1.015 10 0 ADAEMP CC(C)[N@H+](CC[NH3+])CCCF 88024239 573041020 /nfs/dbraw/zinc/04/10/20/573041020.db2.gz ZOPFTLOYFZRJRP-UHFFFAOYSA-N 2 1 162.252 1.015 10 0 ADAEMP CC(C)[N@@H+](CC[NH3+])CCCF 88024239 573041024 /nfs/dbraw/zinc/04/10/24/573041024.db2.gz ZOPFTLOYFZRJRP-UHFFFAOYSA-N 2 1 162.252 1.015 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCF)C[C@@H]1[NH3+] 88026370 573042805 /nfs/dbraw/zinc/04/28/05/573042805.db2.gz YLVCPFYMDKBSID-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]CCOC(C)C 308236844 573041538 /nfs/dbraw/zinc/04/15/38/573041538.db2.gz WKMZOQPQHFJRTL-JTQLQIEISA-N 2 1 188.315 1.128 10 0 ADAEMP C[N@H+]1CCC[C@H]1C1([NH3+])CCCC1 257934249 573041598 /nfs/dbraw/zinc/04/15/98/573041598.db2.gz HKSPTWILYIATKY-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP Cc1[nH+]c(C2CCC2)[nH]c1CC[NH3+] 257933492 573042481 /nfs/dbraw/zinc/04/24/81/573042481.db2.gz TZWXGLZVYMDCNU-UHFFFAOYSA-N 2 1 179.267 1.487 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@H+]1CC[C@H](C)C1 128583374 573042486 /nfs/dbraw/zinc/04/24/86/573042486.db2.gz BJSHRUJLCGDYNW-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2CCCF 88026326 573042516 /nfs/dbraw/zinc/04/25/16/573042516.db2.gz NHTGBMFWANENAA-PBINXNQUSA-N 2 1 186.274 1.300 10 0 ADAEMP C[C@@H]1C[N@@H+](CCCF)CCC[NH2+]1 88027509 573042698 /nfs/dbraw/zinc/04/26/98/573042698.db2.gz OISKSLALWAIUKM-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@H]1CC[N@H+](CCCF)C[C@@H]1[NH3+] 88026370 573042798 /nfs/dbraw/zinc/04/27/98/573042798.db2.gz YLVCPFYMDKBSID-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]([NH3+])[C@H](C)C[N@H+]1CCC1(C)C 642826617 573043236 /nfs/dbraw/zinc/04/32/36/573043236.db2.gz LFQSPKZKQMEGGB-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1C[N@@H+](CCCF)[C@@H](C)CC[NH2+]1 88027540 573043246 /nfs/dbraw/zinc/04/32/46/573043246.db2.gz ZQEQIXFDAVUTSE-UWVGGRQHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@H]1C[N@@H+](CCCF)CCC[NH2+]1 88027510 573044733 /nfs/dbraw/zinc/04/47/33/573044733.db2.gz OISKSLALWAIUKM-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@H+]1CC[C@H](C)C1 128583152 573043284 /nfs/dbraw/zinc/04/32/84/573043284.db2.gz BJSHRUJLCGDYNW-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC1(C)CCC[N@@H+](C[C@@H]2C[C@@H]2C[NH3+])C1 715118618 573044696 /nfs/dbraw/zinc/04/46/96/573044696.db2.gz GGWZTQMRHKALPD-MNOVXSKESA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@@H+](CCCF)[C@H](C)CC[NH2+]1 88027537 573043385 /nfs/dbraw/zinc/04/33/85/573043385.db2.gz ZQEQIXFDAVUTSE-NXEZZACHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C1([NH3+])CCCC1 257934246 573043447 /nfs/dbraw/zinc/04/34/47/573043447.db2.gz HKSPTWILYIATKY-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC[C@@H]([NH3+])CC[NH2+]Cc1ccco1 128576156 573043472 /nfs/dbraw/zinc/04/34/72/573043472.db2.gz HOEZELBOLCLXLN-SNVBAGLBSA-N 2 1 196.294 1.887 10 0 ADAEMP CC[N@H+](CCCF)[C@@H]1CCC[NH2+]C1 88026359 573043504 /nfs/dbraw/zinc/04/35/04/573043504.db2.gz DLNWPFFUSLORGW-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP CC[N@@H+](CCCF)[C@@H]1CCC[NH2+]C1 88026359 573043508 /nfs/dbraw/zinc/04/35/08/573043508.db2.gz DLNWPFFUSLORGW-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+]CC1([NH3+])CC1 233305902 573043766 /nfs/dbraw/zinc/04/37/66/573043766.db2.gz FHIVZZYXKYKGJB-RKDXNWHRSA-N 2 1 168.284 1.256 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CCCF)C1 88026455 573043783 /nfs/dbraw/zinc/04/37/83/573043783.db2.gz NUPMYZJLTZFPJG-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCCF)C1 88026455 573043786 /nfs/dbraw/zinc/04/37/86/573043786.db2.gz NUPMYZJLTZFPJG-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC1(C)CCC[N@@H+](C[C@@H]2C[C@H]2C[NH3+])C1 715118619 573044076 /nfs/dbraw/zinc/04/40/76/573044076.db2.gz GGWZTQMRHKALPD-QWRGUYRKSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)C1([C@@H]([NH3+])C[NH3+])CCC1 686130628 573044302 /nfs/dbraw/zinc/04/43/02/573044302.db2.gz GVDVFXZJDOSHRN-QMMMGPOBSA-N 2 1 156.273 1.099 10 0 ADAEMP CC1(C)CCC[N@@H+](C[C@H]2C[C@H]2C[NH3+])C1 715118620 573044644 /nfs/dbraw/zinc/04/46/44/573044644.db2.gz GGWZTQMRHKALPD-WDEREUQCSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[N@@H+](CCCF)[C@H](C)CC[NH2+]1 88027539 573045005 /nfs/dbraw/zinc/04/50/05/573045005.db2.gz ZQEQIXFDAVUTSE-VHSXEESVSA-N 2 1 188.290 1.418 10 0 ADAEMP CCC[C@H]([NH3+])CC[NH2+]Cc1ccco1 128575887 573045234 /nfs/dbraw/zinc/04/52/34/573045234.db2.gz HOEZELBOLCLXLN-JTQLQIEISA-N 2 1 196.294 1.887 10 0 ADAEMP C[C@H]1CC[NH2+]CC[N@H+]1CCCF 88027546 573045248 /nfs/dbraw/zinc/04/52/48/573045248.db2.gz LLIMIXHPOAEGGM-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@@H]1CC[N@H+](CCCF)C[C@@H]1[NH3+] 88026369 573045421 /nfs/dbraw/zinc/04/54/21/573045421.db2.gz YLVCPFYMDKBSID-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1[NH3+] 88026369 573045425 /nfs/dbraw/zinc/04/54/25/573045425.db2.gz YLVCPFYMDKBSID-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CCCF)C1 88026453 573045743 /nfs/dbraw/zinc/04/57/43/573045743.db2.gz NUPMYZJLTZFPJG-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CCCF)C1 88026453 573045748 /nfs/dbraw/zinc/04/57/48/573045748.db2.gz NUPMYZJLTZFPJG-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP CNCc1nc(CN2CCC2)cs1 308234453 573045778 /nfs/dbraw/zinc/04/57/78/573045778.db2.gz VEQHPDIWGVZLAC-UHFFFAOYSA-N 2 1 197.307 1.068 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CCCF)C1 88026456 573045979 /nfs/dbraw/zinc/04/59/79/573045979.db2.gz NUPMYZJLTZFPJG-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CCCF)C1 88026456 573045982 /nfs/dbraw/zinc/04/59/82/573045982.db2.gz NUPMYZJLTZFPJG-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP c1ccn2c(C3C[NH2+]C3)[nH+]cc2c1 257934602 573046017 /nfs/dbraw/zinc/04/60/17/573046017.db2.gz UCMFNOPWNZJKAL-UHFFFAOYSA-N 2 1 173.219 1.021 10 0 ADAEMP CC(C)C1([C@H]([NH3+])C[NH3+])CCC1 686130625 573046047 /nfs/dbraw/zinc/04/60/47/573046047.db2.gz GVDVFXZJDOSHRN-MRVPVSSYSA-N 2 1 156.273 1.099 10 0 ADAEMP C[C@@H]1CC[NH2+]CC[N@H+]1CCCF 88027545 573046148 /nfs/dbraw/zinc/04/61/48/573046148.db2.gz LLIMIXHPOAEGGM-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CCCF)C1 88026454 573046309 /nfs/dbraw/zinc/04/63/09/573046309.db2.gz NUPMYZJLTZFPJG-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+](CCCF)C1 88026454 573046301 /nfs/dbraw/zinc/04/63/01/573046301.db2.gz NUPMYZJLTZFPJG-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP [NH3+]CC1=CC[N@@H+](Cc2ccccc2)C1 257932601 573046450 /nfs/dbraw/zinc/04/64/50/573046450.db2.gz CXCAWYXGDRECFP-UHFFFAOYSA-N 2 1 188.274 1.387 10 0 ADAEMP FCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 88024752 573046700 /nfs/dbraw/zinc/04/67/00/573046700.db2.gz KNRGYBKVVDYXPO-VHSXEESVSA-N 2 1 186.274 1.172 10 0 ADAEMP FCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 88024752 573046702 /nfs/dbraw/zinc/04/67/02/573046702.db2.gz KNRGYBKVVDYXPO-VHSXEESVSA-N 2 1 186.274 1.172 10 0 ADAEMP CC1(C)C[N@@H+](CCCF)CCC[NH2+]1 88027514 573046733 /nfs/dbraw/zinc/04/67/33/573046733.db2.gz SQAZZOQYLFWEMC-UHFFFAOYSA-N 2 1 188.290 1.420 10 0 ADAEMP CC(C)C[N@@H+]1CC2CC(C2)[C@@H]1CN 257934679 573046871 /nfs/dbraw/zinc/04/68/71/573046871.db2.gz UDYBFDHDHXERNK-ILDUYXDCSA-N 2 1 182.311 1.312 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C2CC(C)C2)C1 123514975 573046924 /nfs/dbraw/zinc/04/69/24/573046924.db2.gz WDZLHNXWDMMWCL-HSOILSAZSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]CCC1(C)C 259317839 573047157 /nfs/dbraw/zinc/04/71/57/573047157.db2.gz IEIWMYAAXPDHJI-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC(C)C2)[C@@H](C)C1 123514231 573047480 /nfs/dbraw/zinc/04/74/80/573047480.db2.gz MLXQCYGVXKZVOX-LVFLEHKBSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)C[N@@H+]1CC2CC(C2)[C@H]1CN 257934682 573048448 /nfs/dbraw/zinc/04/84/48/573048448.db2.gz UDYBFDHDHXERNK-VQXHTEKXSA-N 2 1 182.311 1.312 10 0 ADAEMP C[NH2+]C[C@@H](C)[NH2+]CCCc1ccco1 162162355 573050701 /nfs/dbraw/zinc/05/07/01/573050701.db2.gz OQXGEHYDINBTNF-SNVBAGLBSA-N 2 1 196.294 1.410 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@@H+](CC2(C)CC2)C1 235697791 573050848 /nfs/dbraw/zinc/05/08/48/573050848.db2.gz UXQWNJSPBQWVSQ-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CC1(N)CCC1 88052288 573053017 /nfs/dbraw/zinc/05/30/17/573053017.db2.gz CLHRNQUYNNFQEE-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)C(C)C 128543535 573061979 /nfs/dbraw/zinc/06/19/79/573061979.db2.gz PJUCEVUXOMQIOO-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H]1CCCN(CC2([NH3+])CCC2)CC1 88052180 573053207 /nfs/dbraw/zinc/05/32/07/573053207.db2.gz UBPALFLDORFNLF-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1CC1([NH3+])CC1 257937539 573053251 /nfs/dbraw/zinc/05/32/51/573053251.db2.gz HOTKCUVYBFAEGA-JTQLQIEISA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@H]1CC[C@@H](C)N(CC2([NH3+])CCC2)C1 88052283 573053795 /nfs/dbraw/zinc/05/37/95/573053795.db2.gz UKQPLSJNTCOQGE-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CCC1([NH3+])CC1 257937740 573053956 /nfs/dbraw/zinc/05/39/56/573053956.db2.gz HRKGOYAPIXKSNY-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]1CCCN(CC2([NH3+])CCC2)[C@@H]1C 88052087 573053986 /nfs/dbraw/zinc/05/39/86/573053986.db2.gz TVZKLWMQVORKCB-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CCC[C@H]1CCC1([NH3+])CC1 257937737 573054118 /nfs/dbraw/zinc/05/41/18/573054118.db2.gz HRKGOYAPIXKSNY-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@@H+]1CC=C(CCCC[NH3+])CC1 257937751 573054321 /nfs/dbraw/zinc/05/43/21/573054321.db2.gz DGPRVORNEQIGNI-UHFFFAOYSA-N 2 1 182.311 1.767 10 0 ADAEMP Cc1ccccc1[C@]1(C[NH3+])CCC[NH2+]1 257937523 573054395 /nfs/dbraw/zinc/05/43/95/573054395.db2.gz BUQLUGDBQVAKPW-GFCCVEGCSA-N 2 1 190.290 1.532 10 0 ADAEMP CC1(C)CCC[N@H+]1CC1(N)CCC1 88052158 573054442 /nfs/dbraw/zinc/05/44/42/573054442.db2.gz HYLVPQJOTWLASZ-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP CC1(C)CCN(CC2([NH3+])CCC2)CC1 88052131 573054517 /nfs/dbraw/zinc/05/45/17/573054517.db2.gz ABVDJFHPGIFLEZ-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]C1CCC([N@H+]2CC[C@@H](F)C2)CC1 114037122 573054643 /nfs/dbraw/zinc/05/46/43/573054643.db2.gz XAGOJJLKHUDMBW-XNWIYYODSA-N 2 1 186.274 1.300 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1CC1(N)CCC1 88052289 573054828 /nfs/dbraw/zinc/05/48/28/573054828.db2.gz CLHRNQUYNNFQEE-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[N@H+](CC2(N)CCC2)C[C@@H]1C 88052299 573055264 /nfs/dbraw/zinc/05/52/64/573055264.db2.gz KMHVBXSBJOQULJ-AOOOYVTPSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCN(CC2([NH3+])CCC2)[C@H](C)C1 88052096 573055383 /nfs/dbraw/zinc/05/53/83/573055383.db2.gz MYWCAVBQYQDJQG-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](C)CC1([NH3+])CCC1 88051720 573055520 /nfs/dbraw/zinc/05/55/20/573055520.db2.gz JEOAUNHYJZEUIJ-UHFFFAOYSA-N 2 1 156.273 1.210 10 0 ADAEMP CC(C)(F)C[NH2+]CCC[NH2+]C1CC1 308241543 573055552 /nfs/dbraw/zinc/05/55/52/573055552.db2.gz YSYJHZRTFDUSHV-UHFFFAOYSA-N 2 1 188.290 1.466 10 0 ADAEMP CC1(C)CCN(CC2([NH3+])CCC2)C1 88052327 573055555 /nfs/dbraw/zinc/05/55/55/573055555.db2.gz SHQNDMXMVNFUOT-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP Cc1ccccc1[C@@]1(C[NH3+])CCC[NH2+]1 257937524 573055816 /nfs/dbraw/zinc/05/58/16/573055816.db2.gz BUQLUGDBQVAKPW-LBPRGKRZSA-N 2 1 190.290 1.532 10 0 ADAEMP CO[C@@H](C)C[C@H]([NH3+])c1c[nH+]ccc1N 128505482 573056050 /nfs/dbraw/zinc/05/60/50/573056050.db2.gz JXNMBTVEXZJKJE-XVKPBYJWSA-N 2 1 195.266 1.089 10 0 ADAEMP CO[C@@H](C)C[C@@H]([NH3+])c1c[nH+]ccc1N 128505898 573056001 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URBRSXHOMNDPNQ-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2([NH3+])CCC2)C1 88051870 573057039 /nfs/dbraw/zinc/05/70/39/573057039.db2.gz BEGJLNNPGUDQGV-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CCC1(C[NH2+][C@](C)(CC)C[NH3+])CC1 308239748 573057073 /nfs/dbraw/zinc/05/70/73/573057073.db2.gz XTTBMBYFOFKNLL-SNVBAGLBSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])C1(C)C 259320749 573057300 /nfs/dbraw/zinc/05/73/00/573057300.db2.gz IKHYQGSYBNJOPY-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H](C)N(CC2([NH3+])CCC2)C1 88052282 573057351 /nfs/dbraw/zinc/05/73/51/573057351.db2.gz UKQPLSJNTCOQGE-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CC[NH2+][C@@H]2CF)C1 257938693 573058586 /nfs/dbraw/zinc/05/85/86/573058586.db2.gz URBRSXHOMNDPNQ-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP CO[C@H](C)C[C@H]([NH3+])c1c[nH+]ccc1N 128505706 573059130 /nfs/dbraw/zinc/05/91/30/573059130.db2.gz JXNMBTVEXZJKJE-XCBNKYQSSA-N 2 1 195.266 1.089 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1C[C@H]2CC[C@@H]1C2 49717018 573059290 /nfs/dbraw/zinc/05/92/90/573059290.db2.gz RUPZANPGFIGBFE-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CC2)C[C@@H]1C 49711015 573059426 /nfs/dbraw/zinc/05/94/26/573059426.db2.gz SJPZYQCAWICAJC-NHCYSSNCSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC1(C[NH2+][C@@](C)(CC)C[NH3+])CC1 308239745 573059545 /nfs/dbraw/zinc/05/95/45/573059545.db2.gz XTTBMBYFOFKNLL-JTQLQIEISA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@@H]2C[C@H]2C2CC2)CCC1 717092479 573059631 /nfs/dbraw/zinc/05/96/31/573059631.db2.gz MEYLGCBFKAHDGX-WDEREUQCSA-N 2 1 194.322 1.517 10 0 ADAEMP CC(C)(C)[NH2+][C@@H](C[NH3+])C1CCC1 258474695 573060199 /nfs/dbraw/zinc/06/01/99/573060199.db2.gz IPKKKKDRHXNXIV-VIFPVBQESA-N 2 1 170.300 1.502 10 0 ADAEMP CCC(CC)(C[NH3+])[N@H+]1C[C@H]2CC[C@@H]1C2 49716020 573060782 /nfs/dbraw/zinc/06/07/82/573060782.db2.gz FVYHDEFBGSHRFW-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP 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308492686 573062431 /nfs/dbraw/zinc/06/24/31/573062431.db2.gz ALBWJQYXSYCVPY-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])C1(C)C 259320754 573064003 /nfs/dbraw/zinc/06/40/03/573064003.db2.gz IKHYQGSYBNJOPY-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@H]([NH3+])CC(F)F 308242692 573064971 /nfs/dbraw/zinc/06/49/71/573064971.db2.gz ZNYTWXFFGOUQIY-PRJMDXOYSA-N 2 1 192.253 1.357 10 0 ADAEMP CC(C)(C)[NH2+][C@H](C[NH3+])C1CCC1 258474692 573064447 /nfs/dbraw/zinc/06/44/47/573064447.db2.gz IPKKKKDRHXNXIV-SECBINFHSA-N 2 1 170.300 1.502 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C2([NH3+])CC2)C1 257939597 573064879 /nfs/dbraw/zinc/06/48/79/573064879.db2.gz HTPJBXXWHXIZHN-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238265551 573064967 /nfs/dbraw/zinc/06/49/67/573064967.db2.gz PMDGHGBMCAXGOL-WISYIIOYSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[NH2+]CCC[N@H+]1C[C@H]2CC[C@@H]1C2 49716585 573065719 /nfs/dbraw/zinc/06/57/19/573065719.db2.gz WZBITGPKSZPKSF-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)CC 128551316 573065762 /nfs/dbraw/zinc/06/57/62/573065762.db2.gz PUDVWTPCFKLFPQ-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CC(C)CC[NH2+]C[C@H](C1CC1)[NH+](C)C 308495252 573066355 /nfs/dbraw/zinc/06/63/55/573066355.db2.gz CYLARYCIHZMDLK-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC12CC2 715235431 573066524 /nfs/dbraw/zinc/06/65/24/573066524.db2.gz CAURSSYUBFETLZ-OUAUKWLOSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC12CC2 715235431 573066528 /nfs/dbraw/zinc/06/65/28/573066528.db2.gz CAURSSYUBFETLZ-OUAUKWLOSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238265541 573066773 /nfs/dbraw/zinc/06/67/73/573066773.db2.gz PMDGHGBMCAXGOL-KKOKHZNYSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]CC1=CC[N@H+](C(C)C)CC1 257939246 573066839 /nfs/dbraw/zinc/06/68/39/573066839.db2.gz DJAITVGKXLNWCG-UHFFFAOYSA-N 2 1 168.284 1.246 10 0 ADAEMP CC[C@](C)([NH3+])C[N@H+](C)C[C@@H](C)OC 393552175 573066899 /nfs/dbraw/zinc/06/68/99/573066899.db2.gz HNPHIOSSIBXJDL-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)C[C@@H](C)OC 393552175 573066904 /nfs/dbraw/zinc/06/69/04/573066904.db2.gz HNPHIOSSIBXJDL-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+](C)C[C@H](C)OC 393552173 573067150 /nfs/dbraw/zinc/06/71/50/573067150.db2.gz HNPHIOSSIBXJDL-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)C[C@H](C)OC 393552173 573067153 /nfs/dbraw/zinc/06/71/53/573067153.db2.gz HNPHIOSSIBXJDL-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@@H]([NH3+])CC2CC2)C1 308495029 573067174 /nfs/dbraw/zinc/06/71/74/573067174.db2.gz SNUYXIHQHBJHOZ-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)(C[NH2+]CC1CC1)[NH+]1CCCC1 308494208 573067442 /nfs/dbraw/zinc/06/74/42/573067442.db2.gz CRHFKCLGLGFXAE-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)CC[NH2+]C[C@@H](C1CC1)[NH+](C)C 308495253 573067737 /nfs/dbraw/zinc/06/77/37/573067737.db2.gz CYLARYCIHZMDLK-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])CC1 82489533 573067852 /nfs/dbraw/zinc/06/78/52/573067852.db2.gz VORXBZGSSIWPLR-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])CC1 82489533 573067856 /nfs/dbraw/zinc/06/78/56/573067856.db2.gz VORXBZGSSIWPLR-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@H]([NH3+])CC2CC2)C1 308495028 573067909 /nfs/dbraw/zinc/06/79/09/573067909.db2.gz SNUYXIHQHBJHOZ-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](CC)C1CC1 128551804 573067925 /nfs/dbraw/zinc/06/79/25/573067925.db2.gz YUGZEIPOHOCGDH-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+](C[C@@H](C)C(N)=[NH2+])CC1 82489514 573067939 /nfs/dbraw/zinc/06/79/39/573067939.db2.gz LJPVYRZCQLRCAY-NXEZZACHSA-N 2 1 197.326 1.680 10 0 ADAEMP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@@H](C)C1 131890254 573068244 /nfs/dbraw/zinc/06/82/44/573068244.db2.gz CWSZDSXOGLOIFM-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)CC 128551102 573068617 /nfs/dbraw/zinc/06/86/17/573068617.db2.gz PUDVWTPCFKLFPQ-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC12CC2 715235428 573068766 /nfs/dbraw/zinc/06/87/66/573068766.db2.gz CAURSSYUBFETLZ-MXWKQRLJSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC12CC2 715235428 573068773 /nfs/dbraw/zinc/06/87/73/573068773.db2.gz CAURSSYUBFETLZ-MXWKQRLJSA-N 2 1 194.322 1.469 10 0 ADAEMP Cc1[nH+]ccn1-c1ccncc1C[NH3+] 88115467 573069336 /nfs/dbraw/zinc/06/93/36/573069336.db2.gz OBKKYZXCQRJNNJ-UHFFFAOYSA-N 2 1 188.234 1.034 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC12CC2 715235426 573069469 /nfs/dbraw/zinc/06/94/69/573069469.db2.gz CAURSSYUBFETLZ-GMTAPVOTSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@H](C2([NH3+])CC2)C1 257939599 573069411 /nfs/dbraw/zinc/06/94/11/573069411.db2.gz HTPJBXXWHXIZHN-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC12CC2 715235426 573069465 /nfs/dbraw/zinc/06/94/65/573069465.db2.gz CAURSSYUBFETLZ-GMTAPVOTSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H]1CCC[N@H+](C2CC[NH2+]CC2)CC1 82489390 573069477 /nfs/dbraw/zinc/06/94/77/573069477.db2.gz QRMOIOGZXWHOHK-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCC[C@@H](C)CC1 82488903 573069564 /nfs/dbraw/zinc/06/95/64/573069564.db2.gz QOEYHBXLGLFJCQ-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)CCC 128555501 573069580 /nfs/dbraw/zinc/06/95/80/573069580.db2.gz NTVOXTLOHVURFV-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CCC[NH2+]CCC[N@H+]1C[C@H]2CC[C@@H]1C2 49716590 573069840 /nfs/dbraw/zinc/06/98/40/573069840.db2.gz BVCIJAXNUWVLSC-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H](C)CC1 82489531 573070367 /nfs/dbraw/zinc/07/03/67/573070367.db2.gz VORXBZGSSIWPLR-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H](C)CC1 82489531 573070358 /nfs/dbraw/zinc/07/03/58/573070358.db2.gz VORXBZGSSIWPLR-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)C1CC1 128552061 573070526 /nfs/dbraw/zinc/07/05/26/573070526.db2.gz YFQSSWJUIZRKDA-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)CC1 82489388 573070435 /nfs/dbraw/zinc/07/04/35/573070435.db2.gz QRMOIOGZXWHOHK-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H]2CC[C@@H]1C2 49716588 573070464 /nfs/dbraw/zinc/07/04/64/573070464.db2.gz AZYOVTVOXYWTKK-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP Cc1cc(-n2ccnc2)c(C[NH3+])c[nH+]1 88115452 573070871 /nfs/dbraw/zinc/07/08/71/573070871.db2.gz ZRTAXLVQIAPDDQ-UHFFFAOYSA-N 2 1 188.234 1.034 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC12CC2 715235437 573071130 /nfs/dbraw/zinc/07/11/30/573071130.db2.gz CAURSSYUBFETLZ-VWYCJHECSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC12CC2 715235437 573071135 /nfs/dbraw/zinc/07/11/35/573071135.db2.gz CAURSSYUBFETLZ-VWYCJHECSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](C)CC1 82488895 573071849 /nfs/dbraw/zinc/07/18/49/573071849.db2.gz XDWCNLOZJNSWKY-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@H+]1CCC[C@@H]1C 128571769 573072487 /nfs/dbraw/zinc/07/24/87/573072487.db2.gz KUVCMLYKGGSTTN-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@@H](C)C(N)=[NH2+])CC1 82489516 573072511 /nfs/dbraw/zinc/07/25/11/573072511.db2.gz LJPVYRZCQLRCAY-VHSXEESVSA-N 2 1 197.326 1.680 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC(C)(C)C[C@@H]1C 88131930 573072818 /nfs/dbraw/zinc/07/28/18/573072818.db2.gz YLDOGVCHMFITJN-ONGXEEELSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[C@@H]1CC[NH2+]C[C@@H]1[NH+](C)C 238269068 573072982 /nfs/dbraw/zinc/07/29/82/573072982.db2.gz KWWHUKDWXDLRIK-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCC(N)=[NH2+])CC1 82489518 573073261 /nfs/dbraw/zinc/07/32/61/573073261.db2.gz HEYPLJZGTGFOPS-SECBINFHSA-N 2 1 183.299 1.434 10 0 ADAEMP CCC[C@@H]1CC[NH2+]C[C@H]1[NH+](C)C 238269084 573073368 /nfs/dbraw/zinc/07/33/68/573073368.db2.gz KWWHUKDWXDLRIK-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP Cc1[nH+]c(CCC[NH3+])[nH]c1CC(C)C 258475263 573073462 /nfs/dbraw/zinc/07/34/62/573073462.db2.gz BAGWATKDSWALPW-UHFFFAOYSA-N 2 1 195.310 1.808 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@@H](C)CC1 82489508 573073526 /nfs/dbraw/zinc/07/35/26/573073526.db2.gz XXOMGSBARQAACC-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H](C)CC(N)=[NH2+])CC1 82489509 573073619 /nfs/dbraw/zinc/07/36/19/573073619.db2.gz XXOMGSBARQAACC-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC(C)(C)C[C@H]1C 88131929 573074465 /nfs/dbraw/zinc/07/44/65/573074465.db2.gz YLDOGVCHMFITJN-KOLCDFICSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@@H](C)C[NH3+])CC1 82488897 573074580 /nfs/dbraw/zinc/07/45/80/573074580.db2.gz XDWCNLOZJNSWKY-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](C)CC1 82489526 573074773 /nfs/dbraw/zinc/07/47/73/573074773.db2.gz MXOFATUDUADRMD-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H](C)CC1 82489526 573074778 /nfs/dbraw/zinc/07/47/78/573074778.db2.gz MXOFATUDUADRMD-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CCC[C@H]([NH3+])CC[N@@H+](C)CC1CC1 128572462 573074847 /nfs/dbraw/zinc/07/48/47/573074847.db2.gz AROUNQABCOKTNQ-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC(C)(C)C[C@H]1C 88131931 573075667 /nfs/dbraw/zinc/07/56/67/573075667.db2.gz YLDOGVCHMFITJN-MWLCHTKSSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCC(N)=[NH2+])CC1 82489519 573075721 /nfs/dbraw/zinc/07/57/21/573075721.db2.gz HEYPLJZGTGFOPS-VIFPVBQESA-N 2 1 183.299 1.434 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC(C)(C)C[C@@H]1C 88131932 573075731 /nfs/dbraw/zinc/07/57/31/573075731.db2.gz YLDOGVCHMFITJN-GXSJLCMTSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCC[C@@H](C)CC1 82496680 573076493 /nfs/dbraw/zinc/07/64/93/573076493.db2.gz GEYSFXSBHWMPPY-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)CC1CC1 128572645 573077495 /nfs/dbraw/zinc/07/74/95/573077495.db2.gz AROUNQABCOKTNQ-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[N@H+]1C(C)(C)CCC[NH3+] 308250872 573077706 /nfs/dbraw/zinc/07/77/06/573077706.db2.gz BOBKFJRYJLWEIT-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C(C)(C)CCC[NH3+] 308250873 573077837 /nfs/dbraw/zinc/07/78/37/573077837.db2.gz BOBKFJRYJLWEIT-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CCCCC[C@H]1[NH2+][C@H](C)C[NH3+] 235460061 573078384 /nfs/dbraw/zinc/07/83/84/573078384.db2.gz BTXBDCVENYFUQZ-HBNTYKKESA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[NH2+]CC[C@@H]1CCCC[N@H+]1C 49773139 573078540 /nfs/dbraw/zinc/07/85/40/573078540.db2.gz XOUZHHODQDCQJW-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@H]1C[C@@H](C[N@@H+]2CC=CCC2)CC[NH2+]1 235698741 573078698 /nfs/dbraw/zinc/07/86/98/573078698.db2.gz CFTYTENJFBSXTF-RYUDHWBXSA-N 2 1 194.322 1.636 10 0 ADAEMP CC[C@@H]1C[NH2+]CCCC[N@H+]1C 238269342 573079242 /nfs/dbraw/zinc/07/92/42/573079242.db2.gz PVKZHWUJFGPEKK-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]Cc1ccncc1 308491601 573079412 /nfs/dbraw/zinc/07/94/12/573079412.db2.gz QZBWRKAYXQMIJA-NSHDSACASA-N 2 1 193.294 1.299 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C(C)(C)C)C1 114472511 573079671 /nfs/dbraw/zinc/07/96/71/573079671.db2.gz IAGMHJKHFYFEOW-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](C[Si](C)(C)C)C1CC([NH3+])C1 401800512 573079769 /nfs/dbraw/zinc/07/97/69/573079769.db2.gz MZBACCPVFSNOBB-UHFFFAOYSA-N 2 1 186.375 1.285 10 0 ADAEMP CC[C@@]1(C)C[C@@]([NH3+])(CC)C(N)=[NH+]1 238270096 573080249 /nfs/dbraw/zinc/08/02/49/573080249.db2.gz VVTNFBPLCZIMFC-IUCAKERBSA-N 2 1 169.272 1.233 10 0 ADAEMP CC[C@@H]1C[NH2+]CC[N@H+]2CCC[C@@H]12 238269730 573080531 /nfs/dbraw/zinc/08/05/31/573080531.db2.gz DBRLBXUQHQTYOK-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CCC[N@H+](CC[C@@H](C)[NH3+])CC1 82496681 573081773 /nfs/dbraw/zinc/08/17/73/573081773.db2.gz GEYSFXSBHWMPPY-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C(C)(C)C)C1 114472514 573082145 /nfs/dbraw/zinc/08/21/45/573082145.db2.gz IAGMHJKHFYFEOW-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC1CC1 308497338 573082834 /nfs/dbraw/zinc/08/28/34/573082834.db2.gz UFARRIGMYKQUHS-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)c1c[nH+]cn1[C@H](C)CC[NH3+] 308252233 573082900 /nfs/dbraw/zinc/08/29/00/573082900.db2.gz GJRLRXMEGBJEMM-SECBINFHSA-N 2 1 181.283 1.916 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CC=CC1 114457026 573083631 /nfs/dbraw/zinc/08/36/31/573083631.db2.gz IFWDQWJVFHABKJ-NXEZZACHSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CC=CC1 114457023 573083180 /nfs/dbraw/zinc/08/31/80/573083180.db2.gz IFWDQWJVFHABKJ-ZJUUUORDSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+][C@H]1CCCC[C@@H]1[NH+]1CC=CC1 114457027 573083354 /nfs/dbraw/zinc/08/33/54/573083354.db2.gz IFWDQWJVFHABKJ-UWVGGRQHSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+][C@H]1CCCC[C@H]1[NH+]1CC=CC1 114457029 573083410 /nfs/dbraw/zinc/08/34/10/573083410.db2.gz IFWDQWJVFHABKJ-VHSXEESVSA-N 2 1 166.268 1.128 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC1CC1 308497336 573084349 /nfs/dbraw/zinc/08/43/49/573084349.db2.gz UFARRIGMYKQUHS-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[NH2+]CC[C@H]1CCCC[N@H+]1C 49773141 573084440 /nfs/dbraw/zinc/08/44/40/573084440.db2.gz XOUZHHODQDCQJW-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@@H]([NH3+])CC[N@@H+](C)CCOC 128588086 573085037 /nfs/dbraw/zinc/08/50/37/573085037.db2.gz VDNRNWCSODUOPZ-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC1CC1 308497339 573086163 /nfs/dbraw/zinc/08/61/63/573086163.db2.gz UFARRIGMYKQUHS-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)c1c[nH+]cn1[C@@H](C)CC[NH3+] 308252234 573086427 /nfs/dbraw/zinc/08/64/27/573086427.db2.gz GJRLRXMEGBJEMM-VIFPVBQESA-N 2 1 181.283 1.916 10 0 ADAEMP CC[N@H+](C)CC[C@H]1CSCC[NH2+]1 85615246 573086582 /nfs/dbraw/zinc/08/65/82/573086582.db2.gz OVBFIMWNWNTYCI-VIFPVBQESA-N 2 1 188.340 1.033 10 0 ADAEMP CC[N@@H+](C)CC[C@H]1CSCC[NH2+]1 85615246 573086585 /nfs/dbraw/zinc/08/65/85/573086585.db2.gz OVBFIMWNWNTYCI-VIFPVBQESA-N 2 1 188.340 1.033 10 0 ADAEMP C[NH+](C)C[C@@H]1Cc2ccccc2[C@@H]1[NH3+] 114583090 573086778 /nfs/dbraw/zinc/08/67/78/573086778.db2.gz UQAFIRKULPMKKX-CMPLNLGQSA-N 2 1 190.290 1.420 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+]1CC[C@H](F)C1 689901607 573087619 /nfs/dbraw/zinc/08/76/19/573087619.db2.gz AYOMRENKDINZJH-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP CCC[C@H](C[N@@H+]1CC[C@@H](C)C1)[NH2+]C 223937871 573087436 /nfs/dbraw/zinc/08/74/36/573087436.db2.gz VOBYBIKNPFLUQX-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C[N@H+]1CC[C@@H](C)C1)[NH2+]C 223937871 573087443 /nfs/dbraw/zinc/08/74/43/573087443.db2.gz VOBYBIKNPFLUQX-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 235705468 573087554 /nfs/dbraw/zinc/08/75/54/573087554.db2.gz OEDPTXPMGHZVOQ-QCNOEVLYSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+]1CC[C@H](F)C1 689901607 573087623 /nfs/dbraw/zinc/08/76/23/573087623.db2.gz AYOMRENKDINZJH-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CC(C)(C)C[NH3+] 259324681 573087635 /nfs/dbraw/zinc/08/76/35/573087635.db2.gz CYMBHQKZHVTERP-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+]1CC[C@@H](F)C1 689901603 573087811 /nfs/dbraw/zinc/08/78/11/573087811.db2.gz AYOMRENKDINZJH-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+]1CC[C@@H](F)C1 689901603 573087815 /nfs/dbraw/zinc/08/78/15/573087815.db2.gz AYOMRENKDINZJH-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+]1CC[C@H](F)C1 689901611 573090016 /nfs/dbraw/zinc/09/00/16/573090016.db2.gz AYOMRENKDINZJH-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+]1CC[C@H](F)C1 689901611 573090021 /nfs/dbraw/zinc/09/00/21/573090021.db2.gz AYOMRENKDINZJH-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H]2CC23CC[NH2+]CC3)C1 258231776 573090537 /nfs/dbraw/zinc/09/05/37/573090537.db2.gz ZMTSUSBIQFUURZ-GHMZBOCLSA-N 2 1 194.322 1.328 10 0 ADAEMP CCOCC[N@@H+](CC)[C@H](C)CC[NH3+] 82536689 573090632 /nfs/dbraw/zinc/09/06/32/573090632.db2.gz VJBREPYOWGHQDO-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1CC(F)F 308259885 573090657 /nfs/dbraw/zinc/09/06/57/573090657.db2.gz MARRHWZKNUTFFC-LURJTMIESA-N 2 1 189.209 1.210 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@]1(C)C1CCCC1 107187088 573090695 /nfs/dbraw/zinc/09/06/95/573090695.db2.gz IZWWBYSNVHCJJL-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CCOCC[N@@H+](CC)[C@@H](C)CC[NH3+] 82536687 573090728 /nfs/dbraw/zinc/09/07/28/573090728.db2.gz VJBREPYOWGHQDO-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2CC23CC[NH2+]CC3)C1 258231782 573090813 /nfs/dbraw/zinc/09/08/13/573090813.db2.gz ZMTSUSBIQFUURZ-QWRGUYRKSA-N 2 1 194.322 1.328 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@]1(C)C1CCCCC1 107187110 573090830 /nfs/dbraw/zinc/09/08/30/573090830.db2.gz CZQLBJZXFXCRNA-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@]1(C)C1CCCC1 107187085 573091609 /nfs/dbraw/zinc/09/16/09/573091609.db2.gz IZWWBYSNVHCJJL-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[C@H]1CC[NH2+]C[C@H]1[NH+](C)C 238275069 573091664 /nfs/dbraw/zinc/09/16/64/573091664.db2.gz KWWHUKDWXDLRIK-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1CC(F)F 308259887 573091711 /nfs/dbraw/zinc/09/17/11/573091711.db2.gz MARRHWZKNUTFFC-ZCFIWIBFSA-N 2 1 189.209 1.210 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@]1(C)C1CCCCC1 107187107 573091781 /nfs/dbraw/zinc/09/17/81/573091781.db2.gz CZQLBJZXFXCRNA-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2CC23CC[NH2+]CC3)C1 258231785 573092196 /nfs/dbraw/zinc/09/21/96/573092196.db2.gz ZMTSUSBIQFUURZ-WDEREUQCSA-N 2 1 194.322 1.328 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223182506 573092978 /nfs/dbraw/zinc/09/29/78/573092978.db2.gz JCDMIDHZVPXZGH-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CCOCC[N@@H+](CC)CC[C@@H](C)[NH3+] 82537045 573093734 /nfs/dbraw/zinc/09/37/34/573093734.db2.gz WBAYJKXFBBKDAV-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[C@H](C[NH3+])Cc1[nH]cc(C(C)(C)C)[nH+]1 259035749 573094360 /nfs/dbraw/zinc/09/43/60/573094360.db2.gz GYHHWVVITRYEKI-QMMMGPOBSA-N 2 1 195.310 1.845 10 0 ADAEMP C[N@H+]1CC[C@@](F)(C(C)(C)C[NH3+])C1 257943286 573094359 /nfs/dbraw/zinc/09/43/59/573094359.db2.gz VGIOBECWAILZNA-VIFPVBQESA-N 2 1 174.263 1.015 10 0 ADAEMP CCC[N@H+]1CCC[C@@H](C[NH3+])C1(C)C 259327113 573095454 /nfs/dbraw/zinc/09/54/54/573095454.db2.gz IOXVUWCIYHACGJ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](C)CC[NH3+] 49805084 573095895 /nfs/dbraw/zinc/09/58/95/573095895.db2.gz UUIWYHSCMMWKDB-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[N@H+]1CCC[C@H](C[NH3+])C1(C)C 259327116 573096098 /nfs/dbraw/zinc/09/60/98/573096098.db2.gz IOXVUWCIYHACGJ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP Cc1c[nH+]cn1[C@@H](C)CCCC[NH3+] 308256194 573096759 /nfs/dbraw/zinc/09/67/59/573096759.db2.gz JNMXCKSDDZSPIE-VIFPVBQESA-N 2 1 181.283 1.882 10 0 ADAEMP C[N@@H+](CCCC[NH3+])C(C)(C)C 49804681 573097080 /nfs/dbraw/zinc/09/70/80/573097080.db2.gz WKTHMHVBZHHZME-UHFFFAOYSA-N 2 1 158.289 1.456 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCCC1 82560367 573097282 /nfs/dbraw/zinc/09/72/82/573097282.db2.gz ASAYSVYEJXIEFN-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C/C=C\C[NH2+]C 258232428 573097671 /nfs/dbraw/zinc/09/76/71/573097671.db2.gz PMVMBUBLZVORHR-WYGGZMRJSA-N 2 1 182.311 1.636 10 0 ADAEMP CC[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]2[C@@H](C)[C@@H]1C 238277242 573097897 /nfs/dbraw/zinc/09/78/97/573097897.db2.gz CJFZYAGGBWFTDE-BJDJZHNGSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](C)C1CCCC1 82560365 573098296 /nfs/dbraw/zinc/09/82/96/573098296.db2.gz ASAYSVYEJXIEFN-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C1=CC[N@@H+](CCC[C@H]2CCC[NH2+]2)CC1 308501731 573098406 /nfs/dbraw/zinc/09/84/06/573098406.db2.gz GZQSAYZSFFVTGY-GFCCVEGCSA-N 2 1 194.322 1.781 10 0 ADAEMP CCCc1c[nH+]cn1CCCC[NH3+] 308255917 573098493 /nfs/dbraw/zinc/09/84/93/573098493.db2.gz JGULMRKOYCDMQO-UHFFFAOYSA-N 2 1 181.283 1.575 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC1(C)C 82560910 573099181 /nfs/dbraw/zinc/09/91/81/573099181.db2.gz ZPXOBLZKUXISHV-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@@H]2C)C1 82560576 573099694 /nfs/dbraw/zinc/09/96/94/573099694.db2.gz XHLQFFYAZLVRJW-VWYCJHECSA-N 2 1 182.311 1.184 10 0 ADAEMP Cc1c[nH+]cn1[C@H](C)CCCC[NH3+] 308256193 573099803 /nfs/dbraw/zinc/09/98/03/573099803.db2.gz JNMXCKSDDZSPIE-SECBINFHSA-N 2 1 181.283 1.882 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@H+]1CCCC1(C)C 82560909 573100939 /nfs/dbraw/zinc/10/09/39/573100939.db2.gz ZPXOBLZKUXISHV-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCC[C@H](C(C)(C)C[NH3+])C1 259328836 573101009 /nfs/dbraw/zinc/10/10/09/573101009.db2.gz DBXXRKBWIPFKBH-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCCC1(C)C 82560908 573101257 /nfs/dbraw/zinc/10/12/57/573101257.db2.gz ZPXOBLZKUXISHV-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC1(C)C 82560911 573101460 /nfs/dbraw/zinc/10/14/60/573101460.db2.gz ZPXOBLZKUXISHV-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C/C=C\C[NH2+]C 258232425 573101609 /nfs/dbraw/zinc/10/16/09/573101609.db2.gz PMVMBUBLZVORHR-DOGVGXBMSA-N 2 1 182.311 1.636 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@@H]1C 82560486 573101788 /nfs/dbraw/zinc/10/17/88/573101788.db2.gz XLLZTSOJDAEMJD-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CC[C@@H](CC2([NH3+])CC2)C12CC2 257940970 573102139 /nfs/dbraw/zinc/10/21/39/573102139.db2.gz VBLHZGKTWDNVGW-VIFPVBQESA-N 2 1 180.295 1.352 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CC[C@H](C)[C@@H](C)C1 131900024 573102799 /nfs/dbraw/zinc/10/27/99/573102799.db2.gz DSRQQBBDAIKCGO-SDDRHHMPSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](c1ccc(C)o1)C1(C[NH3+])CC1 259330574 573102913 /nfs/dbraw/zinc/10/29/13/573102913.db2.gz JYYBKEDXLGTTQD-JTQLQIEISA-N 2 1 194.278 1.587 10 0 ADAEMP C[N@H+]1CC[C@H](CC2([NH3+])CC2)C12CC2 257940966 573104764 /nfs/dbraw/zinc/10/47/64/573104764.db2.gz VBLHZGKTWDNVGW-SECBINFHSA-N 2 1 180.295 1.352 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C(C)(C)C[NH3+])C1 259328837 573104874 /nfs/dbraw/zinc/10/48/74/573104874.db2.gz DBXXRKBWIPFKBH-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238284749 573105640 /nfs/dbraw/zinc/10/56/40/573105640.db2.gz OZFBTYWYRNXTQO-DBIOUOCHSA-N 2 1 182.311 1.739 10 0 ADAEMP CC[C@H](C[NH3+])[C@@H]([NH3+])c1ccccn1 259328334 573106762 /nfs/dbraw/zinc/10/67/62/573106762.db2.gz IYUBTAQXXXVMLL-PSASIEDQSA-N 2 1 179.267 1.066 10 0 ADAEMP CC[C@]1(CC[NH3+])CCC[N@@H+](C)C1 77264128 573106277 /nfs/dbraw/zinc/10/62/77/573106277.db2.gz HXHZXQPLFYOMRK-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP CC[C@@H](C[NH3+])[C@@H]([NH3+])c1ccccn1 259328342 573106603 /nfs/dbraw/zinc/10/66/03/573106603.db2.gz IYUBTAQXXXVMLL-WCBMZHEXSA-N 2 1 179.267 1.066 10 0 ADAEMP C[C@@H](C[NH3+])Nc1[nH]c2ccccc2[nH+]1 82576289 573107325 /nfs/dbraw/zinc/10/73/25/573107325.db2.gz HKTFVJDIVCDMMW-ZETCQYMHSA-N 2 1 190.250 1.322 10 0 ADAEMP [NH3+]C[C@@H]1[C@H]2C[C@H]2C[N@@H+]1C1CCCC1 257942071 573107786 /nfs/dbraw/zinc/10/77/86/573107786.db2.gz VDHXBLCVJGBWNR-INTQDDNPSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1[C@H]2C[C@H]2C[N@H+]1C1CCCC1 257942071 573107796 /nfs/dbraw/zinc/10/77/96/573107796.db2.gz VDHXBLCVJGBWNR-INTQDDNPSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1[C@@H]2C[C@@H]2C[N@@H+]1C1CCCC1 257942069 573107919 /nfs/dbraw/zinc/10/79/19/573107919.db2.gz VDHXBLCVJGBWNR-FBIMIBRVSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1[C@@H]2C[C@@H]2C[N@H+]1C1CCCC1 257942069 573107925 /nfs/dbraw/zinc/10/79/25/573107925.db2.gz VDHXBLCVJGBWNR-FBIMIBRVSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1CCCCC[C@@H]1[NH2+][C@H](C)C[NH3+] 235463211 573107970 /nfs/dbraw/zinc/10/79/70/573107970.db2.gz BTXBDCVENYFUQZ-AXFHLTTASA-N 2 1 184.327 1.892 10 0 ADAEMP CCCC[N@H+]1CC[C@H](CC[NH2+]C)C1 77271794 573108221 /nfs/dbraw/zinc/10/82/21/573108221.db2.gz ZRYQGRGSLGAALF-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C2CC2)[C@H]1C 259329896 573108560 /nfs/dbraw/zinc/10/85/60/573108560.db2.gz RKDBQOVFBCVKRX-DTWKUNHWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C(C)(C)C1 259330101 573108621 /nfs/dbraw/zinc/10/86/21/573108621.db2.gz IVZKSMYXIJSBHN-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 717132278 573108694 /nfs/dbraw/zinc/10/86/94/573108694.db2.gz RWOQNCBDJMWWRR-NGDQXYMTSA-N 2 1 196.338 1.558 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CC[C@H](C)[C@H](C)C1 131906716 573108699 /nfs/dbraw/zinc/10/86/99/573108699.db2.gz GXLVPWVKYOFRET-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1CC[NH2+]CCC[N@H+]1C(C)(C)C 259332772 573109224 /nfs/dbraw/zinc/10/92/24/573109224.db2.gz IZLMLHGAMYWTAA-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@]1([NH3+])CCC[N@@H+]2CCCC[C@H]21 258528207 573108914 /nfs/dbraw/zinc/10/89/14/573108914.db2.gz MZIXACTVRDFMGU-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@]1([NH3+])CCC[N@H+]2CCCC[C@H]21 258528207 573108922 /nfs/dbraw/zinc/10/89/22/573108922.db2.gz MZIXACTVRDFMGU-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP C[NH+](C)CCNC1=[NH+]CCCCC1 88225366 573110644 /nfs/dbraw/zinc/11/06/44/573110644.db2.gz IKHZIRKAEGLSNX-UHFFFAOYSA-N 2 1 183.299 1.110 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](CC[NH2+]C)C1 77271798 573109725 /nfs/dbraw/zinc/10/97/25/573109725.db2.gz ZRYQGRGSLGAALF-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP C[C@@H]1CC[NH2+]CCC[N@H+]1C(C)(C)C 259332774 573109739 /nfs/dbraw/zinc/10/97/39/573109739.db2.gz IZLMLHGAMYWTAA-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)[C@H]1C 259329902 573109871 /nfs/dbraw/zinc/10/98/71/573109871.db2.gz RKDBQOVFBCVKRX-IUCAKERBSA-N 2 1 168.284 1.079 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259332708 573110409 /nfs/dbraw/zinc/11/04/09/573110409.db2.gz IYDFNKZLOVEIFA-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCc1c[nH+]cn1[C@@H](C)CC[NH3+] 308262906 573110852 /nfs/dbraw/zinc/11/08/52/573110852.db2.gz NOISZEKOWZRJTR-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C(C)(C)C1 259330095 573110995 /nfs/dbraw/zinc/11/09/95/573110995.db2.gz IVZKSMYXIJSBHN-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@]1([NH3+])CCC[N@H+]2CCCC[C@@H]21 258528210 573112334 /nfs/dbraw/zinc/11/23/34/573112334.db2.gz MZIXACTVRDFMGU-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP C[NH2+]C[C@@]1(C)CCCC[N@@H+]1C 258528497 573111396 /nfs/dbraw/zinc/11/13/96/573111396.db2.gz CQVNSKUNORLBTI-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP C[NH2+]C[C@@]1(C)CCCC[N@H+]1C 258528497 573111403 /nfs/dbraw/zinc/11/14/03/573111403.db2.gz CQVNSKUNORLBTI-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]CCC1 88225490 573111955 /nfs/dbraw/zinc/11/19/55/573111955.db2.gz BYXZLXBMQNMKCL-SNVBAGLBSA-N 2 1 195.310 1.253 10 0 ADAEMP C[C@]1([NH3+])CCC[N@@H+]2CCCC[C@@H]21 258528210 573112326 /nfs/dbraw/zinc/11/23/26/573112326.db2.gz MZIXACTVRDFMGU-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1C[C@H]1[C@H]1C[C@H]1C 717132279 573112304 /nfs/dbraw/zinc/11/23/04/573112304.db2.gz RWOQNCBDJMWWRR-PZWNZHSQSA-N 2 1 196.338 1.558 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)[C@@H]1C 259329888 573112778 /nfs/dbraw/zinc/11/27/78/573112778.db2.gz RKDBQOVFBCVKRX-BDAKNGLRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H]1[C@H]1C[C@H]1C 717132280 573113206 /nfs/dbraw/zinc/11/32/06/573113206.db2.gz RWOQNCBDJMWWRR-WTPMCQDGSA-N 2 1 196.338 1.558 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C2CC2)[C@@H]1C 259329907 573113305 /nfs/dbraw/zinc/11/33/05/573113305.db2.gz RKDBQOVFBCVKRX-RKDXNWHRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CC[C@]2(CCC[NH2+]C2)[C@H](F)C1 257944753 573113352 /nfs/dbraw/zinc/11/33/52/573113352.db2.gz VNNUUEMQGSDJRQ-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@H]1C[C@]1(C)C[N@H+](C)CC[C@@H](C)[NH3+] 715126679 573113404 /nfs/dbraw/zinc/11/34/04/573113404.db2.gz LNMVKOUZRUCODT-HBNTYKKESA-N 2 1 184.327 1.702 10 0 ADAEMP CCCC[N@H+]1C[C@H](C[NH3+])CC1(C)C 259332707 573113519 /nfs/dbraw/zinc/11/35/19/573113519.db2.gz IYDFNKZLOVEIFA-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@H+]1CCCC[C@@H]1CC[NH3+] 82594379 573113928 /nfs/dbraw/zinc/11/39/28/573113928.db2.gz VIFRDRVDBWKPGE-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP Cc1[nH]c([C@@H]2CC[N@H+](C)C2)cc1C[NH3+] 259332629 573113974 /nfs/dbraw/zinc/11/39/74/573113974.db2.gz UUDLLVZWHIBBLM-SECBINFHSA-N 2 1 193.294 1.201 10 0 ADAEMP C[C@]1(c2c[nH+]ccc2N)CCC[NH2+]1 85698552 573114299 /nfs/dbraw/zinc/11/42/99/573114299.db2.gz CAENXVBUQZXHOP-SNVBAGLBSA-N 2 1 177.251 1.262 10 0 ADAEMP CCCC[NH2+][C@@H](CC)C[NH3+] 104644376 573114430 /nfs/dbraw/zinc/11/44/30/573114430.db2.gz NFZGXGTVEREEKQ-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP Cc1[nH]c([C@H]2CC[N@H+](C)C2)cc1C[NH3+] 259332631 573114556 /nfs/dbraw/zinc/11/45/56/573114556.db2.gz UUDLLVZWHIBBLM-VIFPVBQESA-N 2 1 193.294 1.201 10 0 ADAEMP C[N@H+]1CC[C@@]2(CCC[NH2+]C2)[C@H](F)C1 257944739 573114714 /nfs/dbraw/zinc/11/47/14/573114714.db2.gz VNNUUEMQGSDJRQ-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@H]1CC[N@H+](CC(C)(C)[C@@H](C)[NH3+])C1 85678860 573114775 /nfs/dbraw/zinc/11/47/75/573114775.db2.gz HBAFCCBRZCFVTR-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)C[C@]1(C)C[C@H]1C 715126681 573114808 /nfs/dbraw/zinc/11/48/08/573114808.db2.gz LNMVKOUZRUCODT-MXWKQRLJSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@]1(Cc2c[nH+]ccc2N)CCC[NH2+]1 85698407 573115294 /nfs/dbraw/zinc/11/52/94/573115294.db2.gz ARYBRVFUZPBRFR-NSHDSACASA-N 2 1 191.278 1.348 10 0 ADAEMP CC[N@@H+](C)CC(C)(C)[C@@H](C)[NH2+]C 85678406 573115371 /nfs/dbraw/zinc/11/53/71/573115371.db2.gz CGNSGMBACBLEBZ-SECBINFHSA-N 2 1 172.316 1.572 10 0 ADAEMP C[C@@H]1CC[N@H+](CC(C)(C)[C@@H](C)[NH3+])C1 85678858 573115412 /nfs/dbraw/zinc/11/54/12/573115412.db2.gz HBAFCCBRZCFVTR-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]CCC1=CCC[N@H+](C(C)C)C1 257944192 573115415 /nfs/dbraw/zinc/11/54/15/573115415.db2.gz DRYXGCKKWKLEJW-UHFFFAOYSA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)[NH3+] 85677914 573115545 /nfs/dbraw/zinc/11/55/45/573115545.db2.gz NHVWTHMQNGTQFO-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CC[C@@]2(CCC[NH2+]C2)[C@@H](F)C1 257944749 573116188 /nfs/dbraw/zinc/11/61/88/573116188.db2.gz VNNUUEMQGSDJRQ-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[C@@H](C[NH3+])Nc1cc(C)[nH+]c(C)n1 82591835 573116797 /nfs/dbraw/zinc/11/67/97/573116797.db2.gz IJWHRVAQIGYRMK-VIFPVBQESA-N 2 1 194.282 1.243 10 0 ADAEMP CCCC[NH2+][C@H](CC)C[NH3+] 104644380 573116804 /nfs/dbraw/zinc/11/68/04/573116804.db2.gz NFZGXGTVEREEKQ-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP C[N@H+]1CC[C@]2(CCC[NH2+]C2)[C@@H](F)C1 257944745 573116979 /nfs/dbraw/zinc/11/69/79/573116979.db2.gz VNNUUEMQGSDJRQ-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1CC(C)(C)[C@@H](C)[NH3+] 85677911 573117134 /nfs/dbraw/zinc/11/71/34/573117134.db2.gz NHVWTHMQNGTQFO-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@@]1(C)C[N@H+](C)CC[C@@H](C)[NH3+] 715126676 573117428 /nfs/dbraw/zinc/11/74/28/573117428.db2.gz LNMVKOUZRUCODT-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C[NH3+])Nc1cc(C)[nH+]c(C)n1 82591836 573117489 /nfs/dbraw/zinc/11/74/89/573117489.db2.gz IJWHRVAQIGYRMK-SECBINFHSA-N 2 1 194.282 1.243 10 0 ADAEMP C[C@]1(Cc2cc[nH+]c(N)c2)CCC[NH2+]1 85697865 573117912 /nfs/dbraw/zinc/11/79/12/573117912.db2.gz HQXZLKHQCWXHAN-LLVKDONJSA-N 2 1 191.278 1.348 10 0 ADAEMP C[NH+]1CCC(C[N@@H+](C)CCF)CC1 308273556 573118007 /nfs/dbraw/zinc/11/80/07/573118007.db2.gz UEWVVLDDZPATGS-UHFFFAOYSA-N 2 1 188.290 1.230 10 0 ADAEMP C[C@]1(Cc2c[nH+]ccc2N)CCC[NH2+]1 85698405 573118703 /nfs/dbraw/zinc/11/87/03/573118703.db2.gz ARYBRVFUZPBRFR-LLVKDONJSA-N 2 1 191.278 1.348 10 0 ADAEMP C[C@@]1(Cc2cc[nH+]c(N)c2)CCC[NH2+]1 85697868 573118721 /nfs/dbraw/zinc/11/87/21/573118721.db2.gz HQXZLKHQCWXHAN-NSHDSACASA-N 2 1 191.278 1.348 10 0 ADAEMP C[C@@]1(c2c[nH+]ccc2N)CCC[NH2+]1 85698554 573118872 /nfs/dbraw/zinc/11/88/72/573118872.db2.gz CAENXVBUQZXHOP-JTQLQIEISA-N 2 1 177.251 1.262 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@@H+]1CC(F)F 82596839 573119749 /nfs/dbraw/zinc/11/97/49/573119749.db2.gz FYLRNOKGTRAGQJ-QMMMGPOBSA-N 2 1 192.253 1.455 10 0 ADAEMP [NH3+]CCC[C@H]1CCC[N@H+]1CC(F)F 82596839 573119754 /nfs/dbraw/zinc/11/97/54/573119754.db2.gz FYLRNOKGTRAGQJ-QMMMGPOBSA-N 2 1 192.253 1.455 10 0 ADAEMP CC[C@H]1[C@H](C[NH3+])CCCC[N@H+]1CC 238287717 573120023 /nfs/dbraw/zinc/12/00/23/573120023.db2.gz OCRGXHDBMAYJRN-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1C[NH2+][C@@](C)(CC[NH+]2CCCC2)O1 258479832 573120390 /nfs/dbraw/zinc/12/03/90/573120390.db2.gz LHKHPKYUZPFBIV-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC2([NH3+])CCC2)C1 257947944 573121274 /nfs/dbraw/zinc/12/12/74/573121274.db2.gz IMFRZKCIKFPSKC-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1C[C@@H](Cc2[nH+]ccn2C)CC[NH2+]1 235719330 573122491 /nfs/dbraw/zinc/12/24/91/573122491.db2.gz BQPKZPABXMTUOT-UWVGGRQHSA-N 2 1 193.294 1.351 10 0 ADAEMP CC[N@H+]1CC[C@H](CC2([NH3+])CCC2)C1 257947945 573122707 /nfs/dbraw/zinc/12/27/07/573122707.db2.gz IMFRZKCIKFPSKC-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@@]1(c2c[nH+]ccc2N)CCC[NH2+]1 85699588 573122823 /nfs/dbraw/zinc/12/28/23/573122823.db2.gz QJTPZEATHBWKGL-NSHDSACASA-N 2 1 191.278 1.653 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@H](C)[C@H](C)[NH3+] 252858759 573122840 /nfs/dbraw/zinc/12/28/40/573122840.db2.gz MCMLQNXTDPBQTI-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+]CCCCn1c[nH+]cc1C1CC1 308273858 573123379 /nfs/dbraw/zinc/12/33/79/573123379.db2.gz ULXXLDUWKKNVOP-UHFFFAOYSA-N 2 1 179.267 1.499 10 0 ADAEMP C[C@H]1C[NH2+][C@](C)(CC[NH+]2CCCC2)O1 258479828 573123430 /nfs/dbraw/zinc/12/34/30/573123430.db2.gz LHKHPKYUZPFBIV-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[NH2+]C[C@H](C1CCC1)[NH+](C)C 259337397 573123466 /nfs/dbraw/zinc/12/34/66/573123466.db2.gz FCMVNKZESYYYNI-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@@H](C)[C@H](C)[NH3+] 252858760 573123707 /nfs/dbraw/zinc/12/37/07/573123707.db2.gz MCMLQNXTDPBQTI-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@]1(c2c[nH+]ccc2N)CCC[NH2+]1 85699586 573123816 /nfs/dbraw/zinc/12/38/16/573123816.db2.gz QJTPZEATHBWKGL-LLVKDONJSA-N 2 1 191.278 1.653 10 0 ADAEMP [NH3+]CC1(C[N@@H+]2CC[C@H](F)C2)CCC1 689917719 573123980 /nfs/dbraw/zinc/12/39/80/573123980.db2.gz YYWKHWPUSIGHJW-VIFPVBQESA-N 2 1 186.274 1.159 10 0 ADAEMP [NH3+]CC1(C[N@H+]2CC[C@H](F)C2)CCC1 689917719 573123984 /nfs/dbraw/zinc/12/39/84/573123984.db2.gz YYWKHWPUSIGHJW-VIFPVBQESA-N 2 1 186.274 1.159 10 0 ADAEMP [NH3+]C[C@H]1C2CC(C2)[N@@H+]1C1CCCC1 257950510 573125404 /nfs/dbraw/zinc/12/54/04/573125404.db2.gz WDBHBJDGQQGVNF-RFBVYIQQSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+]C[C@H]1C2CC(C2)[N@H+]1C1CCCC1 257950510 573125408 /nfs/dbraw/zinc/12/54/08/573125408.db2.gz WDBHBJDGQQGVNF-RFBVYIQQSA-N 2 1 180.295 1.351 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](CC)C(N)=[NH2+] 49834036 573124721 /nfs/dbraw/zinc/12/47/21/573124721.db2.gz UBRWEVCLYUKWND-ZETCQYMHSA-N 2 1 180.255 1.333 10 0 ADAEMP [NH3+]C[C@@H]1C2CC(C2)[N@@H+]1C1CCCC1 257950507 573124730 /nfs/dbraw/zinc/12/47/30/573124730.db2.gz WDBHBJDGQQGVNF-BOBPJJCASA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+]C[C@@H]1C2CC(C2)[N@H+]1C1CCCC1 257950507 573124737 /nfs/dbraw/zinc/12/47/37/573124737.db2.gz WDBHBJDGQQGVNF-BOBPJJCASA-N 2 1 180.295 1.351 10 0 ADAEMP CC[NH2+]C[C@@H](C1CCC1)[NH+](C)C 259337393 573124999 /nfs/dbraw/zinc/12/49/99/573124999.db2.gz FCMVNKZESYYYNI-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C 238280974 573125767 /nfs/dbraw/zinc/12/57/67/573125767.db2.gz PAFOVMUPDIQHHB-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C 238280974 573125771 /nfs/dbraw/zinc/12/57/71/573125771.db2.gz PAFOVMUPDIQHHB-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC2([NH3+])CC2)C1 257950938 573125734 /nfs/dbraw/zinc/12/57/34/573125734.db2.gz IODZCVLWELMLED-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@H](CC2([NH3+])CC2)C1 257950937 573126022 /nfs/dbraw/zinc/12/60/22/573126022.db2.gz IODZCVLWELMLED-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@@H](C2([NH3+])CCCC2)C1 257951106 573126215 /nfs/dbraw/zinc/12/62/15/573126215.db2.gz IQRANEZWKVDCTH-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH2+]C)[C@H]1C 259334935 573126370 /nfs/dbraw/zinc/12/63/70/573126370.db2.gz RUWVFHGIHOKBJA-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCc1[nH+]ccn1[C@H](CC)C(N)=[NH2+] 49834038 573126388 /nfs/dbraw/zinc/12/63/88/573126388.db2.gz UBRWEVCLYUKWND-SSDOTTSWSA-N 2 1 180.255 1.333 10 0 ADAEMP CC[C@H](C(N)=[NH2+])n1cc[nH+]c1C(C)C 49834008 573126762 /nfs/dbraw/zinc/12/67/62/573126762.db2.gz SIKGJVVGVDQLGL-MRVPVSSYSA-N 2 1 194.282 1.894 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])n1cc[nH+]c1C(C)C 49834006 573126967 /nfs/dbraw/zinc/12/69/67/573126967.db2.gz SIKGJVVGVDQLGL-QMMMGPOBSA-N 2 1 194.282 1.894 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@H+]1C1CC1 238282397 573126979 /nfs/dbraw/zinc/12/69/79/573126979.db2.gz LIEFQBAVPAZIDX-JLLWLGSASA-N 2 1 194.322 1.611 10 0 ADAEMP CC[N@H+]1CCC=C(CCC[NH3+])C1 257950379 573127402 /nfs/dbraw/zinc/12/74/02/573127402.db2.gz FCVDNDNKILCFRR-UHFFFAOYSA-N 2 1 168.284 1.377 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C)[C@@H]1C 259334937 573127488 /nfs/dbraw/zinc/12/74/88/573127488.db2.gz RUWVFHGIHOKBJA-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1C[C@@H](C[NH2+]C)CC1(C)C 259335787 573127666 /nfs/dbraw/zinc/12/76/66/573127666.db2.gz JBOMWZOFKGYRRT-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C 238282156 573127653 /nfs/dbraw/zinc/12/76/53/573127653.db2.gz AVWUKWOGABVEPK-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H]([NH2+]C)C(C)(C)[NH+](C)C 85737153 573128073 /nfs/dbraw/zinc/12/80/73/573128073.db2.gz BBBFBUZSMVMRSF-QMMMGPOBSA-N 2 1 158.289 1.325 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C)[C@H]1C 259334940 573128586 /nfs/dbraw/zinc/12/85/86/573128586.db2.gz RUWVFHGIHOKBJA-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH2+]C)CC1(C)C 259335791 573128691 /nfs/dbraw/zinc/12/86/91/573128691.db2.gz JBOMWZOFKGYRRT-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP [NH2+]=C(C[NH3+])Nc1ccccc1 104652609 573128874 /nfs/dbraw/zinc/12/88/74/573128874.db2.gz NBPHXPSXBSCYQF-UHFFFAOYSA-N 2 1 149.197 1.034 10 0 ADAEMP C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 259339992 573129604 /nfs/dbraw/zinc/12/96/04/573129604.db2.gz XWVQSKBBSPKABW-VXGBXAGGSA-N 2 1 190.290 1.699 10 0 ADAEMP CC[N@H+]1CC[C@H](C2([NH3+])CCCC2)C1 257951104 573129620 /nfs/dbraw/zinc/12/96/20/573129620.db2.gz IQRANEZWKVDCTH-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@H+]1C(C)C 238282381 573130135 /nfs/dbraw/zinc/13/01/35/573130135.db2.gz XRNGGIDXTGFEEG-UTUOFQBUSA-N 2 1 196.338 1.857 10 0 ADAEMP CCCCN1CCCC[NH2+][C@H](C)C1 259338781 573131242 /nfs/dbraw/zinc/13/12/42/573131242.db2.gz JFCOBHYIPZCBHT-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@@H+]1C 238282365 573130449 /nfs/dbraw/zinc/13/04/49/573130449.db2.gz KSRDAOGTYWFDSS-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@H+]1C 238282365 573130454 /nfs/dbraw/zinc/13/04/54/573130454.db2.gz KSRDAOGTYWFDSS-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H](O)c1ccc2nc(C)[nH]c2c1 259339219 573130508 /nfs/dbraw/zinc/13/05/08/573130508.db2.gz KFZLLSUFEAGKCJ-SNVBAGLBSA-N 2 1 191.234 1.082 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C 238282348 573130523 /nfs/dbraw/zinc/13/05/23/573130523.db2.gz PAFOVMUPDIQHHB-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C 238282348 573130528 /nfs/dbraw/zinc/13/05/28/573130528.db2.gz PAFOVMUPDIQHHB-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCC2)CCCC1 258534010 573130685 /nfs/dbraw/zinc/13/06/85/573130685.db2.gz NTLCSMLLYBQBAR-UHFFFAOYSA-N 2 1 168.284 1.400 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@H]1C[NH3+])CC(C)(C)C 715131319 573130896 /nfs/dbraw/zinc/13/08/96/573130896.db2.gz DXHLZNVXJFZGNG-QWRGUYRKSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[C@@H]1[C@H]([NH3+])CCC[N@H+]1C 238283095 573130901 /nfs/dbraw/zinc/13/09/01/573130901.db2.gz AVWUKWOGABVEPK-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1(C[NH2+]CC[NH3+])CCCC1 82625828 573131025 /nfs/dbraw/zinc/13/10/25/573131025.db2.gz ACGHFOGSOOPTCR-UHFFFAOYSA-N 2 1 156.273 1.115 10 0 ADAEMP CC[C@@H]([NH2+]C)C(C)(C)[NH+](C)C 85737156 573131026 /nfs/dbraw/zinc/13/10/26/573131026.db2.gz BBBFBUZSMVMRSF-MRVPVSSYSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)C(C)(C)[NH+](C)C 85737909 573131175 /nfs/dbraw/zinc/13/11/75/573131175.db2.gz SZEKOTOPPCRKDA-QMMMGPOBSA-N 2 1 158.289 1.325 10 0 ADAEMP CCCC[N@H+]1CCCCN[C@H](C)C1 259338781 573131234 /nfs/dbraw/zinc/13/12/34/573131234.db2.gz JFCOBHYIPZCBHT-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@@H](C[NH2+]C)C1 259339822 573132241 /nfs/dbraw/zinc/13/22/41/573132241.db2.gz SGEBNCAIARGGJC-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP CCc1[nH+]c(C(C)(C)CC[NH3+])[nH]c1C 258533416 573131479 /nfs/dbraw/zinc/13/14/79/573131479.db2.gz IRALRNRWKZEDHX-UHFFFAOYSA-N 2 1 195.310 1.907 10 0 ADAEMP CCc1[nH]c(C(C)(C)CC[NH3+])[nH+]c1C 258533416 573131487 /nfs/dbraw/zinc/13/14/87/573131487.db2.gz IRALRNRWKZEDHX-UHFFFAOYSA-N 2 1 195.310 1.907 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@@H]1C[NH3+])CC(C)(C)C 715131315 573131529 /nfs/dbraw/zinc/13/15/29/573131529.db2.gz DXHLZNVXJFZGNG-MNOVXSKESA-N 2 1 198.354 1.949 10 0 ADAEMP CC1(C[NH2+][C@@H]2CCC[NH2+]C2)CCCC1 82619154 573131618 /nfs/dbraw/zinc/13/16/18/573131618.db2.gz UIYKDWZMKNKMJO-LLVKDONJSA-N 2 1 196.338 1.908 10 0 ADAEMP CC(C)(C[NH3+])[C@H]([NH3+])c1ccccn1 259340115 573131869 /nfs/dbraw/zinc/13/18/69/573131869.db2.gz LNGFONUROKCVRV-SECBINFHSA-N 2 1 179.267 1.066 10 0 ADAEMP C[NH2+][C@@H](O)c1ccc2nc(C)[nH]c2c1 259339215 573132089 /nfs/dbraw/zinc/13/20/89/573132089.db2.gz KFZLLSUFEAGKCJ-JTQLQIEISA-N 2 1 191.234 1.082 10 0 ADAEMP C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 259339990 573132494 /nfs/dbraw/zinc/13/24/94/573132494.db2.gz XWVQSKBBSPKABW-RYUDHWBXSA-N 2 1 190.290 1.699 10 0 ADAEMP C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 259339985 573132817 /nfs/dbraw/zinc/13/28/17/573132817.db2.gz XWVQSKBBSPKABW-NEPJUHHUSA-N 2 1 190.290 1.699 10 0 ADAEMP CCCC[N@H+]1CCCCN[C@@H](C)C1 259338784 573133152 /nfs/dbraw/zinc/13/31/52/573133152.db2.gz JFCOBHYIPZCBHT-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCCCN1CCCC[NH2+][C@@H](C)C1 259338784 573133158 /nfs/dbraw/zinc/13/31/58/573133158.db2.gz JFCOBHYIPZCBHT-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@](C)([C@@H](C)[NH2+]C)[NH+](C)C 85746163 573133452 /nfs/dbraw/zinc/13/34/52/573133452.db2.gz GWBOCNCUPDSOSC-RKDXNWHRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[N@@H+](C[C@H]1C[C@H]1C[NH3+])CC(C)(C)C 715131322 573133598 /nfs/dbraw/zinc/13/35/98/573133598.db2.gz DXHLZNVXJFZGNG-WDEREUQCSA-N 2 1 198.354 1.949 10 0 ADAEMP CC1(C[N@H+]2CC[C@@H](C[NH3+])C2)CCCC1 82625585 573133821 /nfs/dbraw/zinc/13/38/21/573133821.db2.gz ZKJKSOKNRXJEHN-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP CC(C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 131985632 573133907 /nfs/dbraw/zinc/13/39/07/573133907.db2.gz WCVMBQZFTRIKPJ-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC1(C[NH2+][C@H]2CCC[NH2+]C2)CCCC1 82619155 573133951 /nfs/dbraw/zinc/13/39/51/573133951.db2.gz UIYKDWZMKNKMJO-NSHDSACASA-N 2 1 196.338 1.908 10 0 ADAEMP CC1(C[N@H+]2CC[C@H](C[NH3+])C2)CCCC1 82625584 573134523 /nfs/dbraw/zinc/13/45/23/573134523.db2.gz ZKJKSOKNRXJEHN-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP CC[NH2+][C@H](C)[C@](C)(CC)[NH+](C)C 85746743 573134590 /nfs/dbraw/zinc/13/45/90/573134590.db2.gz JCVHVIHFBVOHSI-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@](C)([C@H](C)[NH2+]C)[NH+](C)C 85746169 573134764 /nfs/dbraw/zinc/13/47/64/573134764.db2.gz GWBOCNCUPDSOSC-DTWKUNHWSA-N 2 1 158.289 1.325 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+](C)C1 308279061 573135366 /nfs/dbraw/zinc/13/53/66/573135366.db2.gz WHMWYIJBHRPJMC-GMTAPVOTSA-N 2 1 182.311 1.184 10 0 ADAEMP C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 259339988 573135589 /nfs/dbraw/zinc/13/55/89/573135589.db2.gz XWVQSKBBSPKABW-NWDGAFQWSA-N 2 1 190.290 1.699 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@](C)(CC)[NH+](C)C 85745993 573135799 /nfs/dbraw/zinc/13/57/99/573135799.db2.gz GSMQEXBVQSMEHC-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+][C@H](C)C1([NH+](C)C)CCCC1 85752002 573135830 /nfs/dbraw/zinc/13/58/30/573135830.db2.gz LLOUGXOCNUBPIK-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)(C[NH3+])[C@@H]([NH3+])c1ccccn1 259340117 573135895 /nfs/dbraw/zinc/13/58/95/573135895.db2.gz LNGFONUROKCVRV-VIFPVBQESA-N 2 1 179.267 1.066 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 308279068 573135966 /nfs/dbraw/zinc/13/59/66/573135966.db2.gz WHMWYIJBHRPJMC-VWYCJHECSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@@H+](C)C1 308279062 573136051 /nfs/dbraw/zinc/13/60/51/573136051.db2.gz WHMWYIJBHRPJMC-MXWKQRLJSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@@](C)([C@@H](C)[NH2+]C)[NH+](C)C 85746161 573136272 /nfs/dbraw/zinc/13/62/72/573136272.db2.gz GWBOCNCUPDSOSC-BDAKNGLRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[N@H+]1CCC=C(CC[C@H](C)[NH3+])C1 258235413 573136656 /nfs/dbraw/zinc/13/66/56/573136656.db2.gz WRLSNZWJMOQDLA-JTQLQIEISA-N 2 1 182.311 1.766 10 0 ADAEMP CC(C)=CC[N@@H+]1CCC[C@@H]1C[NH3+] 82633376 573136726 /nfs/dbraw/zinc/13/67/26/573136726.db2.gz QHCBQLGHSXBOAJ-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)=CC[N@H+]1CCC[C@@H]1C[NH3+] 82633376 573136731 /nfs/dbraw/zinc/13/67/31/573136731.db2.gz QHCBQLGHSXBOAJ-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 131985833 573138050 /nfs/dbraw/zinc/13/80/50/573138050.db2.gz WCVMBQZFTRIKPJ-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@H](C[NH2+]C)C1 259341631 573138159 /nfs/dbraw/zinc/13/81/59/573138159.db2.gz SGEBNCAIARGGJC-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@@H](CC[NH3+])n1c[nH+]cc1C1CC1 308280674 573138172 /nfs/dbraw/zinc/13/81/72/573138172.db2.gz XQKJMWOTUQWSGA-QMMMGPOBSA-N 2 1 179.267 1.670 10 0 ADAEMP CC[N@H+]1CCC=C(CC[C@@H](C)[NH3+])C1 258235419 573138436 /nfs/dbraw/zinc/13/84/36/573138436.db2.gz WRLSNZWJMOQDLA-SNVBAGLBSA-N 2 1 182.311 1.766 10 0 ADAEMP CCc1[nH]c(C2(C[NH3+])CC2)nc1C 258480386 573138540 /nfs/dbraw/zinc/13/85/40/573138540.db2.gz BPWYIPRJLQYPNY-UHFFFAOYSA-N 2 1 179.267 1.271 10 0 ADAEMP Nc1cc[nH+]cc1[C@H]1CCC[NH2+]1 104660128 573139621 /nfs/dbraw/zinc/13/96/21/573139621.db2.gz LOZJLVACWVBBIR-SECBINFHSA-N 2 1 163.224 1.088 10 0 ADAEMP CC(C)c1[nH+]ccn1C(C)(C)C[NH3+] 82635213 573139682 /nfs/dbraw/zinc/13/96/82/573139682.db2.gz UKNKYFRVGBPVEO-UHFFFAOYSA-N 2 1 181.283 1.700 10 0 ADAEMP C[N@@H+]1CC[C@H](C2CCC2)[C@H]1C[NH3+] 258550640 573139944 /nfs/dbraw/zinc/13/99/44/573139944.db2.gz PIANTZSQXYYTFC-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCC2)[C@H]1C[NH3+] 258550640 573139949 /nfs/dbraw/zinc/13/99/49/573139949.db2.gz PIANTZSQXYYTFC-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)=CC[N@@H+]1CCC[C@H]1C[NH3+] 82633378 573140498 /nfs/dbraw/zinc/14/04/98/573140498.db2.gz QHCBQLGHSXBOAJ-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)=CC[N@H+]1CCC[C@H]1C[NH3+] 82633378 573140502 /nfs/dbraw/zinc/14/05/02/573140502.db2.gz QHCBQLGHSXBOAJ-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH+](C)[C@H]1C[NH2+]CC[C@@H]1C1CCCC1 238299622 573140608 /nfs/dbraw/zinc/14/06/08/573140608.db2.gz WFKCHQQCKPIJSS-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CC[N@H+]1CCCC[C@H]21 257737453 573140621 /nfs/dbraw/zinc/14/06/21/573140621.db2.gz BHHSSMURBLLSDM-QJPTWQEYSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CC[N@@H+]1CCCC[C@H]21 257737453 573140626 /nfs/dbraw/zinc/14/06/26/573140626.db2.gz BHHSSMURBLLSDM-QJPTWQEYSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH+](C)[C@H]1C[NH2+]CC[C@@H]1CC1CC1 238299634 573141037 /nfs/dbraw/zinc/14/10/37/573141037.db2.gz FDSZBJZRKIBXSH-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CC[N@H+]1CCCC[C@@H]21 257737454 573141401 /nfs/dbraw/zinc/14/14/01/573141401.db2.gz BHHSSMURBLLSDM-SDDRHHMPSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CC[N@@H+]1CCCC[C@@H]21 257737454 573141406 /nfs/dbraw/zinc/14/14/06/573141406.db2.gz BHHSSMURBLLSDM-SDDRHHMPSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH+](C)[C@H]1C[NH2+]CC[C@H]1CC1CC1 238299690 573141584 /nfs/dbraw/zinc/14/15/84/573141584.db2.gz FDSZBJZRKIBXSH-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP C1CC[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3[C@@H]2C1 257737462 573141743 /nfs/dbraw/zinc/14/17/43/573141743.db2.gz BKXWAWPSRXEFIX-UTUOFQBUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+][C@@H]2[C@H](C1)CC[N@H+]1CCCC[C@H]21 257737452 573141815 /nfs/dbraw/zinc/14/18/15/573141815.db2.gz BHHSSMURBLLSDM-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+][C@@H]2[C@H](C1)CC[N@@H+]1CCCC[C@H]21 257737452 573141821 /nfs/dbraw/zinc/14/18/21/573141821.db2.gz BHHSSMURBLLSDM-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)[NH+](C)C 308507984 573142101 /nfs/dbraw/zinc/14/21/01/573142101.db2.gz JNIGTGXYKNHXLR-TUAOUCFPSA-N 2 1 198.354 1.818 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCC(N)=[NH2+])C1 40718402 573142574 /nfs/dbraw/zinc/14/25/74/573142574.db2.gz VEFGKFIQULRYMM-QMMMGPOBSA-N 2 1 169.272 1.044 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1C 82646956 573143317 /nfs/dbraw/zinc/14/33/17/573143317.db2.gz SWCDGOSSMZCREE-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C 82646957 573142872 /nfs/dbraw/zinc/14/28/72/573142872.db2.gz SWCDGOSSMZCREE-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C 82646957 573142884 /nfs/dbraw/zinc/14/28/84/573142884.db2.gz SWCDGOSSMZCREE-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C 82647095 573143090 /nfs/dbraw/zinc/14/30/90/573143090.db2.gz WCFKLAWUUMMEEU-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C 82647095 573143096 /nfs/dbraw/zinc/14/30/96/573143096.db2.gz WCFKLAWUUMMEEU-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C1C[NH2+][C@@H]2[C@@H](C1)CC[N@H+]1CCC[C@@H]21 257738177 573143294 /nfs/dbraw/zinc/14/32/94/573143294.db2.gz CBNWYCMAPOWEMT-GARJFASQSA-N 2 1 180.295 1.223 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1C 82646956 573143321 /nfs/dbraw/zinc/14/33/21/573143321.db2.gz SWCDGOSSMZCREE-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP [NH3+][C@@H](c1cccs1)[C@@H]1CCC[NH2+]C1 259345989 573143341 /nfs/dbraw/zinc/14/33/41/573143341.db2.gz LULHSEDWHOTEGF-PSASIEDQSA-N 2 1 196.319 1.748 10 0 ADAEMP C[NH2+]CC[C@H](C)c1c[nH+]ccc1OC 308507757 573143361 /nfs/dbraw/zinc/14/33/61/573143361.db2.gz QGVPQWHYZJYANY-VIFPVBQESA-N 2 1 194.278 1.803 10 0 ADAEMP C1C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]3[C@@H]2C1 257737460 573143444 /nfs/dbraw/zinc/14/34/44/573143444.db2.gz BKXWAWPSRXEFIX-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@H+]2[C@H](C1)C[C@H]1[NH2+]CCC[C@H]12 257738229 573143488 /nfs/dbraw/zinc/14/34/88/573143488.db2.gz CZDLGLLKSCKRCN-GMTAPVOTSA-N 2 1 180.295 1.365 10 0 ADAEMP C[NH+](C)[C@@H]1C[NH2+]CC[C@@H]1CC1CC1 238290095 573143584 /nfs/dbraw/zinc/14/35/84/573143584.db2.gz FDSZBJZRKIBXSH-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C1C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3[C@H]2C1 257737373 573143598 /nfs/dbraw/zinc/14/35/98/573143598.db2.gz AJUCZQSPZWDULM-AXFHLTTASA-N 2 1 180.295 1.223 10 0 ADAEMP C[NH+](C)[C@@H]1C[NH2+]CC[C@H]1CC1CC1 238290164 573143736 /nfs/dbraw/zinc/14/37/36/573143736.db2.gz FDSZBJZRKIBXSH-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](C)C1 308508034 573144105 /nfs/dbraw/zinc/14/41/05/573144105.db2.gz JOTYECLZBWHXNT-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]3CCC[NH2+][C@H]3[C@@H]2C1 257737451 573144260 /nfs/dbraw/zinc/14/42/60/573144260.db2.gz BHHSSMURBLLSDM-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@H+]2CC[C@H]3CCC[NH2+][C@H]3[C@@H]2C1 257737451 573144267 /nfs/dbraw/zinc/14/42/67/573144267.db2.gz BHHSSMURBLLSDM-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C 82646959 573144271 /nfs/dbraw/zinc/14/42/71/573144271.db2.gz SWCDGOSSMZCREE-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C 82646959 573144284 /nfs/dbraw/zinc/14/42/84/573144284.db2.gz SWCDGOSSMZCREE-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]([NH3+])c1ccc[nH]1 259346114 573144343 /nfs/dbraw/zinc/14/43/43/573144343.db2.gz JPWRHZILZCALFU-PSASIEDQSA-N 2 1 181.283 1.260 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]([NH3+])c1ccc[nH]1 259346116 573144433 /nfs/dbraw/zinc/14/44/33/573144433.db2.gz JPWRHZILZCALFU-SCZZXKLOSA-N 2 1 181.283 1.260 10 0 ADAEMP CC(C)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[NH+](C)C 308507988 573144465 /nfs/dbraw/zinc/14/44/65/573144465.db2.gz JNIGTGXYKNHXLR-WOPDTQHZSA-N 2 1 198.354 1.818 10 0 ADAEMP C1C[NH2+][C@H]2C[C@H]3CCCC[N@@H+]3[C@H]2C1 257738231 573144523 /nfs/dbraw/zinc/14/45/23/573144523.db2.gz CZDLGLLKSCKRCN-VWYCJHECSA-N 2 1 180.295 1.365 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1C 82647096 573144561 /nfs/dbraw/zinc/14/45/61/573144561.db2.gz WCFKLAWUUMMEEU-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1C 82647096 573144568 /nfs/dbraw/zinc/14/45/68/573144568.db2.gz WCFKLAWUUMMEEU-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCC(N)=[NH2+])C1 40718401 573144569 /nfs/dbraw/zinc/14/45/69/573144569.db2.gz VEFGKFIQULRYMM-MRVPVSSYSA-N 2 1 169.272 1.044 10 0 ADAEMP CC[N@H+]1CC[C@H](CC[NH3+])C(C)(C)C1 259346515 573144582 /nfs/dbraw/zinc/14/45/82/573144582.db2.gz SUEUPFLIMOXZJP-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CCC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](C)C1 308508033 573144710 /nfs/dbraw/zinc/14/47/10/573144710.db2.gz JOTYECLZBWHXNT-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP C1C[NH2+][C@H]2[C@@H]3CCC[N@@H+]3CC[C@H]2C1 257738179 573144776 /nfs/dbraw/zinc/14/47/76/573144776.db2.gz CBNWYCMAPOWEMT-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP [NH3+][C@@H](c1cccs1)[C@H]1CCC[NH2+]C1 259345999 573144842 /nfs/dbraw/zinc/14/48/42/573144842.db2.gz LULHSEDWHOTEGF-WCBMZHEXSA-N 2 1 196.319 1.748 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1C 82647094 573145022 /nfs/dbraw/zinc/14/50/22/573145022.db2.gz WCFKLAWUUMMEEU-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1C 82647094 573145030 /nfs/dbraw/zinc/14/50/30/573145030.db2.gz WCFKLAWUUMMEEU-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP C1C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]3[C@H]2C1 257737461 573145039 /nfs/dbraw/zinc/14/50/39/573145039.db2.gz BKXWAWPSRXEFIX-QJPTWQEYSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+](C)C[C@H]1C[C@H]1C 82648281 573145163 /nfs/dbraw/zinc/14/51/63/573145163.db2.gz DCVGJHUDCSLXSK-OPRDCNLKSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+](C)C[C@H]1C[C@H]1C 82648281 573145169 /nfs/dbraw/zinc/14/51/69/573145169.db2.gz DCVGJHUDCSLXSK-OPRDCNLKSA-N 2 1 170.300 1.182 10 0 ADAEMP C[NH+](C)[C@@H]1C[NH2+]CC[C@H]1C1CCCC1 238290149 573145203 /nfs/dbraw/zinc/14/52/03/573145203.db2.gz WFKCHQQCKPIJSS-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C1CC[N@H+]2[C@H](C1)C[C@@H]1[NH2+]CCC[C@H]12 257738230 573145236 /nfs/dbraw/zinc/14/52/36/573145236.db2.gz CZDLGLLKSCKRCN-OUAUKWLOSA-N 2 1 180.295 1.365 10 0 ADAEMP C1C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3[C@@H]2C1 257737376 573145423 /nfs/dbraw/zinc/14/54/23/573145423.db2.gz AJUCZQSPZWDULM-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C2CCCC2)C1 82645510 573145517 /nfs/dbraw/zinc/14/55/17/573145517.db2.gz MWYQJXYVPDQRNH-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH+](C)[C@@H]1C[NH2+]CC[C@@H]1C1CCCC1 238290081 573145745 /nfs/dbraw/zinc/14/57/45/573145745.db2.gz WFKCHQQCKPIJSS-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]([NH3+])Cc1[nH+]ccc2[nH]ccc12 89220529 573145766 /nfs/dbraw/zinc/14/57/66/573145766.db2.gz FCXITERIBVFEIP-SSDOTTSWSA-N 2 1 175.235 1.453 10 0 ADAEMP C[NH2+]CC[C@@H](C)c1c[nH+]ccc1OC 308507755 573146188 /nfs/dbraw/zinc/14/61/88/573146188.db2.gz QGVPQWHYZJYANY-SECBINFHSA-N 2 1 194.278 1.803 10 0 ADAEMP C[N@@H+]1CC[C@@H](C2CCC2)[C@@H]1C[NH3+] 258550651 573146468 /nfs/dbraw/zinc/14/64/68/573146468.db2.gz PIANTZSQXYYTFC-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCC2)[C@@H]1C[NH3+] 258550651 573146471 /nfs/dbraw/zinc/14/64/71/573146471.db2.gz PIANTZSQXYYTFC-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H](C)C[C@@H]([NH3+])C[NH+](C)C 85797877 573146607 /nfs/dbraw/zinc/14/66/07/573146607.db2.gz HRMSDCHVLXALGL-DTWKUNHWSA-N 2 1 158.289 1.312 10 0 ADAEMP C[NH2+][C@H](C)[C@H]1CCC[N@H+](C(C)C)C1 82646506 573147130 /nfs/dbraw/zinc/14/71/30/573147130.db2.gz KYBRDSZBNFVKED-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]([NH3+])c1ccc[nH]1 259346123 573147160 /nfs/dbraw/zinc/14/71/60/573147160.db2.gz JPWRHZILZCALFU-WPRPVWTQSA-N 2 1 181.283 1.260 10 0 ADAEMP C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 82646507 573147215 /nfs/dbraw/zinc/14/72/15/573147215.db2.gz KYBRDSZBNFVKED-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C2CCCC2)C1 82645508 573147500 /nfs/dbraw/zinc/14/75/00/573147500.db2.gz MWYQJXYVPDQRNH-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C 82647097 573148634 /nfs/dbraw/zinc/14/86/34/573148634.db2.gz WCFKLAWUUMMEEU-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C 82647097 573148639 /nfs/dbraw/zinc/14/86/39/573148639.db2.gz WCFKLAWUUMMEEU-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP [NH3+][C@H](c1cccs1)[C@@H]1CCC[NH2+]C1 259345993 573148619 /nfs/dbraw/zinc/14/86/19/573148619.db2.gz LULHSEDWHOTEGF-SCZZXKLOSA-N 2 1 196.319 1.748 10 0 ADAEMP C[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1C 82646958 573148823 /nfs/dbraw/zinc/14/88/23/573148823.db2.gz SWCDGOSSMZCREE-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1C 82646958 573148828 /nfs/dbraw/zinc/14/88/28/573148828.db2.gz SWCDGOSSMZCREE-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC(C)C[N@H+]1CCNC(C)(C)CC1 259343693 573149143 /nfs/dbraw/zinc/14/91/43/573149143.db2.gz SLFPMEDCHGPLJH-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)CN1CC[NH2+]C(C)(C)CC1 259343693 573149149 /nfs/dbraw/zinc/14/91/49/573149149.db2.gz SLFPMEDCHGPLJH-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC[NH3+])C(C)(C)C1 259346517 573149485 /nfs/dbraw/zinc/14/94/85/573149485.db2.gz SUEUPFLIMOXZJP-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[NH2+]CC2(C)CC2)C1 308504132 573149701 /nfs/dbraw/zinc/14/97/01/573149701.db2.gz HXDFQMDWBGWGBJ-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@@H+]1CC[C@H](C2CCC2)[C@@H]1C[NH3+] 258550672 573149785 /nfs/dbraw/zinc/14/97/85/573149785.db2.gz PIANTZSQXYYTFC-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCC2)[C@@H]1C[NH3+] 258550672 573149790 /nfs/dbraw/zinc/14/97/90/573149790.db2.gz PIANTZSQXYYTFC-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCC[NH2+]CC1 82666658 573149904 /nfs/dbraw/zinc/14/99/04/573149904.db2.gz XEJHQGCTJVNELV-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])CC1CCC1 85798585 573150426 /nfs/dbraw/zinc/15/04/26/573150426.db2.gz VHYGEKRYCFPOEL-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH2+]CC2(C)CC2)C1 308504133 573150555 /nfs/dbraw/zinc/15/05/55/573150555.db2.gz HXDFQMDWBGWGBJ-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP [NH3+][C@H](C[C@@H]1CCC[NH2+]1)c1cccnc1 259345960 573150606 /nfs/dbraw/zinc/15/06/06/573150606.db2.gz LUDVUYBTJRKZCX-WDEREUQCSA-N 2 1 191.278 1.224 10 0 ADAEMP [NH3+][C@H](C[C@H]1CCC[NH2+]1)c1cccnc1 259345946 573150683 /nfs/dbraw/zinc/15/06/83/573150683.db2.gz LUDVUYBTJRKZCX-GHMZBOCLSA-N 2 1 191.278 1.224 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCC[NH2+]CC1 82666613 573150761 /nfs/dbraw/zinc/15/07/61/573150761.db2.gz HOVRJQFXFWXPOO-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@@H](c1ccc(F)cc1)C1(N)CC1 259345604 573150782 /nfs/dbraw/zinc/15/07/82/573150782.db2.gz SVEBTTQWEAIQQE-JTQLQIEISA-N 2 1 194.253 1.578 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 82666652 573151382 /nfs/dbraw/zinc/15/13/82/573151382.db2.gz ANWBFXXSXFBPIR-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CCC[NH2+]CC1 82666590 573151511 /nfs/dbraw/zinc/15/15/11/573151511.db2.gz BCCWTAXNYLULHF-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[NH2+]CC1 82666949 573151581 /nfs/dbraw/zinc/15/15/81/573151581.db2.gz FQIKKODPVMXBNL-SNVBAGLBSA-N 2 1 179.267 1.506 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])C1CCCC1 85798408 573151626 /nfs/dbraw/zinc/15/16/26/573151626.db2.gz VHLDQVRJXUVPQW-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 308504070 573151699 /nfs/dbraw/zinc/15/16/99/573151699.db2.gz CNGRGJFDQJGNQB-WOPDTQHZSA-N 2 1 198.354 1.948 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])C1CCCCC1 85798197 573151885 /nfs/dbraw/zinc/15/18/85/573151885.db2.gz IXMISKMRXSRNAV-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CCC[C@@H]([C@H]([NH3+])C[NH+](C)C)C1 85798018 573151921 /nfs/dbraw/zinc/15/19/21/573151921.db2.gz RKPZMIUXINWPCL-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+]C[C@@]1(C2CCCC2)CCC[NH2+]1 258542914 573151936 /nfs/dbraw/zinc/15/19/36/573151936.db2.gz DNRXZCYXEFYCCK-SNVBAGLBSA-N 2 1 168.284 1.258 10 0 ADAEMP 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/nfs/dbraw/zinc/15/56/97/573155697.db2.gz SVEBTTQWEAIQQE-SNVBAGLBSA-N 2 1 194.253 1.578 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 82666651 573155740 /nfs/dbraw/zinc/15/57/40/573155740.db2.gz ANWBFXXSXFBPIR-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[NH2+]CC2)c1C 82666989 573155849 /nfs/dbraw/zinc/15/58/49/573155849.db2.gz MSSUJMWKFMFPMU-LLVKDONJSA-N 2 1 193.294 1.815 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 82666762 573155931 /nfs/dbraw/zinc/15/59/31/573155931.db2.gz ZOTAIFXDSGSWKO-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]C[C@@]1(CC(C)C)CCC[N@H+]1C 258543035 573156037 /nfs/dbraw/zinc/15/60/37/573156037.db2.gz DPZMFEAOAUKHJT-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@@]1(C)[NH2+]CCO1 258542808 573156433 /nfs/dbraw/zinc/15/64/33/573156433.db2.gz OFTDLGPAMZOOJN-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@]1(C)[NH2+]CCO1 258542808 573156439 /nfs/dbraw/zinc/15/64/39/573156439.db2.gz 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573180400 /nfs/dbraw/zinc/18/04/00/573180400.db2.gz UOFDDBQCPTYITF-NXEZZACHSA-N 2 1 168.284 1.280 10 0 ADAEMP CC[C@]1(C)NCCC[N@@H+]1C(C)C 238306537 573180812 /nfs/dbraw/zinc/18/08/12/573180812.db2.gz DEZFNHUAZWOJMU-SNVBAGLBSA-N 2 1 170.300 1.816 10 0 ADAEMP C[C@@H]1CC[C@H]2C[NH2+]CC[C@H]2[N@H+]1C 251587503 573180518 /nfs/dbraw/zinc/18/05/18/573180518.db2.gz CEUNHBLRICLKKZ-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CCC(C)(C)[NH3+] 82773018 573180857 /nfs/dbraw/zinc/18/08/57/573180857.db2.gz XYHCLAJGWRUORX-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H]([NH+](C)C)C(C)(C)[NH2+]C 259360348 573181070 /nfs/dbraw/zinc/18/10/70/573181070.db2.gz FXKOUSMMMZFTPP-MRVPVSSYSA-N 2 1 158.289 1.325 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])C1CC1 82772877 573181075 /nfs/dbraw/zinc/18/10/75/573181075.db2.gz HELXTQOUSHYMPY-UHFFFAOYSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC(C)(C)[NH3+])C1 82773092 573181172 /nfs/dbraw/zinc/18/11/72/573181172.db2.gz YIVJEDMDVRLQBC-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)CCC(C)(C)[NH3+] 82772871 573181324 /nfs/dbraw/zinc/18/13/24/573181324.db2.gz XNBPYFDMEXIUDW-UHFFFAOYSA-N 2 1 144.262 1.066 10 0 ADAEMP C[C@@H]1CC[C@@H]2C[NH2+]CC[C@H]2[N@H+]1C 251587514 573181403 /nfs/dbraw/zinc/18/14/03/573181403.db2.gz CEUNHBLRICLKKZ-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[C@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 308295426 573181496 /nfs/dbraw/zinc/18/14/96/573181496.db2.gz ULLJSUYSSWCCAS-ONGXEEELSA-N 2 1 184.327 1.605 10 0 ADAEMP CCc1[nH]c([C@@H]2CC[NH2+]C2)c(C)[nH+]1 257960792 573182670 /nfs/dbraw/zinc/18/26/70/573182670.db2.gz XHTFESBPZZLONQ-MRVPVSSYSA-N 2 1 179.267 1.357 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H](C)C[NH2+]C 82763222 573181765 /nfs/dbraw/zinc/18/17/65/573181765.db2.gz IZUZBGRASFYEHP-SNVBAGLBSA-N 2 1 195.310 1.691 10 0 ADAEMP C[N@@H+]1CCC[C@H]2CCC(C)(C)[NH2+][C@@H]21 238305649 573181861 /nfs/dbraw/zinc/18/18/61/573181861.db2.gz NOXCQSOJQKDCMJ-VHSXEESVSA-N 2 1 182.311 1.816 10 0 ADAEMP C[N@H+]1CCC[C@H]2CCC(C)(C)[NH2+][C@@H]21 238305649 573181867 /nfs/dbraw/zinc/18/18/67/573181867.db2.gz NOXCQSOJQKDCMJ-VHSXEESVSA-N 2 1 182.311 1.816 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC(C)(C)[NH3+] 82773012 573181989 /nfs/dbraw/zinc/18/19/89/573181989.db2.gz CTUHSDPKEGFTEP-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1C[C@@H]1C[NH3+] 715134152 573181999 /nfs/dbraw/zinc/18/19/99/573181999.db2.gz VFQYRRKYTLOMAA-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 308295414 573182852 /nfs/dbraw/zinc/18/28/52/573182852.db2.gz ULLJSUYSSWCCAS-GXSJLCMTSA-N 2 1 184.327 1.605 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])[C@H](C)C(C)C 308294563 573182487 /nfs/dbraw/zinc/18/24/87/573182487.db2.gz RLYPJYGEJBFRHQ-AXFHLTTASA-N 2 1 186.343 1.994 10 0 ADAEMP CC(C)[N@@H+](C)CCC(C)(C)[NH3+] 82772843 573182508 /nfs/dbraw/zinc/18/25/08/573182508.db2.gz DQZXBWPPTXKNCJ-UHFFFAOYSA-N 2 1 158.289 1.454 10 0 ADAEMP CC[C@]1([NH3+])C[C@@](C)(CC)[NH+]=C1N 238305287 573182514 /nfs/dbraw/zinc/18/25/14/573182514.db2.gz VVTNFBPLCZIMFC-BDAKNGLRSA-N 2 1 169.272 1.233 10 0 ADAEMP CC(C)(C)[NH2+][C@@H](C[NH3+])C1CC1 258486027 573182660 /nfs/dbraw/zinc/18/26/60/573182660.db2.gz JQJFUINDDMUDJY-QMMMGPOBSA-N 2 1 156.273 1.112 10 0 ADAEMP C[NH2+]CCCC[N@H+]1CC[C@H](C)[C@@H](C)C1 132039094 573188121 /nfs/dbraw/zinc/18/81/21/573188121.db2.gz RUQKEVRVAHOPTR-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[NH2+]CC[C@H]1C 259360009 573184722 /nfs/dbraw/zinc/18/47/22/573184722.db2.gz KFNRJNOBHXIARD-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)([NH3+])CC[N@H+]1CCCC1(C)C 82773394 573184781 /nfs/dbraw/zinc/18/47/81/573184781.db2.gz KBRNTKMIGXRSAM-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP CC(C)[C@@H](C)[C@@H](C[NH3+])[NH2+]CC1CC1 308295422 573184828 /nfs/dbraw/zinc/18/48/28/573184828.db2.gz ULLJSUYSSWCCAS-MWLCHTKSSA-N 2 1 184.327 1.605 10 0 ADAEMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1C[C@H]1C[NH3+] 715134151 573184964 /nfs/dbraw/zinc/18/49/64/573184964.db2.gz VFQYRRKYTLOMAA-SRVKXCTJSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[N@@H+](CCOC)CCC(C)(C)[NH3+] 82773156 573185054 /nfs/dbraw/zinc/18/50/54/573185054.db2.gz UAEQTEJGUFRVMT-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCc1[nH]c([C@H]2CC[NH2+]C2)c(C)[nH+]1 257960796 573185206 /nfs/dbraw/zinc/18/52/06/573185206.db2.gz XHTFESBPZZLONQ-QMMMGPOBSA-N 2 1 179.267 1.357 10 0 ADAEMP CC(C)[C@@H](C)[C@H](C[NH3+])[NH2+]CC1CC1 308295418 573185291 /nfs/dbraw/zinc/18/52/91/573185291.db2.gz ULLJSUYSSWCCAS-KOLCDFICSA-N 2 1 184.327 1.605 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC2([NH3+])CCCC2)C1 82773091 573185626 /nfs/dbraw/zinc/18/56/26/573185626.db2.gz ZJYRAWMVGFQSCJ-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](C)[C@@H]1C 224671108 573185762 /nfs/dbraw/zinc/18/57/62/573185762.db2.gz LCDSTKRZGDHNES-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2C[C@H]2C2CC2)C1 716564908 573186050 /nfs/dbraw/zinc/18/60/50/573186050.db2.gz LXGCTHUPVOTQND-WOPDTQHZSA-N 2 1 194.322 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+]([C@H]2C[C@H]2C2CC2)C1 716564908 573186056 /nfs/dbraw/zinc/18/60/56/573186056.db2.gz LXGCTHUPVOTQND-WOPDTQHZSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[N@@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259361363 573186305 /nfs/dbraw/zinc/18/63/05/573186305.db2.gz ULRDBPMBMKVUTC-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259361363 573186313 /nfs/dbraw/zinc/18/63/13/573186313.db2.gz ULRDBPMBMKVUTC-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1CCC(C)(C)[NH3+] 642863786 573186409 /nfs/dbraw/zinc/18/64/09/573186409.db2.gz XXZNYXLKGMAQCF-AOOOYVTPSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[N@@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259361362 573187463 /nfs/dbraw/zinc/18/74/63/573187463.db2.gz ULRDBPMBMKVUTC-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259361362 573187466 /nfs/dbraw/zinc/18/74/66/573187466.db2.gz ULRDBPMBMKVUTC-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH3+])C1(C)C 259362963 573187556 /nfs/dbraw/zinc/18/75/56/573187556.db2.gz KIRPTFHRWGYSRB-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])CC12CCCCC2 238306083 573188078 /nfs/dbraw/zinc/18/80/78/573188078.db2.gz RBEYPFDOISSKMN-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)C[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 74310690 573188623 /nfs/dbraw/zinc/18/86/23/573188623.db2.gz OEBDBXYQIKEWLW-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1C 74310668 573189827 /nfs/dbraw/zinc/18/98/27/573189827.db2.gz AXPPLWOWXFAJQY-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CCC[C@@H]2C[NH2+]CCC[C@@H]21 238302163 573190145 /nfs/dbraw/zinc/19/01/45/573190145.db2.gz CHIXSJOCNPNRMA-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH+](C)[C@@H](C[NH3+])CC1CCCC1 74310706 573190259 /nfs/dbraw/zinc/19/02/59/573190259.db2.gz WTDQMAGBSHRDNL-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[C@@H]1C[C@H]([NH3+])C[N@H+](C)C1 74310654 573190504 /nfs/dbraw/zinc/19/05/04/573190504.db2.gz PXLPPNNLSMKJKF-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74310654 573190505 /nfs/dbraw/zinc/19/05/05/573190505.db2.gz PXLPPNNLSMKJKF-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CCCCC[N@@H+]1C[C@@H]([NH3+])CC1(C)C 259363032 573190649 /nfs/dbraw/zinc/19/06/49/573190649.db2.gz KJJGUOVCWSEHFI-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]([NH3+])CC1(C)C 259363032 573190652 /nfs/dbraw/zinc/19/06/52/573190652.db2.gz KJJGUOVCWSEHFI-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[N@@H+]1C[C@H]([NH3+])CC1(C)C 259363033 573190712 /nfs/dbraw/zinc/19/07/12/573190712.db2.gz KJJGUOVCWSEHFI-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCCC[N@H+]1C[C@H]([NH3+])CC1(C)C 259363033 573190721 /nfs/dbraw/zinc/19/07/21/573190721.db2.gz KJJGUOVCWSEHFI-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@]1(C)CC[NH2+]C1 258572490 573191022 /nfs/dbraw/zinc/19/10/22/573191022.db2.gz RSUGQFIGDFCIPM-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@@H+]1CCC[C@@H]2CC(C)(C)[NH2+][C@@H]21 238302046 573191231 /nfs/dbraw/zinc/19/12/31/573191231.db2.gz JZMWWEKRZYZCAK-RKDXNWHRSA-N 2 1 168.284 1.426 10 0 ADAEMP C[N@H+]1CCC[C@@H]2CC(C)(C)[NH2+][C@@H]21 238302046 573191235 /nfs/dbraw/zinc/19/12/35/573191235.db2.gz JZMWWEKRZYZCAK-RKDXNWHRSA-N 2 1 168.284 1.426 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C[C@@H]1[C@H]2CCCC[C@H]21 393617264 573191375 /nfs/dbraw/zinc/19/13/75/573191375.db2.gz MISAHTJMJDDBHI-WYUUTHIRSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH3+])C1(C)C 259362961 573191618 /nfs/dbraw/zinc/19/16/18/573191618.db2.gz KIRPTFHRWGYSRB-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+]1CCC[C@@H]2CCC[NH2+]C[C@@H]21 238302099 573191805 /nfs/dbraw/zinc/19/18/05/573191805.db2.gz TWKBIFFPUBRNHU-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCC[C@@H]2CCC[NH2+]C[C@@H]21 238302099 573191812 /nfs/dbraw/zinc/19/18/12/573191812.db2.gz TWKBIFFPUBRNHU-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]Cc1coc(C[NH+]2CC=CC2)c1 308516090 573191881 /nfs/dbraw/zinc/19/18/81/573191881.db2.gz NLZNBZGCBDQMGP-UHFFFAOYSA-N 2 1 192.262 1.371 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])[C@@H]2CCCC[C@@H]2C1(C)C 238302168 573191972 /nfs/dbraw/zinc/19/19/72/573191972.db2.gz WSNCUOLDXPXJMK-OUAUKWLOSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])[C@@H]2CCCC[C@@H]2C1(C)C 238302168 573191975 /nfs/dbraw/zinc/19/19/75/573191975.db2.gz WSNCUOLDXPXJMK-OUAUKWLOSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)C[C@H]1C[C@@H]([NH3+])C[N@H+](C)C1 74310658 573191982 /nfs/dbraw/zinc/19/19/82/573191982.db2.gz PXLPPNNLSMKJKF-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1C[C@@H]([NH3+])C[N@@H+](C)C1 74310658 573191992 /nfs/dbraw/zinc/19/19/92/573191992.db2.gz PXLPPNNLSMKJKF-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 74310691 573192116 /nfs/dbraw/zinc/19/21/16/573192116.db2.gz OEBDBXYQIKEWLW-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@]1(C)CC[NH2+]C1 258572484 573192238 /nfs/dbraw/zinc/19/22/38/573192238.db2.gz RSUGQFIGDFCIPM-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H](C)[C@H]1C[C@H]([NH3+])CC[N@H+]1C 74310685 573193141 /nfs/dbraw/zinc/19/31/41/573193141.db2.gz QGZHOGWFZWBITJ-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP CC1([N@H+]2CC[C@@H](C[NH3+])C2)CCCC1 82785596 573193264 /nfs/dbraw/zinc/19/32/64/573193264.db2.gz SHGOUKJMDLDRFD-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@H](C)[C@@H]1C[C@H]([NH3+])C[N@H+](C)C1 74310661 573193278 /nfs/dbraw/zinc/19/32/78/573193278.db2.gz RXEQELZGERVOJZ-AEJSXWLSSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[C@@H]1C[C@H]([NH3+])C[N@@H+](C)C1 74310661 573193285 /nfs/dbraw/zinc/19/32/85/573193285.db2.gz RXEQELZGERVOJZ-AEJSXWLSSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+]CC[C@H]1[NH2+]CCc2ccccc21 258238544 573193343 /nfs/dbraw/zinc/19/33/43/573193343.db2.gz SGTQLOSKOOLQIO-GFCCVEGCSA-N 2 1 190.290 1.483 10 0 ADAEMP CC(C)C[C@H]1C[C@H]([NH3+])CC[N@H+]1C 74310677 573193484 /nfs/dbraw/zinc/19/34/84/573193484.db2.gz JZNPJBWSOSUVQO-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH2+]CC[NH2+]C1(C)CCCC1 82785917 573193785 /nfs/dbraw/zinc/19/37/85/573193785.db2.gz LSXDUYMKIOYFTF-UHFFFAOYSA-N 2 1 156.273 1.128 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)C2CC2)C1 252911489 573193824 /nfs/dbraw/zinc/19/38/24/573193824.db2.gz HNOZOOQDIWXRBE-GXSJLCMTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)C2CC2)C1 252911489 573193829 /nfs/dbraw/zinc/19/38/29/573193829.db2.gz HNOZOOQDIWXRBE-GXSJLCMTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C2(C)CCCC2)C1 82785590 573195265 /nfs/dbraw/zinc/19/52/65/573195265.db2.gz ODSMUUURUZXKIU-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H]([NH3+])CC1(C)C 259365917 573195040 /nfs/dbraw/zinc/19/50/40/573195040.db2.gz KNNKUAOVRHXJKR-ZJUUUORDSA-N 2 1 184.327 1.987 10 0 ADAEMP CC1([N@H+]2CC[C@H](C[NH3+])C2)CCCC1 82785595 573195219 /nfs/dbraw/zinc/19/52/19/573195219.db2.gz SHGOUKJMDLDRFD-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])CC1(C)C 259365915 573196601 /nfs/dbraw/zinc/19/66/01/573196601.db2.gz KNNKUAOVRHXJKR-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP CC1(C)C[C@H](CC[NH3+])CC[N@H+]1C1CC1 259365902 573196621 /nfs/dbraw/zinc/19/66/21/573196621.db2.gz KNFZNDNDHCTVKU-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1nc2c([nH]1)[C@@H]1CC[NH2+][C@H](C2)C1 115502076 573196887 /nfs/dbraw/zinc/19/68/87/573196887.db2.gz DLNFPFMCOVGHSY-SFYZADRCSA-N 2 1 177.251 1.110 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1C[C@H]2CCCCC[C@@H]21 715133223 573196889 /nfs/dbraw/zinc/19/68/89/573196889.db2.gz XFTZEKLONAWLTA-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH]c2c([nH+]1)[C@@H]1CC[NH2+][C@H](C2)C1 115502076 573196893 /nfs/dbraw/zinc/19/68/93/573196893.db2.gz DLNFPFMCOVGHSY-SFYZADRCSA-N 2 1 177.251 1.110 10 0 ADAEMP CC(C)CC[NH2+]CC1([NH3+])CC1 258580683 573197673 /nfs/dbraw/zinc/19/76/73/573197673.db2.gz FBYVDLMBXVPMIT-UHFFFAOYSA-N 2 1 156.273 1.113 10 0 ADAEMP CNc1cc([C@@H]2CC[NH2+]C2)cc[nH+]1 238310090 573197295 /nfs/dbraw/zinc/19/72/95/573197295.db2.gz RBFFGSJOUJZXCR-SECBINFHSA-N 2 1 177.251 1.200 10 0 ADAEMP CNc1cc([C@@H]2CCC[NH2+]C2)cc[nH+]1 238310058 573197354 /nfs/dbraw/zinc/19/73/54/573197354.db2.gz DYJNYPXHYKNJRM-SNVBAGLBSA-N 2 1 191.278 1.590 10 0 ADAEMP CC1(C)C[C@@H](CC[NH3+])CC[N@H+]1C1CC1 259365901 573197608 /nfs/dbraw/zinc/19/76/08/573197608.db2.gz KNFZNDNDHCTVKU-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1C[C@@H]2CCCCC[C@@H]21 715133224 573197638 /nfs/dbraw/zinc/19/76/38/573197638.db2.gz XFTZEKLONAWLTA-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CNc1cc([C@H]2CC[NH2+]C2)cc[nH+]1 238310367 573198317 /nfs/dbraw/zinc/19/83/17/573198317.db2.gz RBFFGSJOUJZXCR-VIFPVBQESA-N 2 1 177.251 1.200 10 0 ADAEMP C[N@H+]1CCc2cccc(C[NH3+])c2C1 82789786 573198459 /nfs/dbraw/zinc/19/84/59/573198459.db2.gz XCEIOXMAMYNUGM-UHFFFAOYSA-N 2 1 176.263 1.133 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1C[C@H]2CCCCC[C@H]21 715133222 573198637 /nfs/dbraw/zinc/19/86/37/573198637.db2.gz XFTZEKLONAWLTA-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801260 573201939 /nfs/dbraw/zinc/20/19/39/573201939.db2.gz VBMRHZFSFYBHCV-BDAKNGLRSA-N 2 1 158.289 1.454 10 0 ADAEMP C1CC[N@H+]2C[C@H]3[NH2+]CCC[C@H]3[C@@H]2C1 257746887 573201246 /nfs/dbraw/zinc/20/12/46/573201246.db2.gz YZKYHFOTARPRHN-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)C[C@@H](C)[NH3+])c1C 82803859 573201992 /nfs/dbraw/zinc/20/19/92/573201992.db2.gz KOSLCFNTLNRYBJ-SFYZADRCSA-N 2 1 181.283 1.798 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259369477 573201343 /nfs/dbraw/zinc/20/13/43/573201343.db2.gz VDBDQFQTAWJLCC-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C1CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3[C@H]2C1 257746921 573201368 /nfs/dbraw/zinc/20/13/68/573201368.db2.gz ZDFREVRXBYZMMR-AXFHLTTASA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3[C@H]2C1 257746921 573201373 /nfs/dbraw/zinc/20/13/73/573201373.db2.gz ZDFREVRXBYZMMR-AXFHLTTASA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[N@H+](C2(C)CCCC2)CC[C@@H]1[NH3+] 82802555 573201491 /nfs/dbraw/zinc/20/14/91/573201491.db2.gz SWFJFZUOLVGXDQ-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)[NH3+] 259371555 573201553 /nfs/dbraw/zinc/20/15/53/573201553.db2.gz KOYBAKLEWPCSFG-QMMMGPOBSA-N 2 1 167.256 1.013 10 0 ADAEMP C1CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3[C@@H]2C1 257746923 573202005 /nfs/dbraw/zinc/20/20/05/573202005.db2.gz ZDFREVRXBYZMMR-GARJFASQSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3[C@@H]2C1 257746923 573202009 /nfs/dbraw/zinc/20/20/09/573202009.db2.gz ZDFREVRXBYZMMR-GARJFASQSA-N 2 1 180.295 1.223 10 0 ADAEMP Cc1[nH+]cn([C@H](C)C[C@H](C)[NH3+])c1C 82803865 573201773 /nfs/dbraw/zinc/20/17/73/573201773.db2.gz KOSLCFNTLNRYBJ-JGVFFNPUSA-N 2 1 181.283 1.798 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@H+]1CCCC1(C)C 82802367 573202217 /nfs/dbraw/zinc/20/22/17/573202217.db2.gz FGIGMZYYARYYMT-NXEZZACHSA-N 2 1 184.327 1.987 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)C[C@@H](C)[NH3+] 82803585 573203644 /nfs/dbraw/zinc/20/36/44/573203644.db2.gz GFIRVSZXPIXKDN-SFYZADRCSA-N 2 1 167.256 1.490 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)C1CC1 82801176 573203952 /nfs/dbraw/zinc/20/39/52/573203952.db2.gz VXYVRHVCXSDFKL-YUMQZZPRSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)C1CC1 82801177 573204136 /nfs/dbraw/zinc/20/41/36/573204136.db2.gz VXYVRHVCXSDFKL-SFYZADRCSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)c1[nH+]ccn1C 82807577 573204277 /nfs/dbraw/zinc/20/42/77/573204277.db2.gz DTHKNFARIUUBDB-YUMQZZPRSA-N 2 1 167.256 1.261 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CC1 82801174 573204361 /nfs/dbraw/zinc/20/43/61/573204361.db2.gz VXYVRHVCXSDFKL-JGVFFNPUSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)[N@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82802690 573204498 /nfs/dbraw/zinc/20/44/98/573204498.db2.gz MQGOGWOXMQIBSF-BDAKNGLRSA-N 2 1 158.289 1.452 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@H](CC[NH3+])C1 259369478 573204514 /nfs/dbraw/zinc/20/45/14/573204514.db2.gz VDBDQFQTAWJLCC-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)C[C@@H](C)[NH3+] 82803586 573206221 /nfs/dbraw/zinc/20/62/21/573206221.db2.gz GFIRVSZXPIXKDN-HTQZYQBOSA-N 2 1 167.256 1.490 10 0 ADAEMP C[C@H]([NH3+])[C@@H](F)[C@H]1CCC[N@@H+](C)C1 257965457 573206330 /nfs/dbraw/zinc/20/63/30/573206330.db2.gz XXDSGZYXWRZATB-XHNCKOQMSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]([NH3+])[C@@H](F)[C@@H]1CCC[N@@H+](C)C1 257965455 573206506 /nfs/dbraw/zinc/20/65/06/573206506.db2.gz XXDSGZYXWRZATB-DJLDLDEBSA-N 2 1 174.263 1.014 10 0 ADAEMP CC(C)CC[N@@H+](C1CC1)C1CC([NH3+])C1 132087305 573206594 /nfs/dbraw/zinc/20/65/94/573206594.db2.gz FRNOSUYCBWTSDT-UHFFFAOYSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+]C[C@H]1CC1(F)F 717274949 573207809 /nfs/dbraw/zinc/20/78/09/573207809.db2.gz ABBZAGRYQNGABF-SSDOTTSWSA-N 2 1 192.253 1.229 10 0 ADAEMP C[C@H]([NH3+])[C@H](F)[C@H]1CCC[N@@H+](C)C1 257965454 573206674 /nfs/dbraw/zinc/20/66/74/573206674.db2.gz XXDSGZYXWRZATB-CIUDSAMLSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@@H+]1[C@H](C)[C@@H](C)N 224681387 573206696 /nfs/dbraw/zinc/20/66/96/573206696.db2.gz XIZDBLYEEWUSRJ-CHWFTXMASA-N 2 1 184.327 1.843 10 0 ADAEMP CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238313177 573207848 /nfs/dbraw/zinc/20/78/48/573207848.db2.gz PMDGHGBMCAXGOL-YFKTTZPYSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]([NH3+])[C@H](F)[C@@H]1CCC[N@@H+](C)C1 257965459 573207002 /nfs/dbraw/zinc/20/70/02/573207002.db2.gz XXDSGZYXWRZATB-YIZRAAEISA-N 2 1 174.263 1.014 10 0 ADAEMP CC[C@H]1C[NH2+]CC[N@H+]2CCC[C@@H]12 238313243 573207136 /nfs/dbraw/zinc/20/71/36/573207136.db2.gz DBRLBXUQHQTYOK-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)c1ccc[nH+]c1N 82808612 573207504 /nfs/dbraw/zinc/20/75/04/573207504.db2.gz KDNSNCSRMYRPCS-HTQZYQBOSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@@H]([NH3+])CC(C)(C)c1[nH+]ccn1C 82816281 573207629 /nfs/dbraw/zinc/20/76/29/573207629.db2.gz NNVCDQUAWBTCME-MRVPVSSYSA-N 2 1 181.283 1.435 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)c1ccc[nH+]c1N 82808613 573209629 /nfs/dbraw/zinc/20/96/29/573209629.db2.gz KDNSNCSRMYRPCS-YUMQZZPRSA-N 2 1 179.267 1.505 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@@]2(C)[NH2+]CCO2)C1 258252354 573209643 /nfs/dbraw/zinc/20/96/43/573209643.db2.gz AQBINTFXVVNOKU-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP C[NH2+]C(C)(C)C[NH2+]C[C@@H]1CC1(F)F 717274950 573210833 /nfs/dbraw/zinc/21/08/33/573210833.db2.gz ABBZAGRYQNGABF-ZETCQYMHSA-N 2 1 192.253 1.229 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@]2(C)[NH2+]CCO2)C1 258252357 573210330 /nfs/dbraw/zinc/21/03/30/573210330.db2.gz AQBINTFXVVNOKU-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H](C[NH3+])CC1(C)C 259376667 573210578 /nfs/dbraw/zinc/21/05/78/573210578.db2.gz LAUCCYHBLSKGMH-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259376670 573210946 /nfs/dbraw/zinc/21/09/46/573210946.db2.gz LAUCCYHBLSKGMH-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])c1ccc[nH+]c1N 82808610 573210916 /nfs/dbraw/zinc/21/09/16/573210916.db2.gz KDNSNCSRMYRPCS-JGVFFNPUSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[NH2+][C@H]2CC23CC3)C1 715679838 573213607 /nfs/dbraw/zinc/21/36/07/573213607.db2.gz BEAPRHOCHKLOEW-VWYCJHECSA-N 2 1 194.322 1.517 10 0 ADAEMP C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)[NH3+] 259377830 573214174 /nfs/dbraw/zinc/21/41/74/573214174.db2.gz KWUSGPPWMHLELB-SNVBAGLBSA-N 2 1 196.269 1.824 10 0 ADAEMP C[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@@H]1[NH+](C)C 82829590 573214737 /nfs/dbraw/zinc/21/47/37/573214737.db2.gz ZTQPLIIXEJOCEI-YTWAJWBKSA-N 2 1 184.327 1.571 10 0 ADAEMP C[C@@H]([NH3+])CC(C)(C)c1ccc[nH+]c1N 82816503 573215662 /nfs/dbraw/zinc/21/56/62/573215662.db2.gz LYMIBCUVKHRRLN-MRVPVSSYSA-N 2 1 193.294 1.679 10 0 ADAEMP C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)[NH3+] 259377828 573215713 /nfs/dbraw/zinc/21/57/13/573215713.db2.gz KWUSGPPWMHLELB-JTQLQIEISA-N 2 1 196.269 1.824 10 0 ADAEMP CCC[N@@H+](C)C[C@H](C[NH2+]C)C(C)C 259036747 573215722 /nfs/dbraw/zinc/21/57/22/573215722.db2.gz QXMKOPFDRYUNGC-NSHDSACASA-N 2 1 186.343 1.820 10 0 ADAEMP C[N@H+]1CC[C@@H](CCC[NH3+])[C@@H](F)C1 257973249 573216142 /nfs/dbraw/zinc/21/61/42/573216142.db2.gz YWOFUPKIRGZMDD-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[N@@H+](C)[C@H]1[C@@H](N)C[C@@H](C)C[C@H]1C 82829649 573216288 /nfs/dbraw/zinc/21/62/88/573216288.db2.gz JZSMPFMKVYQYFF-ZRUFSTJUSA-N 2 1 184.327 1.700 10 0 ADAEMP CCN(C)[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82829649 573216293 /nfs/dbraw/zinc/21/62/93/573216293.db2.gz JZSMPFMKVYQYFF-ZRUFSTJUSA-N 2 1 184.327 1.700 10 0 ADAEMP C[N@H+]1CCC[C@H](C(C)(C)CC[NH3+])C1 259378485 573216318 /nfs/dbraw/zinc/21/63/18/573216318.db2.gz VQUQODJTOVOSDN-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1[NH+](C)C 82829592 573216454 /nfs/dbraw/zinc/21/64/54/573216454.db2.gz ZTQPLIIXEJOCEI-DBIOUOCHSA-N 2 1 184.327 1.571 10 0 ADAEMP C[N@H+]1CC[C@H](CCC[NH3+])[C@@H](F)C1 257973255 573217514 /nfs/dbraw/zinc/21/75/14/573217514.db2.gz YWOFUPKIRGZMDD-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP CC(C)C[C@H]1CC[N@H+](C)[C@H]1C[NH3+] 258588687 573218682 /nfs/dbraw/zinc/21/86/82/573218682.db2.gz SXJRKQVGGWSTIK-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](C)[C@H]1C[NH3+] 258588687 573218690 /nfs/dbraw/zinc/21/86/90/573218690.db2.gz SXJRKQVGGWSTIK-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH+](C)[C@@H](c1ccc[nH]1)C1(C[NH3+])CC1 259375830 573218572 /nfs/dbraw/zinc/21/85/72/573218572.db2.gz GLGOJXBDGJWKBO-JTQLQIEISA-N 2 1 193.294 1.356 10 0 ADAEMP CC[N@@H+](C)C[C@H]1[C@@H]([NH3+])C[C@@H](C)C[C@H]1C 82832510 573218600 /nfs/dbraw/zinc/21/86/00/573218600.db2.gz WDHHAMJANANJQI-QCNOEVLYSA-N 2 1 198.354 1.948 10 0 ADAEMP C[NH2+]C1(C[NH3+])C[C@@H](C)C[C@@H](C)C1 82830914 573219420 /nfs/dbraw/zinc/21/94/20/573219420.db2.gz OVVFQXAPWMLMCL-ULKQDVFKSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+]C1(C[NH3+])C[C@@H](C)C[C@H](C)C1 82830915 573219589 /nfs/dbraw/zinc/21/95/89/573219589.db2.gz OVVFQXAPWMLMCL-IUCAKERBSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(=[NH2+])N1CC[C@H]2CC[C@@H](C1)[N@H+]2C 85976011 573219863 /nfs/dbraw/zinc/21/98/63/573219863.db2.gz MIOMDEBIUAWSEE-ZJUUUORDSA-N 2 1 181.283 1.152 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](CC[NH+]2CCCCC2)O1 258592782 573220177 /nfs/dbraw/zinc/22/01/77/573220177.db2.gz QKFYABAERNQMPP-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP C[NH2+][C@H](C[NH2+]C1CC1)C1CCC1 259380723 573220182 /nfs/dbraw/zinc/22/01/82/573220182.db2.gz LXHLYERRUSEPTP-SNVBAGLBSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@H]1C[NH2+][C@H](CC[NH+]2CCCCC2)O1 258592784 573220314 /nfs/dbraw/zinc/22/03/14/573220314.db2.gz QKFYABAERNQMPP-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1CO[C@](C)(CC[NH+]2CCCC2)[NH2+]1 258592715 573220365 /nfs/dbraw/zinc/22/03/65/573220365.db2.gz QJHWTFCMDWSRLL-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1C[C@@H](C)CC(C[NH3+])([NH2+]C2CC2)C1 82830932 573221132 /nfs/dbraw/zinc/22/11/32/573221132.db2.gz BHFDLMVEYWXBDJ-NXEZZACHSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1(C)C 259384056 573221328 /nfs/dbraw/zinc/22/13/28/573221328.db2.gz LITWAAGLRYWAOQ-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]CC(C)(C)CC 393619762 573221753 /nfs/dbraw/zinc/22/17/53/573221753.db2.gz POCOFGPWIOAKBP-SECBINFHSA-N 2 1 172.316 1.750 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C)C1(C)C 259384250 573221791 /nfs/dbraw/zinc/22/17/91/573221791.db2.gz LKFGSTUKXRFBFH-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1CO[C@@](C)(CC[NH+]2CCCC2)[NH2+]1 258592720 573221898 /nfs/dbraw/zinc/22/18/98/573221898.db2.gz QJHWTFCMDWSRLL-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[NH2+]C1(C[NH3+])C[C@H](C)C[C@@H](C)C1 82830916 573222080 /nfs/dbraw/zinc/22/20/80/573222080.db2.gz OVVFQXAPWMLMCL-RKDXNWHRSA-N 2 1 170.300 1.359 10 0 ADAEMP CCC(=[NH2+])N1CC[C@H]2CC[C@@H](C1)[N@H+]2C 85976003 573222129 /nfs/dbraw/zinc/22/21/29/573222129.db2.gz OWDRNDSYXMSFSG-ZJUUUORDSA-N 2 1 195.310 1.542 10 0 ADAEMP C[C@H]1C[C@H](C)CC(C[NH3+])([NH2+]C2CC2)C1 82830931 573222151 /nfs/dbraw/zinc/22/21/51/573222151.db2.gz BHFDLMVEYWXBDJ-UWVGGRQHSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1CO[C@@](C)(CC[NH+]2CCCC2)[NH2+]1 258592718 573222294 /nfs/dbraw/zinc/22/22/94/573222294.db2.gz QJHWTFCMDWSRLL-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C(C)(C)C 258595268 573222368 /nfs/dbraw/zinc/22/23/68/573222368.db2.gz UJIQCZQPCMJGGC-SSDOTTSWSA-N 2 1 144.262 1.112 10 0 ADAEMP C[NH2+][C@H](C(C)C)[NH+]1CCCCC1 238320813 573223446 /nfs/dbraw/zinc/22/34/46/573223446.db2.gz RIACAIHGYAXKPV-JTQLQIEISA-N 2 1 170.300 1.674 10 0 ADAEMP CC[C@H](C)[NH2+][C@]1(C[NH3+])CCC[C@H]2C[C@H]21 308520808 573223505 /nfs/dbraw/zinc/22/35/05/573223505.db2.gz HOEQDMSLSPJGAT-YFKTTZPYSA-N 2 1 196.338 1.892 10 0 ADAEMP CNC(C)(C)C[NH+]1C[C@@H](C)[C@H](C)C1 86015218 573223622 /nfs/dbraw/zinc/22/36/22/573223622.db2.gz RWUVRZVEOUGTJA-NXEZZACHSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1C 86012200 573223649 /nfs/dbraw/zinc/22/36/49/573223649.db2.gz AQOFNWZHWADTLC-USZNOCQGSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[N@H+](CCC(C)(C)[NH3+])C[C@@H]1C 86015604 573223664 /nfs/dbraw/zinc/22/36/64/573223664.db2.gz RBRBKDYUEGWOSG-AOOOYVTPSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H](C)CC(N)=[NH2+])C[C@@H]1C 86010198 573223748 /nfs/dbraw/zinc/22/37/48/573223748.db2.gz ACLSMAFNOXSZBT-YIZRAAEISA-N 2 1 183.299 1.289 10 0 ADAEMP C[NH2+][C@@H](C[NH2+]C1CC1)C1CCC1 259380721 573224435 /nfs/dbraw/zinc/22/44/35/573224435.db2.gz LXHLYERRUSEPTP-JTQLQIEISA-N 2 1 168.284 1.127 10 0 ADAEMP C[NH+](C)[C@@H](c1ccc[nH]1)[C@H]1CC[NH2+]C1 259383375 573226652 /nfs/dbraw/zinc/22/66/52/573226652.db2.gz GSPPEAXTESAIKZ-GXSJLCMTSA-N 2 1 193.294 1.227 10 0 ADAEMP C[NH2+]C/C=C/[C@@H]1CCC[N@@H+](C)C1 259038259 573226285 /nfs/dbraw/zinc/22/62/85/573226285.db2.gz ABMKEQKJOUPCNG-RXNUUUNCSA-N 2 1 168.284 1.104 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H]1C 86010240 573226336 /nfs/dbraw/zinc/22/63/36/573226336.db2.gz JAAZRZBBNBLYRD-NNYUYHANSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@H]1C[C@@](C[NH3+])([NH2+]C2CC2)CC[C@H]1C 82837982 573226421 /nfs/dbraw/zinc/22/64/21/573226421.db2.gz RJJPMOUHYHIDDB-SCVCMEIPSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1C 86010239 573226423 /nfs/dbraw/zinc/22/64/23/573226423.db2.gz JAAZRZBBNBLYRD-WISYIIOYSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@H]([C@H]1CCC[N@@H+](C)C1)[NH+](C)C 259037926 573227257 /nfs/dbraw/zinc/22/72/57/573227257.db2.gz AQDGTXIJBXRNPW-ZJUUUORDSA-N 2 1 170.300 1.278 10 0 ADAEMP C[NH+](C)[C@H](c1ccc[nH]1)[C@@H]1CC[NH2+]C1 259383377 573228269 /nfs/dbraw/zinc/22/82/69/573228269.db2.gz GSPPEAXTESAIKZ-KOLCDFICSA-N 2 1 193.294 1.227 10 0 ADAEMP C[C@@H]1C[N@H+](C/C=C/C[NH3+])C[C@@H]1C 86010142 573228275 /nfs/dbraw/zinc/22/82/75/573228275.db2.gz BRYJNPDEMOQPTB-LDYOUVJNSA-N 2 1 168.284 1.089 10 0 ADAEMP CCCC[NH2+]CC[NH+]1C[C@H](C)[C@@H](C)C1 86012931 573228355 /nfs/dbraw/zinc/22/83/55/573228355.db2.gz NKYQESIXCQREKH-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]([C@@H]1CCC[N@@H+](C)C1)[NH+](C)C 259037923 573228335 /nfs/dbraw/zinc/22/83/35/573228335.db2.gz AQDGTXIJBXRNPW-NXEZZACHSA-N 2 1 170.300 1.278 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@H]([NH3+])C2CC2)C[C@@H]1C 86009312 573228401 /nfs/dbraw/zinc/22/84/01/573228401.db2.gz UTNWNZMTUIYXGS-NGZCFLSTSA-N 2 1 182.311 1.312 10 0 ADAEMP CC[N@H+]1CC[NH2+]CC2(CCC2)C1 259386293 573230968 /nfs/dbraw/zinc/23/09/68/573230968.db2.gz WKDMWJUNFPICHF-UHFFFAOYSA-N 2 1 168.284 1.082 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]([C@@H]2[NH2+]CCCO2)C1 258239940 573231102 /nfs/dbraw/zinc/23/11/02/573231102.db2.gz ZRCZFKFNXWVAGE-WDEREUQCSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H]2[NH2+]CCCO2)C1 258239940 573231107 /nfs/dbraw/zinc/23/11/07/573231107.db2.gz ZRCZFKFNXWVAGE-WDEREUQCSA-N 2 1 198.310 1.053 10 0 ADAEMP C[NH+](C)[C@H](c1ccc[nH]1)[C@H]1CC[NH2+]C1 259383380 573231122 /nfs/dbraw/zinc/23/11/22/573231122.db2.gz GSPPEAXTESAIKZ-ONGXEEELSA-N 2 1 193.294 1.227 10 0 ADAEMP C[NH+](C)[C@@H](c1ccc[nH]1)[C@@H]1CC[NH2+]C1 259383379 573232117 /nfs/dbraw/zinc/23/21/17/573232117.db2.gz GSPPEAXTESAIKZ-MWLCHTKSSA-N 2 1 193.294 1.227 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C[C@@H]2C)C[C@@H]1C 86015662 573232342 /nfs/dbraw/zinc/23/23/42/573232342.db2.gz KSJSAISZEJEDNR-YFKTTZPYSA-N 2 1 196.338 1.430 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[NH+]1CCCCC1 235546387 573232354 /nfs/dbraw/zinc/23/23/54/573232354.db2.gz GENZBDCNVOWVDV-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]([C@H]2[NH2+]CCCO2)C1 258239926 573232598 /nfs/dbraw/zinc/23/25/98/573232598.db2.gz ZRCZFKFNXWVAGE-QWRGUYRKSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H]2[NH2+]CCCO2)C1 258239926 573232605 /nfs/dbraw/zinc/23/26/05/573232605.db2.gz ZRCZFKFNXWVAGE-QWRGUYRKSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@H](CNC)[N@@H+]1CC[C@H](C)[C@H](C)C1 132151888 573232811 /nfs/dbraw/zinc/23/28/11/573232811.db2.gz OKNUBJNHDHNKJR-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](CNC)[N@H+]1CC[C@H](C)[C@H](C)C1 132151888 573232817 /nfs/dbraw/zinc/23/28/17/573232817.db2.gz OKNUBJNHDHNKJR-QJPTWQEYSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1CC2CCC1CC2 308524732 573232858 /nfs/dbraw/zinc/23/28/58/573232858.db2.gz OUGWSYWKGSKSSD-VOMCLLRMSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+]1CC2CCC1CC2 308524732 573232865 /nfs/dbraw/zinc/23/28/65/573232865.db2.gz OUGWSYWKGSKSSD-VOMCLLRMSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258239901 573233298 /nfs/dbraw/zinc/23/32/98/573233298.db2.gz ZRCZFKFNXWVAGE-GHMZBOCLSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258239901 573233304 /nfs/dbraw/zinc/23/33/04/573233304.db2.gz ZRCZFKFNXWVAGE-GHMZBOCLSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 238323770 573233610 /nfs/dbraw/zinc/23/36/10/573233610.db2.gz UTVBRRSXCIWGTN-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@H]2CCCC[C@H](C1)[NH2+]C2 238323234 573233750 /nfs/dbraw/zinc/23/37/50/573233750.db2.gz AOFOKZBXMDCXEF-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)O1 258243227 573234821 /nfs/dbraw/zinc/23/48/21/573234821.db2.gz AHHCNMXEIHHHHE-AXFHLTTASA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)O1 258243227 573234825 /nfs/dbraw/zinc/23/48/25/573234825.db2.gz AHHCNMXEIHHHHE-AXFHLTTASA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CC=C(C[C@H](C)[NH3+])CC1 258242643 573234909 /nfs/dbraw/zinc/23/49/09/573234909.db2.gz XFLALLPEIKLRRD-JTQLQIEISA-N 2 1 182.311 1.764 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC2CC2)C1 238324029 573238600 /nfs/dbraw/zinc/23/86/00/573238600.db2.gz ZVNRMMIZZCLYPS-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP Cc1[nH+]c([C@H](C)CC[NH3+])cn1C 82853204 573238046 /nfs/dbraw/zinc/23/80/46/573238046.db2.gz GTYGWFQPGDQAIK-SSDOTTSWSA-N 2 1 167.256 1.181 10 0 ADAEMP C[C@]1(CC[NH+]2CCCCC2)[NH2+]CCO1 258603776 573238051 /nfs/dbraw/zinc/23/80/51/573238051.db2.gz QSCGKKCCMLUKMB-NSHDSACASA-N 2 1 198.310 1.198 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 82855283 573238086 /nfs/dbraw/zinc/23/80/86/573238086.db2.gz SZLWIJJQVIDWIL-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])[C@@H](c2ccccc2)C1 238324127 573238128 /nfs/dbraw/zinc/23/81/28/573238128.db2.gz SAZLRTLSQAZLSR-VXGBXAGGSA-N 2 1 190.290 1.433 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@H](C)C[C@@H]1C 82860062 573238616 /nfs/dbraw/zinc/23/86/16/573238616.db2.gz JCMQALLHLQSCQV-DCAQKATOSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H]1CC[C@@](C[NH3+])([NH2+]C2CC2)[C@H](C)C1 82860098 573238564 /nfs/dbraw/zinc/23/85/64/573238564.db2.gz ZWSZYJQZVMQQDP-FOGDFJRCSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@@H](C)[C@H]1C 82860054 573240011 /nfs/dbraw/zinc/24/00/11/573240011.db2.gz GLQXZEKURZFLGO-BBBLOLIVSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CC2CCC1CC2 308521320 573240445 /nfs/dbraw/zinc/24/04/45/573240445.db2.gz SRWKWLCAXBCMLW-WNYYMSAVSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@@]1(CC[NH+]2CCCCC2)[NH2+]CCO1 258603767 573240280 /nfs/dbraw/zinc/24/02/80/573240280.db2.gz QSCGKKCCMLUKMB-LLVKDONJSA-N 2 1 198.310 1.198 10 0 ADAEMP C[C@@H]1CCC[C@](C[NH3+])([NH2+]C2CC2)[C@@H]1C 82860104 573241099 /nfs/dbraw/zinc/24/10/99/573241099.db2.gz MVKMGIHWANYETR-CKYFFXLPSA-N 2 1 196.338 1.892 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@H](C)C[C@H]1C 82860051 573241140 /nfs/dbraw/zinc/24/11/40/573241140.db2.gz FHNIRSJYOOAGEK-AEJSXWLSSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 82860058 573241320 /nfs/dbraw/zinc/24/13/20/573241320.db2.gz VLUHGNJOZPIDRF-VWYCJHECSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@H](C)[C@@H]1C 82860066 573241350 /nfs/dbraw/zinc/24/13/50/573241350.db2.gz IZYCGWNFNAXHHG-DCAQKATOSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)C1CC([NH2+]C[C@@H]2CC[NH2+]2)C1 714659703 573241901 /nfs/dbraw/zinc/24/19/01/573241901.db2.gz MAXXQOXZUIEPEW-YVNMAJEFSA-N 2 1 182.311 1.373 10 0 ADAEMP CCC(CC)C[N@@H+](C)CCC(N)=[NH2+] 129156494 573241939 /nfs/dbraw/zinc/24/19/39/573241939.db2.gz JIUZSOJTLAPUND-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP C[N@H+](Cc1cc[nH]c1)CC1CC([NH3+])C1 259044695 573242530 /nfs/dbraw/zinc/24/25/30/573242530.db2.gz PVMAFIHHVKGZGI-UHFFFAOYSA-N 2 1 193.294 1.184 10 0 ADAEMP CC[N@@H+](CCC(C)=O)C1CC[NH2+]CC1 50157710 573244921 /nfs/dbraw/zinc/24/49/21/573244921.db2.gz NRBRTQJWLOHCJH-UHFFFAOYSA-N 2 1 198.310 1.039 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CC1(C)CCC1 308320957 573245361 /nfs/dbraw/zinc/24/53/61/573245361.db2.gz BBHFCRAPVLBLTH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)CC1(C)CCC1 308320200 573245414 /nfs/dbraw/zinc/24/54/14/573245414.db2.gz APLTURMCMGJDEF-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP Cc1[nH+]cn(C[C@@H](C)[NH2+]C2CC2)c1C 129166068 573245095 /nfs/dbraw/zinc/24/50/95/573245095.db2.gz LUHWOYTYBMJZDE-MRVPVSSYSA-N 2 1 193.294 1.640 10 0 ADAEMP Cc1[nH+]cn(C[C@H](C)[NH2+]C2CC2)c1C 129166309 573246149 /nfs/dbraw/zinc/24/61/49/573246149.db2.gz LUHWOYTYBMJZDE-QMMMGPOBSA-N 2 1 193.294 1.640 10 0 ADAEMP C[C@@H]1C[C@]1(C[NH3+])[C@@H]1CCC[N@@H+](C)C1 259051713 573249145 /nfs/dbraw/zinc/24/91/45/573249145.db2.gz VGVXDVXXRGAQOD-GMTAPVOTSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)(C)[C@@]1(C[NH3+])CCCC[NH2+]1 258609599 573248298 /nfs/dbraw/zinc/24/82/98/573248298.db2.gz ILHXUEGOUBWAFZ-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC2(C[NH3+])CC2)C1 259049947 573248348 /nfs/dbraw/zinc/24/83/48/573248348.db2.gz DRLONDTUNGLTGD-JTQLQIEISA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CO[C@](C)(C[C@H]2CC[N@@H+](C)C2)[NH2+]1 258247902 573248567 /nfs/dbraw/zinc/24/85/67/573248567.db2.gz ALBUTNQTTHJOMH-GMTAPVOTSA-N 2 1 198.310 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259052134 573251407 /nfs/dbraw/zinc/25/14/07/573251407.db2.gz FCLRLTIJKSPDQC-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP C[N@H+]1CCC[C@H](CC2(C[NH3+])CC2)C1 259049948 573251438 /nfs/dbraw/zinc/25/14/38/573251438.db2.gz DRLONDTUNGLTGD-SNVBAGLBSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CC2)C[NH2+]1 716644918 573252307 /nfs/dbraw/zinc/25/23/07/573252307.db2.gz LKZAKAURGRZCOA-SASUGWTJSA-N 2 1 194.322 1.515 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+](CC)[C@@H](C)COC 42743329 573252401 /nfs/dbraw/zinc/25/24/01/573252401.db2.gz WXAPJHZUDRNLBQ-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+](CC)[C@@H](C)COC 42743329 573252411 /nfs/dbraw/zinc/25/24/11/573252411.db2.gz WXAPJHZUDRNLBQ-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+][C@H](c1ccc(C)cc1)C(C)(C)[NH3+] 259391959 573252559 /nfs/dbraw/zinc/25/25/59/573252559.db2.gz LKRNIONWKHPFRK-LLVKDONJSA-N 2 1 192.306 1.993 10 0 ADAEMP CCCC[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749180 573252561 /nfs/dbraw/zinc/25/25/61/573252561.db2.gz FMEFXZOUTWMZRX-FGWVZKOKSA-N 2 1 182.311 1.741 10 0 ADAEMP CC[C@H]1NCC[C@@H]2CCCC[N@H+]21 238317691 573252575 /nfs/dbraw/zinc/25/25/75/573252575.db2.gz GBUZYSJAMHHKGI-UWVGGRQHSA-N 2 1 168.284 1.570 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2C2CC2)C[NH2+]1 716644916 573252600 /nfs/dbraw/zinc/25/26/00/573252600.db2.gz LKZAKAURGRZCOA-QTKMDUPCSA-N 2 1 194.322 1.515 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](/C=C\CC[NH3+])C1 258250907 573252791 /nfs/dbraw/zinc/25/27/91/573252791.db2.gz QQESJQDGNCCOLM-USEMIUTHSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40748989 573253171 /nfs/dbraw/zinc/25/31/71/573253171.db2.gz MQAWKHSWICVAAK-WAAKLRNESA-N 2 1 196.338 1.985 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC2CC2)C1 308529744 573253221 /nfs/dbraw/zinc/25/32/21/573253221.db2.gz JWJOJMHLTPJQPX-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40748991 573253251 /nfs/dbraw/zinc/25/32/51/573253251.db2.gz MQAWKHSWICVAAK-YEJSDXFRSA-N 2 1 196.338 1.985 10 0 ADAEMP Cc1ccsc1[C@H]([NH3+])C1C[NH2+]C1 259392161 573253260 /nfs/dbraw/zinc/25/32/60/573253260.db2.gz NROKJJTVWOLDNN-MRVPVSSYSA-N 2 1 182.292 1.276 10 0 ADAEMP CC[N@H+](CC(C)(C)[NH3+])[C@H](C)COC 42781732 573253586 /nfs/dbraw/zinc/25/35/86/573253586.db2.gz NOHKBYPRHHGKJX-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](CC(C)(C)[NH3+])[C@H](C)COC 42781732 573253590 /nfs/dbraw/zinc/25/35/90/573253590.db2.gz NOHKBYPRHHGKJX-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749415 573254248 /nfs/dbraw/zinc/25/42/48/573254248.db2.gz PMDGHGBMCAXGOL-YEJSDXFRSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)Cc1c[nH]c(CC[C@H](C)[NH3+])[nH+]1 259055142 573254392 /nfs/dbraw/zinc/25/43/92/573254392.db2.gz JEACDXJYHGUTDS-VIFPVBQESA-N 2 1 195.310 1.888 10 0 ADAEMP C[C@@H](C[NH3+])[C@@H](C)[N@@H+](C)CCC1CC1 393578606 573254443 /nfs/dbraw/zinc/25/44/43/573254443.db2.gz CKROVQDSWGVEOU-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC2CC2)C1 308529750 573254647 /nfs/dbraw/zinc/25/46/47/573254647.db2.gz JWJOJMHLTPJQPX-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([N@@H+](C)CCC(N)=[NH2+])C(C)(C)C 42767665 573254674 /nfs/dbraw/zinc/25/46/74/573254674.db2.gz USXCNLJGPYORHS-QMMMGPOBSA-N 2 1 185.315 1.679 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@@H+](C)CCC1CC1 393578601 573255323 /nfs/dbraw/zinc/25/53/23/573255323.db2.gz CKROVQDSWGVEOU-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C[NH3+])[C@H](C)[N@@H+](C)CCC1CC1 393578604 573254924 /nfs/dbraw/zinc/25/49/24/573254924.db2.gz CKROVQDSWGVEOU-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+](CC)[C@@H](C)COC 42781758 573255070 /nfs/dbraw/zinc/25/50/70/573255070.db2.gz WAINAQIOMGNUNA-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+](CC)[C@@H](C)COC 42781758 573255076 /nfs/dbraw/zinc/25/50/76/573255076.db2.gz WAINAQIOMGNUNA-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@H+]1CCC=C(CC[NH2+]C)C1 258248903 573255886 /nfs/dbraw/zinc/25/58/86/573255886.db2.gz XPWYBFMCMRQPRM-UHFFFAOYSA-N 2 1 168.284 1.248 10 0 ADAEMP CC[C@@H](C[NH3+])[N@H+](CC)[C@@H](C)COC 42743326 573255899 /nfs/dbraw/zinc/25/58/99/573255899.db2.gz WXAPJHZUDRNLBQ-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](C[NH3+])[N@@H+](CC)[C@@H](C)COC 42743326 573255903 /nfs/dbraw/zinc/25/59/03/573255903.db2.gz WXAPJHZUDRNLBQ-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H]([N@H+](C)C[C@@H](C)C(N)=[NH2+])C(C)(C)C 42767679 573255982 /nfs/dbraw/zinc/25/59/82/573255982.db2.gz JPNXJGZPWOOSTI-BDAKNGLRSA-N 2 1 199.342 1.925 10 0 ADAEMP CC[C@@H](C)C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749414 573256112 /nfs/dbraw/zinc/25/61/12/573256112.db2.gz PMDGHGBMCAXGOL-WAAKLRNESA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+](CC)[C@@H](C)COC 42781757 573256139 /nfs/dbraw/zinc/25/61/39/573256139.db2.gz WAINAQIOMGNUNA-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](CC)[C@@H](C)COC 42781757 573256143 /nfs/dbraw/zinc/25/61/43/573256143.db2.gz WAINAQIOMGNUNA-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@H+](CC(C)(C)[NH3+])[C@@H](C)COC 42781731 573256600 /nfs/dbraw/zinc/25/66/00/573256600.db2.gz NOHKBYPRHHGKJX-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](CC(C)(C)[NH3+])[C@@H](C)COC 42781731 573256606 /nfs/dbraw/zinc/25/66/06/573256606.db2.gz NOHKBYPRHHGKJX-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](CC[C@H]([NH3+])C(C)C)C1CC1 129208658 573257488 /nfs/dbraw/zinc/25/74/88/573257488.db2.gz ZHDJFFXIFSZFQP-NSHDSACASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1CC 387542861 573257555 /nfs/dbraw/zinc/25/75/55/573257555.db2.gz GSRUUEZLBCLFNS-KXUCPTDWSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H]([NH3+])CSC)C1 257980455 573256707 /nfs/dbraw/zinc/25/67/07/573256707.db2.gz CMFUOQDYZFHPPY-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]([NH3+])CSC)C1 257980458 573257441 /nfs/dbraw/zinc/25/74/41/573257441.db2.gz CMFUOQDYZFHPPY-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@@H]([NH3+])CSC)C1 257980452 573258645 /nfs/dbraw/zinc/25/86/45/573258645.db2.gz CMFUOQDYZFHPPY-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP Cc1cnc([C@H](C)[NH2+]CCC[NH3+])s1 125998757 573259514 /nfs/dbraw/zinc/25/95/14/573259514.db2.gz JWSZSDQQLQYXNC-QMMMGPOBSA-N 2 1 199.323 1.451 10 0 ADAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C1CC1 129209389 573259554 /nfs/dbraw/zinc/25/95/54/573259554.db2.gz JREXRCPQQULEJT-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1C[C@]2(CCC[NH2+]C2)CC12CC2 257983141 573260412 /nfs/dbraw/zinc/26/04/12/573260412.db2.gz ZXWSGWLYOBOAST-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H]2NC[C@@H](C)O2)C1 258613911 573260638 /nfs/dbraw/zinc/26/06/38/573260638.db2.gz QYLJIVAIQNKAIF-GMTAPVOTSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]([C@@H]2[NH2+]C[C@@H](C)O2)C1 258613911 573260644 /nfs/dbraw/zinc/26/06/44/573260644.db2.gz QYLJIVAIQNKAIF-GMTAPVOTSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H]2[NH2+]C[C@@H](C)O2)C1 258613911 573260649 /nfs/dbraw/zinc/26/06/49/573260649.db2.gz QYLJIVAIQNKAIF-GMTAPVOTSA-N 2 1 198.310 1.051 10 0 ADAEMP CC[N@@H+](CC[C@@H]([NH3+])C(C)C)C1CC1 129208871 573260816 /nfs/dbraw/zinc/26/08/16/573260816.db2.gz ZHDJFFXIFSZFQP-LLVKDONJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccco1 129221017 573260875 /nfs/dbraw/zinc/26/08/75/573260875.db2.gz GSCRXZVRYGEBMZ-LLVKDONJSA-N 2 1 196.294 1.743 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCCC[N@@H+]2C)O1 258614880 573260882 /nfs/dbraw/zinc/26/08/82/573260882.db2.gz RCEFUZVYPZSVEJ-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCCC[N@H+]2C)O1 258614880 573260888 /nfs/dbraw/zinc/26/08/88/573260888.db2.gz RCEFUZVYPZSVEJ-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@@H+]1C2CCCC1(C[NH3+])CCC2 238325814 573261619 /nfs/dbraw/zinc/26/16/19/573261619.db2.gz PHZYICNZJKTAOL-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1C2CCCC1(C[NH3+])CCC2 238325814 573261628 /nfs/dbraw/zinc/26/16/28/573261628.db2.gz PHZYICNZJKTAOL-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1C[C@@]2(CCC[NH2+]C2)CC12CC2 257983139 573261640 /nfs/dbraw/zinc/26/16/40/573261640.db2.gz ZXWSGWLYOBOAST-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP CC(C)[C@@H]([NH3+])CC[NH2+]Cc1ccco1 129221247 573261752 /nfs/dbraw/zinc/26/17/52/573261752.db2.gz GSCRXZVRYGEBMZ-NSHDSACASA-N 2 1 196.294 1.743 10 0 ADAEMP CCCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1 50889008 573263240 /nfs/dbraw/zinc/26/32/40/573263240.db2.gz JACBRPHDDOGFSF-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)C1 50889008 573263245 /nfs/dbraw/zinc/26/32/45/573263245.db2.gz JACBRPHDDOGFSF-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]C/C=C\C[C@H]1CC[N@H+](C(C)C)C1 258267024 573263613 /nfs/dbraw/zinc/26/36/13/573263613.db2.gz RQSUYRBSZGICIQ-RXNFCKPNSA-N 2 1 196.338 1.882 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@H]1C=C[C@@H]([NH3+])C1 86094628 573263820 /nfs/dbraw/zinc/26/38/20/573263820.db2.gz VPIKXNUCILOMRD-QJPTWQEYSA-N 2 1 194.322 1.764 10 0 ADAEMP COCC(C)(C)[N@@H+](C)[C@H](C)[C@@H](C)[NH3+] 308333670 573263937 /nfs/dbraw/zinc/26/39/37/573263937.db2.gz MIPMLYWRURNFSA-RKDXNWHRSA-N 2 1 188.315 1.079 10 0 ADAEMP COCC(C)(C)[N@@H+](C)[C@H](C)[C@H](C)[NH3+] 308333668 573263971 /nfs/dbraw/zinc/26/39/71/573263971.db2.gz MIPMLYWRURNFSA-DTWKUNHWSA-N 2 1 188.315 1.079 10 0 ADAEMP COCC(C)(C)[N@@H+](C)[C@@H](C)[C@@H](C)[NH3+] 308333667 573264014 /nfs/dbraw/zinc/26/40/14/573264014.db2.gz MIPMLYWRURNFSA-BDAKNGLRSA-N 2 1 188.315 1.079 10 0 ADAEMP COCC(C)(C)[N@@H+](C)[C@@H](C)[C@H](C)[NH3+] 308333669 573264073 /nfs/dbraw/zinc/26/40/73/573264073.db2.gz MIPMLYWRURNFSA-IUCAKERBSA-N 2 1 188.315 1.079 10 0 ADAEMP C[NH2+]C/C=C\C[C@@H]1CC[N@H+](C(C)C)C1 258267019 573264328 /nfs/dbraw/zinc/26/43/28/573264328.db2.gz RQSUYRBSZGICIQ-QMAVJUDZSA-N 2 1 196.338 1.882 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C/C=C\CC[NH3+] 258267110 573264542 /nfs/dbraw/zinc/26/45/42/573264542.db2.gz RRJYWFOPVANSNU-BYCRGOAPSA-N 2 1 182.311 1.766 10 0 ADAEMP C[N@@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)CC(C)(C)C 86095413 573264567 /nfs/dbraw/zinc/26/45/67/573264567.db2.gz RJFWAJNWRFFSJU-GHMZBOCLSA-N 2 1 196.338 1.868 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CCC[NH2+][C@@H]1C 308340848 573264771 /nfs/dbraw/zinc/26/47/71/573264771.db2.gz QWTUWXNYKKRKQQ-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@@H]2CCCC[NH2+]2)C1 259060600 573264939 /nfs/dbraw/zinc/26/49/39/573264939.db2.gz FYYFSEWQUJMKSF-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@H]2CCCC[NH2+]2)C1 259060602 573264953 /nfs/dbraw/zinc/26/49/53/573264953.db2.gz FYYFSEWQUJMKSF-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CCC[NH2+][C@H]1C 308340850 573264989 /nfs/dbraw/zinc/26/49/89/573264989.db2.gz QWTUWXNYKKRKQQ-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CCC=C(CCCC[NH3+])C1 258265866 573265033 /nfs/dbraw/zinc/26/50/33/573265033.db2.gz YSVBUIULUHIERL-UHFFFAOYSA-N 2 1 182.311 1.767 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 86094120 573265148 /nfs/dbraw/zinc/26/51/48/573265148.db2.gz PZSFNFNBHOOGRU-GRYCIOLGSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C/C=C\CC[NH3+] 258267114 573265170 /nfs/dbraw/zinc/26/51/70/573265170.db2.gz RRJYWFOPVANSNU-DLRQAJBASA-N 2 1 182.311 1.766 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1C=C[C@@H]([NH3+])C1 86095696 573265454 /nfs/dbraw/zinc/26/54/54/573265454.db2.gz YYBYKBQOVRMIRM-WDEREUQCSA-N 2 1 194.322 1.764 10 0 ADAEMP C[N@H+](Cc1ccc[nH]1)CC1CC([NH3+])C1 259061862 573265481 /nfs/dbraw/zinc/26/54/81/573265481.db2.gz RGZMANJCMLZJID-UHFFFAOYSA-N 2 1 193.294 1.184 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CCC[NH2+][C@H]1C 308340849 573265528 /nfs/dbraw/zinc/26/55/28/573265528.db2.gz QWTUWXNYKKRKQQ-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1C=C[C@@H]([NH3+])C1 86094182 573265903 /nfs/dbraw/zinc/26/59/03/573265903.db2.gz SGHXGPSUROXRKK-VHSXEESVSA-N 2 1 168.284 1.230 10 0 ADAEMP CC(C)[N@H+]1CCCC[C@@H]1/C=C\C[NH3+] 258266798 573266073 /nfs/dbraw/zinc/26/60/73/573266073.db2.gz RPPWHSJTZIYDBG-JPVGGKMYSA-N 2 1 182.311 1.764 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 716657641 573266087 /nfs/dbraw/zinc/26/60/87/573266087.db2.gz RJZZTRBFIQCRAP-WTPMCQDGSA-N 2 1 194.322 1.373 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1C=C[C@@H]([NH3+])C1 86094187 573266095 /nfs/dbraw/zinc/26/60/95/573266095.db2.gz SGHXGPSUROXRKK-NXEZZACHSA-N 2 1 168.284 1.230 10 0 ADAEMP CC(C)[C@@H]([NH3+])CC[N@H+]1CC[C@H](C)C1 129227959 573266135 /nfs/dbraw/zinc/26/61/35/573266135.db2.gz GYHGEOIIAOSRIL-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 86095701 573266157 /nfs/dbraw/zinc/26/61/57/573266157.db2.gz YYBYKBQOVRMIRM-GHMZBOCLSA-N 2 1 194.322 1.764 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@H+]1CCCC[NH+](C)C 308336289 573266183 /nfs/dbraw/zinc/26/61/83/573266183.db2.gz ODURSJGPONVMRB-PHIMTYICSA-N 2 1 184.327 1.811 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 716657631 573266304 /nfs/dbraw/zinc/26/63/04/573266304.db2.gz RJZZTRBFIQCRAP-LDMBFOFVSA-N 2 1 194.322 1.373 10 0 ADAEMP CCC1(C[C@@H]([NH3+])C[NH+](C)C)CCC1 308341358 573266408 /nfs/dbraw/zinc/26/64/08/573266408.db2.gz RCKUPJSEIPXKSA-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]([NH3+])CC1CC1 308532724 573266490 /nfs/dbraw/zinc/26/64/90/573266490.db2.gz KMXURLSYUAWCOI-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C[C@@H]1C=C[C@@H]([NH3+])C1)C1CCCC1 86094369 573266504 /nfs/dbraw/zinc/26/65/04/573266504.db2.gz JYHJRBWMAMEMJG-GHMZBOCLSA-N 2 1 194.322 1.764 10 0 ADAEMP CC[N@@H+](C)C1(C)CC[NH2+]CC1 642885434 573266549 /nfs/dbraw/zinc/26/65/49/573266549.db2.gz JVHDERIWAUVCON-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 86094904 573266554 /nfs/dbraw/zinc/26/65/54/573266554.db2.gz NGAQRROZNGLSJW-OUAUKWLOSA-N 2 1 180.295 1.232 10 0 ADAEMP CC[N@@H+]1CC=C([C@@H](C)[NH2+]C)CC1 258265742 573266644 /nfs/dbraw/zinc/26/66/44/573266644.db2.gz YQPBPNJDZLAORL-SECBINFHSA-N 2 1 168.284 1.246 10 0 ADAEMP CC[C@@H](C[N@@H+]1CC2CCC1CC2)[NH2+]C 308532068 573266680 /nfs/dbraw/zinc/26/66/80/573266680.db2.gz QXKPFAXJVDVVMO-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C[N@H+]1CC2CCC1CC2)[NH2+]C 308532068 573266686 /nfs/dbraw/zinc/26/66/86/573266686.db2.gz QXKPFAXJVDVVMO-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C[N@@H+]1CC2CCC1CC2)[NH2+]C 308532071 573266760 /nfs/dbraw/zinc/26/67/60/573266760.db2.gz QXKPFAXJVDVVMO-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C[N@H+]1CC2CCC1CC2)[NH2+]C 308532071 573266765 /nfs/dbraw/zinc/26/67/65/573266765.db2.gz QXKPFAXJVDVVMO-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+](C[C@H]1C=C[C@@H]([NH3+])C1)C1CCCC1 86094363 573266825 /nfs/dbraw/zinc/26/68/25/573266825.db2.gz JYHJRBWMAMEMJG-WDEREUQCSA-N 2 1 194.322 1.764 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 716657592 573266832 /nfs/dbraw/zinc/26/68/32/573266832.db2.gz RJZZTRBFIQCRAP-DGORSVRFSA-N 2 1 194.322 1.373 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@H]2CCCC[N@H+]2C)O1 258614899 573268292 /nfs/dbraw/zinc/26/82/92/573268292.db2.gz RCEFUZVYPZSVEJ-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCCC[N@@H+]2C)O1 258614922 573266880 /nfs/dbraw/zinc/26/68/80/573266880.db2.gz RCEFUZVYPZSVEJ-OUAUKWLOSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCCC[N@H+]2C)O1 258614922 573266885 /nfs/dbraw/zinc/26/68/85/573266885.db2.gz RCEFUZVYPZSVEJ-OUAUKWLOSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1C=C[C@@H]([NH3+])C1 86094089 573266902 /nfs/dbraw/zinc/26/69/02/573266902.db2.gz VAAAUKJPSJLXDH-GRYCIOLGSA-N 2 1 194.322 1.764 10 0 ADAEMP Cc1[nH+]c(N)[nH]c1[C@H]1CCC[N@H+](C)C1 259062167 573267312 /nfs/dbraw/zinc/26/73/12/573267312.db2.gz HANHWPOSXNWWOC-QMMMGPOBSA-N 2 1 194.282 1.110 10 0 ADAEMP Cc1[nH]c(N)[nH+]c1[C@H]1CCC[N@@H+](C)C1 259062167 573267319 /nfs/dbraw/zinc/26/73/19/573267319.db2.gz HANHWPOSXNWWOC-QMMMGPOBSA-N 2 1 194.282 1.110 10 0 ADAEMP Cc1[nH]c(N)[nH+]c1[C@H]1CCC[N@H+](C)C1 259062167 573267322 /nfs/dbraw/zinc/26/73/22/573267322.db2.gz HANHWPOSXNWWOC-QMMMGPOBSA-N 2 1 194.282 1.110 10 0 ADAEMP CCC[N@@H+](C)C[C@H]1CCC[NH2+][C@@H]1C 308340847 573267359 /nfs/dbraw/zinc/26/73/59/573267359.db2.gz QWTUWXNYKKRKQQ-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)=CC[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40750153 573267476 /nfs/dbraw/zinc/26/74/76/573267476.db2.gz MHZOZJIDFODRME-YOGCLGLASA-N 2 1 194.322 1.907 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@@H]2CCCC[NH2+]2)C1 259060597 573267655 /nfs/dbraw/zinc/26/76/55/573267655.db2.gz FYYFSEWQUJMKSF-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+]1CC=C([C@H](C)[NH2+]C)CC1 258265746 573267709 /nfs/dbraw/zinc/26/77/09/573267709.db2.gz YQPBPNJDZLAORL-VIFPVBQESA-N 2 1 168.284 1.246 10 0 ADAEMP CN1CCC[C@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258272461 573270095 /nfs/dbraw/zinc/27/00/95/573270095.db2.gz BHHLDXLRBALVJE-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@@H+](C)Cc1cc(N)cc[nH+]1 86134405 573269186 /nfs/dbraw/zinc/26/91/86/573269186.db2.gz AFOGEXYXBINEGQ-UHFFFAOYSA-N 2 1 179.267 1.504 10 0 ADAEMP COCC(C)(C)[N@@H+](C)CC(C)(C)[NH3+] 308336234 573267999 /nfs/dbraw/zinc/26/79/99/573267999.db2.gz OAETVOWIFINRCR-UHFFFAOYSA-N 2 1 188.315 1.081 10 0 ADAEMP C[N@H+]1CC[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 238327399 573268000 /nfs/dbraw/zinc/26/80/00/573268000.db2.gz KFIJSQCEGJJFSE-IVZWLZJFSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@]12CCC[N@H+]2C 238329834 573269148 /nfs/dbraw/zinc/26/91/48/573269148.db2.gz NTGIHCUGCBFXHP-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 716657625 573268095 /nfs/dbraw/zinc/26/80/95/573268095.db2.gz RJZZTRBFIQCRAP-GCHJQGSQSA-N 2 1 194.322 1.373 10 0 ADAEMP CCC1(C[C@H]([NH3+])C[NH+](C)C)CCC1 308341357 573268166 /nfs/dbraw/zinc/26/81/66/573268166.db2.gz RCKUPJSEIPXKSA-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@H+]1CCCC[C@H]1/C=C\C[NH3+] 258266804 573268233 /nfs/dbraw/zinc/26/82/33/573268233.db2.gz RPPWHSJTZIYDBG-XOIDGJRKSA-N 2 1 182.311 1.764 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@H]2CCCC[N@@H+]2C)O1 258614899 573268288 /nfs/dbraw/zinc/26/82/88/573268288.db2.gz RCEFUZVYPZSVEJ-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP CNc1cc[nH+]c(C[NH+]2CCCC2)c1 86134376 573269157 /nfs/dbraw/zinc/26/91/57/573269157.db2.gz DYODQUDOLDMHGI-UHFFFAOYSA-N 2 1 191.278 1.719 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@H]2CCCC[NH2+]2)C1 259060598 573268640 /nfs/dbraw/zinc/26/86/40/573268640.db2.gz FYYFSEWQUJMKSF-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@H+](C)Cc1cc(N)cc[nH+]1 86134405 573269178 /nfs/dbraw/zinc/26/91/78/573269178.db2.gz AFOGEXYXBINEGQ-UHFFFAOYSA-N 2 1 179.267 1.504 10 0 ADAEMP C[C@@H]1CC[N@@H+](Cc2cc(N)cc[nH+]2)C1 86134547 573269015 /nfs/dbraw/zinc/26/90/15/573269015.db2.gz YGRJDPCHECAFCS-SECBINFHSA-N 2 1 191.278 1.506 10 0 ADAEMP CC(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 224144232 573269593 /nfs/dbraw/zinc/26/95/93/573269593.db2.gz NPBHQGIKZQTSPM-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 224144232 573269597 /nfs/dbraw/zinc/26/95/97/573269597.db2.gz NPBHQGIKZQTSPM-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP C1C[C@@H](C[NH2+]C2CC(C3CC3)C2)[NH2+]1 714667258 573270118 /nfs/dbraw/zinc/27/01/18/573270118.db2.gz AYXIRLBICXQTSR-YVNMAJEFSA-N 2 1 180.295 1.127 10 0 ADAEMP CCC[NH2+][C@@H](CC)Cn1cc[nH+]c1C 50180210 573269672 /nfs/dbraw/zinc/26/96/72/573269672.db2.gz CWVVJQSIMIRXIY-NSHDSACASA-N 2 1 195.310 1.970 10 0 ADAEMP CCC[NH2+][C@H](CC)C[NH+]1CCCC1 50166289 573269759 /nfs/dbraw/zinc/26/97/59/573269759.db2.gz QYLOBZGPMWLJHA-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC(C)CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]12 224144282 573269813 /nfs/dbraw/zinc/26/98/13/573269813.db2.gz NPBHQGIKZQTSPM-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1[nH+]ccn1C[C@H](CC)[NH2+]C 50180638 573269815 /nfs/dbraw/zinc/26/98/15/573269815.db2.gz HTUOFQFADKXMNH-VIFPVBQESA-N 2 1 181.283 1.444 10 0 ADAEMP CN1CCCC[C@H]1c1ncc(CN)o1 258270919 573270120 /nfs/dbraw/zinc/27/01/20/573270120.db2.gz XVBVPQNMLWNUPT-VIFPVBQESA-N 2 1 195.266 1.290 10 0 ADAEMP CC(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]12 224144282 573269823 /nfs/dbraw/zinc/26/98/23/573269823.db2.gz NPBHQGIKZQTSPM-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C[NH+](CC)CC)[NH2+]C 50166302 573269825 /nfs/dbraw/zinc/26/98/25/573269825.db2.gz HYOGEASIYMPPKJ-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[C@@H](C[N@H+](C)C(C)C)[NH2+]C 50166391 573269912 /nfs/dbraw/zinc/26/99/12/573269912.db2.gz UVFKULARKZKPTQ-VIFPVBQESA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@@H](C[N@@H+](C)C(C)C)[NH2+]C 50166391 573269917 /nfs/dbraw/zinc/26/99/17/573269917.db2.gz UVFKULARKZKPTQ-VIFPVBQESA-N 2 1 158.289 1.325 10 0 ADAEMP Nc1cc[nH+]c(C[NH+]2CCCC2)c1 86134375 573269990 /nfs/dbraw/zinc/26/99/90/573269990.db2.gz SERRNTXBCGTYLX-UHFFFAOYSA-N 2 1 177.251 1.260 10 0 ADAEMP C[C@H]1CC[N@@H+](Cc2cc(N)cc[nH+]2)C1 86134548 573270034 /nfs/dbraw/zinc/27/00/34/573270034.db2.gz YGRJDPCHECAFCS-VIFPVBQESA-N 2 1 191.278 1.506 10 0 ADAEMP C[N@@H+]1CCC[C@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258272461 573270099 /nfs/dbraw/zinc/27/00/99/573270099.db2.gz BHHLDXLRBALVJE-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2[NH2+]C(C)(C)CO2)C1 258272461 573270104 /nfs/dbraw/zinc/27/01/04/573270104.db2.gz BHHLDXLRBALVJE-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C 50166270 573270105 /nfs/dbraw/zinc/27/01/05/573270105.db2.gz AJUYFAPQVHABNV-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C[C@]1(C)NCCO1 258272339 573270483 /nfs/dbraw/zinc/27/04/83/573270483.db2.gz BFKTUVSKLCKFLN-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]1C[C@]1(C)[NH2+]CCO1 258272339 573270488 /nfs/dbraw/zinc/27/04/88/573270488.db2.gz BFKTUVSKLCKFLN-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C[C@]1(C)[NH2+]CCO1 258272339 573270491 /nfs/dbraw/zinc/27/04/91/573270491.db2.gz BFKTUVSKLCKFLN-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP C[NH2+]C/C=C\C[C@@H]1CCCC[N@H+]1C 258273661 573270526 /nfs/dbraw/zinc/27/05/26/573270526.db2.gz SAVQWKYKPPDQIY-USEMIUTHSA-N 2 1 182.311 1.636 10 0 ADAEMP CN1CCC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258272457 573270540 /nfs/dbraw/zinc/27/05/40/573270540.db2.gz BHHLDXLRBALVJE-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258272457 573270547 /nfs/dbraw/zinc/27/05/47/573270547.db2.gz BHHLDXLRBALVJE-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258272457 573270552 /nfs/dbraw/zinc/27/05/52/573270552.db2.gz BHHLDXLRBALVJE-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@H](C[NH+]1CCCCC1)[NH2+]C 50166404 573270555 /nfs/dbraw/zinc/27/05/55/573270555.db2.gz CRKJLONOHXQJHS-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](CC)[NH2+]C 50166544 573272447 /nfs/dbraw/zinc/27/24/47/573272447.db2.gz XISRSZIZYQDEMB-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CNc1cc[nH+]c(C[N@H+](C)C(C)C)c1 86134406 573272428 /nfs/dbraw/zinc/27/24/28/573272428.db2.gz XKQVNHYBDHZVHE-UHFFFAOYSA-N 2 1 193.294 1.964 10 0 ADAEMP CNc1cc[nH+]c(C[N@@H+](C)C(C)C)c1 86134406 573272433 /nfs/dbraw/zinc/27/24/33/573272433.db2.gz XKQVNHYBDHZVHE-UHFFFAOYSA-N 2 1 193.294 1.964 10 0 ADAEMP C[NH2+]C/C=C\C[C@H]1CCCC[N@H+]1C 258273657 573272434 /nfs/dbraw/zinc/27/24/34/573272434.db2.gz SAVQWKYKPPDQIY-MZBZXASESA-N 2 1 182.311 1.636 10 0 ADAEMP CCCC[N@H+](C)C[C@@H](CC)[NH2+]C 50166544 573272438 /nfs/dbraw/zinc/27/24/38/573272438.db2.gz XISRSZIZYQDEMB-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@H](C[NH+]1CCCCC1)[NH2+]C 50166402 573275121 /nfs/dbraw/zinc/27/51/21/573275121.db2.gz CRKJLONOHXQJHS-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[N@H+](C[C@H](CC)[NH2+]C)C1CC1 50179214 573274921 /nfs/dbraw/zinc/27/49/21/573274921.db2.gz XFUFQEHIGYIOSI-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](C[C@H](CC)[NH2+]C)C1CC1 50179214 573274925 /nfs/dbraw/zinc/27/49/25/573274925.db2.gz XFUFQEHIGYIOSI-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@@]12CCC[N@H+]2C 238331467 573275066 /nfs/dbraw/zinc/27/50/66/573275066.db2.gz NTGIHCUGCBFXHP-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C/C=C\CC[NH3+] 258275988 573275594 /nfs/dbraw/zinc/27/55/94/573275594.db2.gz SFOQALIQZDKQMH-ZMWSMAPVSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CCC[C@H]1C/C=C\CC[NH3+] 258275986 573277052 /nfs/dbraw/zinc/27/70/52/573277052.db2.gz SFOQALIQZDKQMH-MXQLGCADSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@@H+]1CCc2cscc2[C@@H]1CC[NH3+] 74241004 573278897 /nfs/dbraw/zinc/27/88/97/573278897.db2.gz QEIJYWZZWXXEEO-JTQLQIEISA-N 2 1 196.319 1.626 10 0 ADAEMP C[N@H+]1CCc2cscc2[C@@H]1CC[NH3+] 74241004 573278900 /nfs/dbraw/zinc/27/89/00/573278900.db2.gz QEIJYWZZWXXEEO-JTQLQIEISA-N 2 1 196.319 1.626 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@H](CC2CCCC2)C1 74240833 573278594 /nfs/dbraw/zinc/27/85/94/573278594.db2.gz OCZFMOPORYIQHK-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC[C@@H]2C[C@@H]21 308536505 573278692 /nfs/dbraw/zinc/27/86/92/573278692.db2.gz LLRGXNXNMLLYEP-WOPDTQHZSA-N 2 1 196.338 1.750 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1/C=C\CC[NH3+] 258276084 573278950 /nfs/dbraw/zinc/27/89/50/573278950.db2.gz SGVVUCGSKDNYPP-UUSYTGMJSA-N 2 1 182.311 1.764 10 0 ADAEMP C[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 82923293 573280227 /nfs/dbraw/zinc/28/02/27/573280227.db2.gz BGGBOYHUVVCZDO-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC[C@H]2C[C@H]21 308536495 573279889 /nfs/dbraw/zinc/27/98/89/573279889.db2.gz LLRGXNXNMLLYEP-TUAOUCFPSA-N 2 1 196.338 1.750 10 0 ADAEMP CCC[C@H](C[N@@H+]1CC[C@H](C)C1)[NH2+]C 50185107 573279955 /nfs/dbraw/zinc/27/99/55/573279955.db2.gz VOBYBIKNPFLUQX-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C[N@H+]1CC[C@H](C)C1)[NH2+]C 50185107 573279958 /nfs/dbraw/zinc/27/99/58/573279958.db2.gz VOBYBIKNPFLUQX-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923163 573280032 /nfs/dbraw/zinc/28/00/32/573280032.db2.gz WABXNLSMGXSGHW-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923163 573280036 /nfs/dbraw/zinc/28/00/36/573280036.db2.gz WABXNLSMGXSGHW-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@@H+]1CCC(C)(C)C[C@H]1C[NH3+] 238332662 573280244 /nfs/dbraw/zinc/28/02/44/573280244.db2.gz LKEZJQVLBRBRAP-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCC(C)(C)C[C@H]1C[NH3+] 238332662 573280246 /nfs/dbraw/zinc/28/02/46/573280246.db2.gz LKEZJQVLBRBRAP-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+](CC(C)C)[C@H](C)C(N)=[NH2+] 393580838 573280441 /nfs/dbraw/zinc/28/04/41/573280441.db2.gz GEVYVCPGYUQWAB-SECBINFHSA-N 2 1 185.315 1.679 10 0 ADAEMP CCC[N@@H+](CC(C)C)[C@H](C)C(N)=[NH2+] 393580838 573280444 /nfs/dbraw/zinc/28/04/44/573280444.db2.gz GEVYVCPGYUQWAB-SECBINFHSA-N 2 1 185.315 1.679 10 0 ADAEMP C1CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923129 573280688 /nfs/dbraw/zinc/28/06/88/573280688.db2.gz ATLFZSNCEIBCDK-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C/C=C/CC[NH2+]C1CC[NH+](C)CC1 129399905 573281354 /nfs/dbraw/zinc/28/13/54/573281354.db2.gz WCBUWMBIORODEA-ONEGZZNKSA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923180 573282054 /nfs/dbraw/zinc/28/20/54/573282054.db2.gz AAEZCKVIMLNGFM-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923180 573282060 /nfs/dbraw/zinc/28/20/60/573282060.db2.gz AAEZCKVIMLNGFM-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[C@@H]1CC[N@@H+](C)C1 259402261 573282211 /nfs/dbraw/zinc/28/22/11/573282211.db2.gz OEQCHMVBYIPCDV-QWRGUYRKSA-N 2 1 184.327 1.559 10 0 ADAEMP Cc1occc1C[NH+]1CCC([NH3+])CC1 74246079 573282318 /nfs/dbraw/zinc/28/23/18/573282318.db2.gz JQGKZQDRDNDMRL-UHFFFAOYSA-N 2 1 194.278 1.511 10 0 ADAEMP C[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 82923294 573282416 /nfs/dbraw/zinc/28/24/16/573282416.db2.gz BGGBOYHUVVCZDO-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])[C@@H](c2ccccc2)C1 238333021 573282768 /nfs/dbraw/zinc/28/27/68/573282768.db2.gz SAZLRTLSQAZLSR-NEPJUHHUSA-N 2 1 190.290 1.433 10 0 ADAEMP CC(C)(C)CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923152 573282903 /nfs/dbraw/zinc/28/29/03/573282903.db2.gz OUEBBELQTCOQFK-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923152 573282912 /nfs/dbraw/zinc/28/29/12/573282912.db2.gz OUEBBELQTCOQFK-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C1CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 82923142 573282944 /nfs/dbraw/zinc/28/29/44/573282944.db2.gz NUMQHHWDZPWMDC-CMPLNLGQSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@H+]1CC[C@H](CC(C)(C)C[NH3+])C1 259403226 573283369 /nfs/dbraw/zinc/28/33/69/573283369.db2.gz IKSUTVBSTGVFDN-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@H](C)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923253 573284342 /nfs/dbraw/zinc/28/43/42/573284342.db2.gz LJDLUVRXUXJDHF-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 82923253 573284348 /nfs/dbraw/zinc/28/43/48/573284348.db2.gz LJDLUVRXUXJDHF-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CO[C@](C)([C@H]2CCC[N@H+](C)C2)[NH2+]1 258619018 573284359 /nfs/dbraw/zinc/28/43/59/573284359.db2.gz REOKYFYEMUYEDJ-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP C1CCC(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 82923198 573285016 /nfs/dbraw/zinc/28/50/16/573285016.db2.gz UHCULJHJHXVERW-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP CC(=[NH2+])N(C)C[C@@H]1CCC[N@H+]1C 86190281 573286021 /nfs/dbraw/zinc/28/60/21/573286021.db2.gz YYPPOXQDHOULLK-VIFPVBQESA-N 2 1 169.272 1.010 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[C@H]1CC[N@@H+](C)C1 259402257 573285797 /nfs/dbraw/zinc/28/57/97/573285797.db2.gz OEQCHMVBYIPCDV-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC2)C1 259068916 573285892 /nfs/dbraw/zinc/28/58/92/573285892.db2.gz GSXQCFAZBFEETF-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC2)C1 259068911 573285931 /nfs/dbraw/zinc/28/59/31/573285931.db2.gz GSXQCFAZBFEETF-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H](C)[N@@H+]1CC=C(C[NH3+])CC1 259067397 573287249 /nfs/dbraw/zinc/28/72/49/573287249.db2.gz BNFZWTBNLGARFD-VIFPVBQESA-N 2 1 168.284 1.376 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C/C=C\C[NH3+] 258277943 573286626 /nfs/dbraw/zinc/28/66/26/573286626.db2.gz SISRKTBPUWYLCY-XOULXFPDSA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)CC(C)C)CCC1 259069617 573286797 /nfs/dbraw/zinc/28/67/97/573286797.db2.gz UIWTWKKNCLMXRJ-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 258279965 573287289 /nfs/dbraw/zinc/28/72/89/573287289.db2.gz SLOXNHDZVMHIHZ-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H]2C[NH2+][C@@H](C)C2)C1 258278079 573286853 /nfs/dbraw/zinc/28/68/53/573286853.db2.gz SJYLNCLBSNBZBU-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](C)C2)C[NH2+]1 258279968 573286939 /nfs/dbraw/zinc/28/69/39/573286939.db2.gz SLOXNHDZVMHIHZ-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@]1([C@H]2CC[N@@H+](C)C2)C[C@H]1C 259067715 573287071 /nfs/dbraw/zinc/28/70/71/573287071.db2.gz XQWKTYJLTSIWQB-OUAUKWLOSA-N 2 1 182.311 1.184 10 0 ADAEMP C[NH2+]C[C@]1([C@@H]2CC[N@@H+](C)C2)C[C@@H]1C 259067714 573287127 /nfs/dbraw/zinc/28/71/27/573287127.db2.gz XQWKTYJLTSIWQB-HBNTYKKESA-N 2 1 182.311 1.184 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2C[NH2+][C@H](C)C2)C1 258278084 573287546 /nfs/dbraw/zinc/28/75/46/573287546.db2.gz SJYLNCLBSNBZBU-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(=[NH2+])N(C)C[C@H]1CCC[N@H+]1C 86190282 573289522 /nfs/dbraw/zinc/28/95/22/573289522.db2.gz YYPPOXQDHOULLK-SECBINFHSA-N 2 1 169.272 1.010 10 0 ADAEMP C[NH2+][C@H](c1ccc[nH]1)C(C)(C)[NH3+] 259404893 573288765 /nfs/dbraw/zinc/28/87/65/573288765.db2.gz LXVQWAWPZLEHEE-MRVPVSSYSA-N 2 1 167.256 1.013 10 0 ADAEMP C[NH2+][C@@H](c1ccc(C)o1)C(C)(C)C[NH3+] 259406119 573288836 /nfs/dbraw/zinc/28/88/36/573288836.db2.gz MXEYTKMOKILOTA-JTQLQIEISA-N 2 1 196.294 1.833 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2C[NH2+][C@@H](C)C2)C1 258278076 573288915 /nfs/dbraw/zinc/28/89/15/573288915.db2.gz SJYLNCLBSNBZBU-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@@H+]1CC2CC(C2)[C@H]1C[NH3+] 258619993 573288918 /nfs/dbraw/zinc/28/89/18/573288918.db2.gz WOUBTXIQHQZPBM-UDNWOFFPSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)[N@H+]1CC2CC(C2)[C@H]1C[NH3+] 258619993 573288924 /nfs/dbraw/zinc/28/89/24/573288924.db2.gz WOUBTXIQHQZPBM-UDNWOFFPSA-N 2 1 168.284 1.064 10 0 ADAEMP CCc1[nH]c2c([nH+]1)C[C@@H](CC[NH3+])CC2 74247445 573289133 /nfs/dbraw/zinc/28/91/33/573289133.db2.gz FVLLTBKJIPSRPW-MRVPVSSYSA-N 2 1 193.294 1.426 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86192590 573291093 /nfs/dbraw/zinc/29/10/93/573291093.db2.gz JFDLVFRMDBFMTO-RKDXNWHRSA-N 2 1 179.267 1.133 10 0 ADAEMP CC[C@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86193726 573291155 /nfs/dbraw/zinc/29/11/55/573291155.db2.gz GDCJGEMTWJYXNK-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C2 86193723 573291220 /nfs/dbraw/zinc/29/12/20/573291220.db2.gz GDCJGEMTWJYXNK-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@]12CC[N@H+](C1CC1)C2 86192398 573292110 /nfs/dbraw/zinc/29/21/10/573292110.db2.gz GADBDXUDUOMFLC-CMPLNLGQSA-N 2 1 194.322 1.470 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1CC[NH2+]C[C@@H]1C 86192150 573292171 /nfs/dbraw/zinc/29/21/71/573292171.db2.gz KZBAQBQLQQNMAL-VHSXEESVSA-N 2 1 193.294 1.616 10 0 ADAEMP C[NH2+][C@@H](c1ccc[nH]1)C(C)(C)[NH3+] 259404894 573292368 /nfs/dbraw/zinc/29/23/68/573292368.db2.gz LXVQWAWPZLEHEE-QMMMGPOBSA-N 2 1 167.256 1.013 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CC[NH2+]C[C@@H]2C)C1 86192471 573292395 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ADBRCDHCFIOPDV-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@]12CC[N@H+](C1CC1)C2 86192397 573292895 /nfs/dbraw/zinc/29/28/95/573292895.db2.gz GADBDXUDUOMFLC-ZYHUDNBSSA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)[C@@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86193287 573292909 /nfs/dbraw/zinc/29/29/09/573292909.db2.gz HDDUALJLLJXQFW-NWDGAFQWSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1(C)C 259405013 573292911 /nfs/dbraw/zinc/29/29/11/573292911.db2.gz MMYPJSBLCKBSDV-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1c1c[nH+]cn1C 86192591 573293064 /nfs/dbraw/zinc/29/30/64/573293064.db2.gz JFDLVFRMDBFMTO-DTWKUNHWSA-N 2 1 179.267 1.133 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@]12CC[N@H+](C1CC1)C2 86192395 573293129 /nfs/dbraw/zinc/29/31/29/573293129.db2.gz GADBDXUDUOMFLC-PWSUYJOCSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC[C@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86192925 573293190 /nfs/dbraw/zinc/29/31/90/573293190.db2.gz MHGQZQIIPIUSOC-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]C1CCC([C@H]2CC[N@@H+](C)C2)CC1 259404541 573293194 /nfs/dbraw/zinc/29/31/94/573293194.db2.gz XFGBFSDITOIPCO-CXQJBGSLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C/C=C\[C@H]1CCC[N@@H+](C)C1 257996800 573293281 /nfs/dbraw/zinc/29/32/81/573293281.db2.gz ABMKEQKJOUPCNG-ATPLWMGHSA-N 2 1 168.284 1.104 10 0 ADAEMP C[N@H+]1CC=C(C[NH2+]C2CCC2)C1 257997129 573293867 /nfs/dbraw/zinc/29/38/67/573293867.db2.gz IERWSSSQWAWFHL-UHFFFAOYSA-N 2 1 166.268 1.000 10 0 ADAEMP CCc1c[nH]c([C@H](C)CC[NH3+])[nH+]1 259072464 573293290 /nfs/dbraw/zinc/29/32/90/573293290.db2.gz KXBYXLNAQXKLSI-SSDOTTSWSA-N 2 1 167.256 1.424 10 0 ADAEMP CC(C)[C@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86193288 573293316 /nfs/dbraw/zinc/29/33/16/573293316.db2.gz HDDUALJLLJXQFW-VXGBXAGGSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)[C@@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C2 86193285 573293341 /nfs/dbraw/zinc/29/33/41/573293341.db2.gz HDDUALJLLJXQFW-RYUDHWBXSA-N 2 1 196.338 1.574 10 0 ADAEMP Cc1cccc(NC[C@H](N)C[NH3+])c1C 259070558 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USFNZXBNQTVRQY-VHSXEESVSA-N 2 1 193.294 1.523 10 0 ADAEMP CC[C@H](C)[C@@H]1C[N@@H+](C)CCC[NH2+]1 82941214 573302076 /nfs/dbraw/zinc/30/20/76/573302076.db2.gz SRDRFNMVHYTGBI-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP [NH3+]CC1([C@@H]([NH3+])c2ccccn2)CCC1 259407293 573299706 /nfs/dbraw/zinc/29/97/06/573299706.db2.gz MBSVHMXEABBBTM-JTQLQIEISA-N 2 1 191.278 1.210 10 0 ADAEMP CC(C)[N@H+]1CC[NH2+]C(C)(C)CC1 259407504 573299799 /nfs/dbraw/zinc/29/97/99/573299799.db2.gz YJMRVAZPCOMJGC-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C)[C@H]1C[N@@H+](C)CCC[NH2+]1 82941217 573299974 /nfs/dbraw/zinc/29/99/74/573299974.db2.gz SRDRFNMVHYTGBI-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]CC1([C@@H]2CCC[N@@H+](C)C2)CCC1 259073544 573300171 /nfs/dbraw/zinc/30/01/71/573300171.db2.gz CAWSYGRZLWUURC-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCC[N@@H+]2C)OC1 258285740 573300417 /nfs/dbraw/zinc/30/04/17/573300417.db2.gz BVLWDQLJTLZWOE-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCC[N@H+]2C)OC1 258285740 573300423 /nfs/dbraw/zinc/30/04/23/573300423.db2.gz BVLWDQLJTLZWOE-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP c1cc2c([C@@H]3CC[NH2+]C3)[nH+]ccc2[nH]1 74278816 573300677 /nfs/dbraw/zinc/30/06/77/573300677.db2.gz BNBHYYZCNDWXJG-MRVPVSSYSA-N 2 1 187.246 1.640 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1[C@H](C)C[NH3+] 259410449 573300879 /nfs/dbraw/zinc/30/08/79/573300879.db2.gz IVTHAHANWXREST-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH2+]C/C=C\[C@H]1CC[N@H+](C(C)C)C1 258286194 573301208 /nfs/dbraw/zinc/30/12/08/573301208.db2.gz SYKBJDLZOUGMLH-WYGGZMRJSA-N 2 1 182.311 1.492 10 0 ADAEMP CC[C@H](C)[C@@H]1C[N@@H+](CC)CCC[NH2+]1 82941143 573301435 /nfs/dbraw/zinc/30/14/35/573301435.db2.gz WZGQIWWSJMSMSR-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1[C@@H](C)C[NH3+] 259410451 573301450 /nfs/dbraw/zinc/30/14/50/573301450.db2.gz IVTHAHANWXREST-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CCC[NH2+]CCC1(C)C 259409934 573301499 /nfs/dbraw/zinc/30/14/99/573301499.db2.gz MTENFLQIFCAECA-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1[C@@H](C)C[NH3+] 259410452 573301707 /nfs/dbraw/zinc/30/17/07/573301707.db2.gz IVTHAHANWXREST-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCC[N@@H+]2C)OC1 258285717 573301814 /nfs/dbraw/zinc/30/18/14/573301814.db2.gz BVLWDQLJTLZWOE-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCC[N@H+]2C)OC1 258285717 573301821 /nfs/dbraw/zinc/30/18/21/573301821.db2.gz BVLWDQLJTLZWOE-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@@H](C)[C@@H]1C[N@@H+](CC)CCC[NH2+]1 82941141 573301920 /nfs/dbraw/zinc/30/19/20/573301920.db2.gz WZGQIWWSJMSMSR-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]CCCCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126065751 573304617 /nfs/dbraw/zinc/30/46/17/573304617.db2.gz FDAOBMUOCGNEMH-TXEJJXNPSA-N 2 1 196.338 1.847 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258286189 573304626 /nfs/dbraw/zinc/30/46/26/573304626.db2.gz SYFCEZCQMBSPBM-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)[C@H]1C[N@@H+](CC)CCC[NH2+]1 82941146 573303663 /nfs/dbraw/zinc/30/36/63/573303663.db2.gz WZGQIWWSJMSMSR-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+](CC1CC([NH3+])C1)C1CCC1 259079008 573303700 /nfs/dbraw/zinc/30/37/00/573303700.db2.gz SKIZBDTZVZSMQR-UHFFFAOYSA-N 2 1 168.284 1.208 10 0 ADAEMP CCc1c[nH]c(CC[C@H](C)[NH3+])[nH+]1 259079037 573303730 /nfs/dbraw/zinc/30/37/30/573303730.db2.gz LLJZAMFHHGHQHR-ZETCQYMHSA-N 2 1 167.256 1.252 10 0 ADAEMP Cc1[nH]c(CC[NH3+])c(C(C)(C)C)[nH+]1 74301349 573303784 /nfs/dbraw/zinc/30/37/84/573303784.db2.gz ZNTCZIXXRFHVCO-UHFFFAOYSA-N 2 1 181.283 1.517 10 0 ADAEMP CCC[N@H+]1CC[C@H](C2CC[NH2+]CC2)C1 259410962 573303915 /nfs/dbraw/zinc/30/39/15/573303915.db2.gz YOBFLIBZWYKEBF-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258286188 573303921 /nfs/dbraw/zinc/30/39/21/573303921.db2.gz SYFCEZCQMBSPBM-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CC(C)(C)NCC[C@H]1C 82942969 573307005 /nfs/dbraw/zinc/30/70/05/573307005.db2.gz NNGFZZPYSYALJS-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258286186 573304473 /nfs/dbraw/zinc/30/44/73/573304473.db2.gz SYFCEZCQMBSPBM-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCCC[C@H](C[NH3+])CCC1 238340719 573304486 /nfs/dbraw/zinc/30/44/86/573304486.db2.gz LLAKMVUJBZNQSR-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1[C@H](C)C[NH3+] 259410453 573304494 /nfs/dbraw/zinc/30/44/94/573304494.db2.gz IVTHAHANWXREST-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258286185 573304657 /nfs/dbraw/zinc/30/46/57/573304657.db2.gz SYFCEZCQMBSPBM-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCC[N@@H+]2C)OC1 258285747 573305751 /nfs/dbraw/zinc/30/57/51/573305751.db2.gz BVLWDQLJTLZWOE-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP CCc1c[nH]c(C[C@H](C)C[NH3+])[nH+]1 259076934 573305406 /nfs/dbraw/zinc/30/54/06/573305406.db2.gz LHSUOXPYOTWRLZ-ZETCQYMHSA-N 2 1 167.256 1.109 10 0 ADAEMP CC[C@@H](C)[C@H]1C[N@@H+](CC)CCC[NH2+]1 82941145 573305483 /nfs/dbraw/zinc/30/54/83/573305483.db2.gz WZGQIWWSJMSMSR-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCC[N@H+]2C)OC1 258285747 573305759 /nfs/dbraw/zinc/30/57/59/573305759.db2.gz BVLWDQLJTLZWOE-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@@H](C)[C@H]1C[N@@H+](C)CCC[NH2+]1 82941216 573305567 /nfs/dbraw/zinc/30/55/67/573305567.db2.gz SRDRFNMVHYTGBI-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCCCC[N@H+]1CCC[C@H]1CC[NH3+] 259411045 573306436 /nfs/dbraw/zinc/30/64/36/573306436.db2.gz YPBWERGCKQZURO-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP C[N@@H+](CCC1CC1)CC1(C[NH3+])CCC1 308545582 573306482 /nfs/dbraw/zinc/30/64/82/573306482.db2.gz VRMYYTLPUQOHLH-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@@H]2C[C@@H]21 393583774 573306498 /nfs/dbraw/zinc/30/64/98/573306498.db2.gz NALXPTCHRSCLFN-VWYCJHECSA-N 2 1 182.311 1.504 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@@]1(C)C[C@@H]1C 714669434 573306518 /nfs/dbraw/zinc/30/65/18/573306518.db2.gz UBAGZNLTKAJLSA-AEJSXWLSSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCCCC[NH2+][C@H](C)C[NH2+]C 162164573 573306628 /nfs/dbraw/zinc/30/66/28/573306628.db2.gz BNHNBQHJSMLMKU-SNVBAGLBSA-N 2 1 172.316 1.764 10 0 ADAEMP C[N@H+]1CCCC[C@H](C[NH3+])[C@@H]1C1CC1 238340748 573306642 /nfs/dbraw/zinc/30/66/42/573306642.db2.gz KTGYCROXBBUWAG-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](C[NH2+][C@@]1(C[NH3+])CC[C@@H]1C)C1CC1 308544402 573306734 /nfs/dbraw/zinc/30/67/34/573306734.db2.gz PCMNTZMEJNLTHB-JFGNBEQYSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[N@H+]1C[C@H](C2CC2)NCC[C@@H]1C 82943479 573306912 /nfs/dbraw/zinc/30/69/12/573306912.db2.gz HZDCSHZQWAZFIM-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CCN1C[C@H](C2CC2)[NH2+]CC[C@@H]1C 82943479 573306922 /nfs/dbraw/zinc/30/69/22/573306922.db2.gz HZDCSHZQWAZFIM-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CCN1CC(C)(C)[NH2+]CC[C@H]1C 82942969 573307011 /nfs/dbraw/zinc/30/70/11/573307011.db2.gz NNGFZZPYSYALJS-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@@]1(C)C[C@H]1C 714669436 573307027 /nfs/dbraw/zinc/30/70/27/573307027.db2.gz UBAGZNLTKAJLSA-BBBLOLIVSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@H]1CCNC(C)(C)C[N@H+]1CC1CC1 82942976 573307036 /nfs/dbraw/zinc/30/70/36/573307036.db2.gz WXWQPXFSBXKOEA-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1c[nH]c(C[C@@H](C)C[NH3+])[nH+]1 259076929 573307978 /nfs/dbraw/zinc/30/79/78/573307978.db2.gz LHSUOXPYOTWRLZ-SSDOTTSWSA-N 2 1 167.256 1.109 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C)NCC[C@H]1C 82942450 573307178 /nfs/dbraw/zinc/30/71/78/573307178.db2.gz FQHZAHBWNSGJFZ-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1CCNCC[N@H+]1CC1CC1 82942838 573307208 /nfs/dbraw/zinc/30/72/08/573307208.db2.gz DUVOAXWGFIOILK-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CC[NH2+]CCN1CC1CC1 82942838 573307210 /nfs/dbraw/zinc/30/72/10/573307210.db2.gz DUVOAXWGFIOILK-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[N@H+]1CC(C)(C)NCC[C@@H]1C 82942987 573307317 /nfs/dbraw/zinc/30/73/17/573307317.db2.gz CLCOMSXOINRFCB-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@@H]1C[C@H](C[C@@H]2CCC[N@H+]2C)C[NH2+]1 258253088 573307350 /nfs/dbraw/zinc/30/73/50/573307350.db2.gz QSXHBUHXGCYPKB-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC2CC2)[C@H](C)CCN1 82943343 573307688 /nfs/dbraw/zinc/30/76/88/573307688.db2.gz RHZAFDHNIDFJRJ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@]1(C)C[C@H]1C 714669441 573307717 /nfs/dbraw/zinc/30/77/17/573307717.db2.gz UBAGZNLTKAJLSA-OPRDCNLKSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCN1CCC[NH2+][C@](C)(CC)C1 82942134 573307724 /nfs/dbraw/zinc/30/77/24/573307724.db2.gz WFNYNVARGIDPHX-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[N@H+]1CC(C)(C)NCC[C@@H]1C 82942967 573307747 /nfs/dbraw/zinc/30/77/47/573307747.db2.gz NNGFZZPYSYALJS-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CCN1CC(C)(C)[NH2+]CC[C@@H]1C 82942967 573307752 /nfs/dbraw/zinc/30/77/52/573307752.db2.gz NNGFZZPYSYALJS-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258255354 573307777 /nfs/dbraw/zinc/30/77/77/573307777.db2.gz QWENZZNXGMDBJU-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@H]1C[N@H+](C(C)C)CCC[NH2+]1 82941564 573307822 /nfs/dbraw/zinc/30/78/22/573307822.db2.gz SDJXBRQEKWMDCM-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CCC[C@@H](/C=C\C[NH3+])C1 258255400 573307858 /nfs/dbraw/zinc/30/78/58/573307858.db2.gz QXBHUQMQSUGEGR-TZGMSPROSA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@H](C[NH2+][C@@]1(C[NH3+])CC[C@H]1C)C1CC1 308544398 573307953 /nfs/dbraw/zinc/30/79/53/573307953.db2.gz PCMNTZMEJNLTHB-CKYFFXLPSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC2)[C@H](C)CCN1 82942457 573308588 /nfs/dbraw/zinc/30/85/88/573308588.db2.gz UASGOTFTGGPNHP-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)n1c[nH+]cc1[C@H](C)C[NH3+] 308343868 573308682 /nfs/dbraw/zinc/30/86/82/573308682.db2.gz SWHBPTUGUYTBFQ-BDAKNGLRSA-N 2 1 181.283 1.916 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258255348 573308698 /nfs/dbraw/zinc/30/86/98/573308698.db2.gz QWENZZNXGMDBJU-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]([NH3+])c1cccnc1 259411587 573308833 /nfs/dbraw/zinc/30/88/33/573308833.db2.gz MFLBNZGDTRPQTB-ONGXEEELSA-N 2 1 193.294 1.327 10 0 ADAEMP C[C@@H]([NH3+])CCC1=CC[N@@H+](C)CC1 258255470 573308838 /nfs/dbraw/zinc/30/88/38/573308838.db2.gz YCXUCJCUZRRMKM-SECBINFHSA-N 2 1 168.284 1.376 10 0 ADAEMP C[C@@H]1C[C@H](C[C@H]2CCC[N@H+]2C)C[NH2+]1 258253087 573308868 /nfs/dbraw/zinc/30/88/68/573308868.db2.gz QSXHBUHXGCYPKB-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]([NH3+])c1cccnc1 259411582 573308879 /nfs/dbraw/zinc/30/88/79/573308879.db2.gz MFLBNZGDTRPQTB-MWLCHTKSSA-N 2 1 193.294 1.327 10 0 ADAEMP CC[C@H]1C[N@@H+](CC)[C@H](C)CCN1 82943338 573308992 /nfs/dbraw/zinc/30/89/92/573308992.db2.gz YKKCHLBTZBSILA-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H]1CN(CC)[C@H](C)CC[NH2+]1 82943338 573309000 /nfs/dbraw/zinc/30/90/00/573309000.db2.gz YKKCHLBTZBSILA-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C[NH2+]C)C[NH2+]Cc1ccco1 258624340 573309058 /nfs/dbraw/zinc/30/90/58/573309058.db2.gz JWCGILBGKKABBF-SNVBAGLBSA-N 2 1 196.294 1.615 10 0 ADAEMP CC[C@H]1C[N@@H+](CC)CCC[NH2+]1 82941828 573309087 /nfs/dbraw/zinc/30/90/87/573309087.db2.gz CWNVJUXJOAEMHF-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)CN1CCC[NH2+][C@H](C2CC2)C1 82942025 573309123 /nfs/dbraw/zinc/30/91/23/573309123.db2.gz HIQOLPFCJAXJHW-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1C[C@H](C)NCC[C@@H]1C 82942446 573309190 /nfs/dbraw/zinc/30/91/90/573309190.db2.gz HVLNILYYCXKTLX-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CCN1C[C@H](C)[NH2+]CC[C@@H]1C 82942446 573309198 /nfs/dbraw/zinc/30/91/98/573309198.db2.gz HVLNILYYCXKTLX-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@@H]1C[N@@H+](C(C)C)[C@H](C)CCN1 82943352 573309236 /nfs/dbraw/zinc/30/92/36/573309236.db2.gz GQJCSFUVAPUUQP-GHMZBOCLSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]1CN(C(C)C)[C@H](C)CC[NH2+]1 82943352 573309242 /nfs/dbraw/zinc/30/92/42/573309242.db2.gz GQJCSFUVAPUUQP-GHMZBOCLSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@H](C[NH2+][C@]1(C[NH3+])CC[C@H]1C)C1CC1 308544400 573309256 /nfs/dbraw/zinc/30/92/56/573309256.db2.gz PCMNTZMEJNLTHB-FOGDFJRCSA-N 2 1 196.338 1.750 10 0 ADAEMP CCC[N@H+]1C[C@@H](C2CC2)NCC[C@@H]1C 82943526 573309383 /nfs/dbraw/zinc/30/93/83/573309383.db2.gz LMPCKCYSLZMYBA-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCN1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943526 573309392 /nfs/dbraw/zinc/30/93/92/573309392.db2.gz LMPCKCYSLZMYBA-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C)NCC[C@@H]1C 82942452 573309422 /nfs/dbraw/zinc/30/94/22/573309422.db2.gz FQHZAHBWNSGJFZ-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H](F)CC[NH3+])C1 238346748 573309556 /nfs/dbraw/zinc/30/95/56/573309556.db2.gz OSPFZTPHIBYLEU-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC[C@H]([NH3+])C1 74304542 573309614 /nfs/dbraw/zinc/30/96/14/573309614.db2.gz VKCRYNCGGNJPLA-UWVGGRQHSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1[nH+]cn2c1CCC[C@@H]2CC[NH3+] 74304422 573309652 /nfs/dbraw/zinc/30/96/52/573309652.db2.gz HZQUWLIAUNCDAG-SECBINFHSA-N 2 1 179.267 1.418 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]([NH3+])c1cccnc1 259411578 573309685 /nfs/dbraw/zinc/30/96/85/573309685.db2.gz MFLBNZGDTRPQTB-KOLCDFICSA-N 2 1 193.294 1.327 10 0 ADAEMP C[C@H]1CCNCC[N@H+]1CC1CCCC1 82942843 573311556 /nfs/dbraw/zinc/31/15/56/573311556.db2.gz KEOXVENZGBBTGU-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[NH2+]C(C)(C)CN1C 82943024 573310394 /nfs/dbraw/zinc/31/03/94/573310394.db2.gz QBEPUMVDNLDTGP-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP CC(C)CN1CCC[NH2+][C@@H](C2CC2)C1 82942028 573310466 /nfs/dbraw/zinc/31/04/66/573310466.db2.gz HIQOLPFCJAXJHW-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1C[C@@H](C)NCC[C@@H]1C 82942560 573310524 /nfs/dbraw/zinc/31/05/24/573310524.db2.gz WNFAGBKHNATBQP-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CCCN1C[C@@H](C)[NH2+]CC[C@@H]1C 82942560 573310528 /nfs/dbraw/zinc/31/05/28/573310528.db2.gz WNFAGBKHNATBQP-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1CCNC(C)(C)C[N@H+]1CC1CC1 82942975 573310588 /nfs/dbraw/zinc/31/05/88/573310588.db2.gz WXWQPXFSBXKOEA-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@@H](CC[NH3+])C2 74304430 573310797 /nfs/dbraw/zinc/31/07/97/573310797.db2.gz XSBLSDUSUAGOMQ-QMMMGPOBSA-N 2 1 179.267 1.172 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC)CCC[NH2+]1 82941827 573310820 /nfs/dbraw/zinc/31/08/20/573310820.db2.gz CWNVJUXJOAEMHF-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CCNCC[C@@H]1C 82942898 573310850 /nfs/dbraw/zinc/31/08/50/573310850.db2.gz ZAASSNUODYSCGB-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCNCC[C@@H]1C 82942900 573310967 /nfs/dbraw/zinc/31/09/67/573310967.db2.gz ZAASSNUODYSCGB-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@]1(C)CCC[NH2+]1 258627597 573311092 /nfs/dbraw/zinc/31/10/92/573311092.db2.gz XJGBCUOSPAKMIJ-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H](CC[NH3+])C2 74304431 573311126 /nfs/dbraw/zinc/31/11/26/573311126.db2.gz XSBLSDUSUAGOMQ-MRVPVSSYSA-N 2 1 179.267 1.172 10 0 ADAEMP CC[C@@]1(C)CN(C(C)C)CCC[NH2+]1 82942112 573311256 /nfs/dbraw/zinc/31/12/56/573311256.db2.gz LTTNOYPIDLRAAA-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1C[C@@H](CC)NCC[C@@H]1C 82943371 573311284 /nfs/dbraw/zinc/31/12/84/573311284.db2.gz YUNDMVSUXZCMJE-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCN1C[C@@H](CC)[NH2+]CC[C@@H]1C 82943371 573311292 /nfs/dbraw/zinc/31/12/92/573311292.db2.gz YUNDMVSUXZCMJE-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP [NH3+]CC1CCC(c2[nH]cc[nH+]2)CC1 74304446 573311351 /nfs/dbraw/zinc/31/13/51/573311351.db2.gz YXDMTUXSBWIGCW-UHFFFAOYSA-N 2 1 179.267 1.642 10 0 ADAEMP CC[N@H+]1CCC[C@H](/C=C\C[NH3+])C1 258255398 573311396 /nfs/dbraw/zinc/31/13/96/573311396.db2.gz QXBHUQMQSUGEGR-ATPLWMGHSA-N 2 1 168.284 1.233 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C2CC2)NCC[C@H]1C 82943511 573311469 /nfs/dbraw/zinc/31/14/69/573311469.db2.gz LRJXKPBSCWTSRE-ZYHUDNBSSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)N1C[C@H](C2CC2)[NH2+]CC[C@H]1C 82943511 573311478 /nfs/dbraw/zinc/31/14/78/573311478.db2.gz LRJXKPBSCWTSRE-ZYHUDNBSSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[N@H+]1CCC[NH2+]C2(CCCC2)C1 82941641 573311623 /nfs/dbraw/zinc/31/16/23/573311623.db2.gz KBEZNOJCTZYHLA-UHFFFAOYSA-N 2 1 182.311 1.614 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC2)[C@@H](C)CCN1 82942464 573311647 /nfs/dbraw/zinc/31/16/47/573311647.db2.gz UASGOTFTGGPNHP-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CCN1C[C@](C)(CC)[NH2+]CC[C@H]1C 82943590 573312581 /nfs/dbraw/zinc/31/25/81/573312581.db2.gz WSAOFNYXRCFXME-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H]1C[N@@H+](CC)CCC[NH2+]1 82941562 573312512 /nfs/dbraw/zinc/31/25/12/573312512.db2.gz TXFXIMBQKAGATJ-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[N@H+]1C[C@](C)(CC)NCC[C@H]1C 82943590 573312576 /nfs/dbraw/zinc/31/25/76/573312576.db2.gz WSAOFNYXRCFXME-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]CC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 238346467 573312601 /nfs/dbraw/zinc/31/26/01/573312601.db2.gz JSMPTJDEYFJNDI-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1C[C@@H](C2CC2)NCC[C@@H]1C 82943482 573312614 /nfs/dbraw/zinc/31/26/14/573312614.db2.gz HZDCSHZQWAZFIM-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CCN1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943482 573312620 /nfs/dbraw/zinc/31/26/20/573312620.db2.gz HZDCSHZQWAZFIM-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@H+]1CC(C)(C)NCC[C@H]1C 82942985 573315193 /nfs/dbraw/zinc/31/51/93/573315193.db2.gz CLCOMSXOINRFCB-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H](C)n1c[nH+]cc1[C@@H](C)C[NH3+] 308344008 573315232 /nfs/dbraw/zinc/31/52/32/573315232.db2.gz SWHBPTUGUYTBFQ-DTWKUNHWSA-N 2 1 181.283 1.916 10 0 ADAEMP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)C1CC1 132504536 573315481 /nfs/dbraw/zinc/31/54/81/573315481.db2.gz GDUTVCCDYBEFNJ-GXSJLCMTSA-N 2 1 182.311 1.374 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@]1(C)CCC[NH2+]1 258627604 573315631 /nfs/dbraw/zinc/31/56/31/573315631.db2.gz XJGBCUOSPAKMIJ-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@]1(C)CCC[NH2+]1 258627602 573315704 /nfs/dbraw/zinc/31/57/04/573315704.db2.gz XJGBCUOSPAKMIJ-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCCC[C@]1(C)CC[NH3+] 259084245 573315970 /nfs/dbraw/zinc/31/59/70/573315970.db2.gz CTXUQLRGAKGTBL-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@H](C)C1C[NH2+]C1 129487462 573316218 /nfs/dbraw/zinc/31/62/18/573316218.db2.gz LMNAXLFZJCZXCU-WDEREUQCSA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])C[C@@H]1C 642830732 573316257 /nfs/dbraw/zinc/31/62/57/573316257.db2.gz SYECLJJXQIWWBZ-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C1CC1 238350674 573316400 /nfs/dbraw/zinc/31/64/00/573316400.db2.gz SZQCAQDZEQNGBN-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@H]1CCC[C@@H]1[NH3+] 308552379 573316662 /nfs/dbraw/zinc/31/66/62/573316662.db2.gz YBOHRGUZGWULHR-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC1C[NH2+]C1 129482351 573316878 /nfs/dbraw/zinc/31/68/78/573316878.db2.gz HSZDDLUUKKWZEE-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H](F)CC[NH3+])C1 238351449 573317016 /nfs/dbraw/zinc/31/70/16/573317016.db2.gz OSPFZTPHIBYLEU-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H]([NH3+])CCC1=CC[N@@H+](C)CC1 258257148 573317028 /nfs/dbraw/zinc/31/70/28/573317028.db2.gz YCXUCJCUZRRMKM-VIFPVBQESA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CCCC[C@@]1(C)CC[NH3+] 259084247 573317266 /nfs/dbraw/zinc/31/72/66/573317266.db2.gz CTXUQLRGAKGTBL-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@@H](C)n1c[nH+]cc1[C@H](C)C[NH3+] 308344012 573317273 /nfs/dbraw/zinc/31/72/73/573317273.db2.gz SWHBPTUGUYTBFQ-RKDXNWHRSA-N 2 1 181.283 1.916 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1c1nc(C[NH3+])co1 258303532 573317313 /nfs/dbraw/zinc/31/73/13/573317313.db2.gz ZWDVJPWIWIQTQW-VIFPVBQESA-N 2 1 195.266 1.290 10 0 ADAEMP CC[N@H+]1CCC[C@H]1c1nc(C[NH3+])co1 258303532 573317319 /nfs/dbraw/zinc/31/73/19/573317319.db2.gz ZWDVJPWIWIQTQW-VIFPVBQESA-N 2 1 195.266 1.290 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CCCC[NH2+]C)C1 132544409 573317420 /nfs/dbraw/zinc/31/74/20/573317420.db2.gz ZYXQQXAIZIXHGZ-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[C@](C[NH3+])([NH2+]CC1CC1)C1CC1 308550803 573317673 /nfs/dbraw/zinc/31/76/73/573317673.db2.gz QBTBJQRERSCLJA-GFCCVEGCSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[C@H](C)n1c[nH+]cc1[C@@H](C)C[NH3+] 308344010 573317766 /nfs/dbraw/zinc/31/77/66/573317766.db2.gz SWHBPTUGUYTBFQ-IUCAKERBSA-N 2 1 181.283 1.916 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](C)C1C[NH2+]C1 129480220 573318791 /nfs/dbraw/zinc/31/87/91/573318791.db2.gz RWXYWRRKIPKJHO-SECBINFHSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[N@@H+]1CC=C(CCC[NH2+]C)CC1 258257249 573317967 /nfs/dbraw/zinc/31/79/67/573317967.db2.gz YFSWHRQACSZXIT-UHFFFAOYSA-N 2 1 182.311 1.638 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C[NH3+])C1(C)C 259415187 573318005 /nfs/dbraw/zinc/31/80/05/573318005.db2.gz NBGXWEJHADHJSL-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])C[C@@H]1C 642830733 573318200 /nfs/dbraw/zinc/31/82/00/573318200.db2.gz SYECLJJXQIWWBZ-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](CCC[NH2+]C)C1 132542504 573318564 /nfs/dbraw/zinc/31/85/64/573318564.db2.gz ADKVGFBOJPRJGX-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[N@@H+](CCC1C[NH2+]C1)C1CC1 129479080 573318627 /nfs/dbraw/zinc/31/86/27/573318627.db2.gz HOXBJSKEPKBOLE-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH+]1CC(C[NH3+])(C2CCCC2)C1 258489767 573318837 /nfs/dbraw/zinc/31/88/37/573318837.db2.gz AYHUFNLLAPBCMM-UHFFFAOYSA-N 2 1 168.284 1.067 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+](CC[NH2+]C2CC2)C1 132541805 573318962 /nfs/dbraw/zinc/31/89/62/573318962.db2.gz JAAGQSKUMCWWNA-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](CC[NH2+]C2CC2)C1 132541805 573318970 /nfs/dbraw/zinc/31/89/70/573318970.db2.gz JAAGQSKUMCWWNA-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC(C)(C)c1c[nH]c(CCC[NH3+])[nH+]1 308551646 573319023 /nfs/dbraw/zinc/31/90/23/573319023.db2.gz SECVVAVYVADULF-UHFFFAOYSA-N 2 1 195.310 1.989 10 0 ADAEMP CCC[N@H+](CC[NH3+])CC(C)(C)OC 308347455 573319111 /nfs/dbraw/zinc/31/91/11/573319111.db2.gz WHMASQDVAKQRPJ-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[N@@H+](CC[NH3+])CC(C)(C)OC 308347455 573319117 /nfs/dbraw/zinc/31/91/17/573319117.db2.gz WHMASQDVAKQRPJ-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@@H]1CCC[C@H]1[NH3+] 308552380 573319141 /nfs/dbraw/zinc/31/91/41/573319141.db2.gz YBOHRGUZGWULHR-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]CC/C=C\C[C@@H]1CC[N@@H+](C)C1 258257503 573320691 /nfs/dbraw/zinc/32/06/91/573320691.db2.gz QYYYZMKRVLROAW-DLRQAJBASA-N 2 1 182.311 1.494 10 0 ADAEMP CCC[C@@](C[NH3+])([NH2+]CC1CC1)C1CC1 308550804 573319970 /nfs/dbraw/zinc/31/99/70/573319970.db2.gz QBTBJQRERSCLJA-LBPRGKRZSA-N 2 1 196.338 1.894 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@@H]1CCC[C@@H]1[NH3+] 308552381 573320060 /nfs/dbraw/zinc/32/00/60/573320060.db2.gz YBOHRGUZGWULHR-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1c1nc(C[NH3+])co1 258303530 573320142 /nfs/dbraw/zinc/32/01/42/573320142.db2.gz ZWDVJPWIWIQTQW-SECBINFHSA-N 2 1 195.266 1.290 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1c1nc(C[NH3+])co1 258303530 573320146 /nfs/dbraw/zinc/32/01/46/573320146.db2.gz ZWDVJPWIWIQTQW-SECBINFHSA-N 2 1 195.266 1.290 10 0 ADAEMP C[NH2+]CC/C=C\C[C@H]1CC[N@@H+](C)C1 258257500 573320261 /nfs/dbraw/zinc/32/02/61/573320261.db2.gz QYYYZMKRVLROAW-BYCRGOAPSA-N 2 1 182.311 1.494 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@@H]2CC[C@H](C)C2)CCC1 308548731 573320946 /nfs/dbraw/zinc/32/09/46/573320946.db2.gz WTGHRYOUBWAVIG-WDEREUQCSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC[C@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 132540719 573320969 /nfs/dbraw/zinc/32/09/69/573320969.db2.gz GRGSHVCTMBINMW-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 132540719 573320972 /nfs/dbraw/zinc/32/09/72/573320972.db2.gz GRGSHVCTMBINMW-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H]1C[N@H+](C(C)C)CCC[NH2+]1 82953747 573323594 /nfs/dbraw/zinc/32/35/94/573323594.db2.gz SDJXBRQEKWMDCM-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H]1CC[N@@H+](CCC[NH2+]C)C1 132542681 573321231 /nfs/dbraw/zinc/32/12/31/573321231.db2.gz ADKVGFBOJPRJGX-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CC(C)[C@H]1CC[N@H+](CC[NH2+]C2CC2)C1 132542010 573321309 /nfs/dbraw/zinc/32/13/09/573321309.db2.gz JAAGQSKUMCWWNA-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](CC[NH2+]C2CC2)C1 132542010 573321312 /nfs/dbraw/zinc/32/13/12/573321312.db2.gz JAAGQSKUMCWWNA-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 132540512 573321391 /nfs/dbraw/zinc/32/13/91/573321391.db2.gz GRGSHVCTMBINMW-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 132540512 573321403 /nfs/dbraw/zinc/32/14/03/573321403.db2.gz GRGSHVCTMBINMW-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)CC[N@H+]1CC[NH2+]CC2(CC2)C1 106873864 573321617 /nfs/dbraw/zinc/32/16/17/573321617.db2.gz GJEZFKCOWVRQKL-UHFFFAOYSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC(CC)[N@@H+](C)CCC1C[NH2+]C1 129505066 573321673 /nfs/dbraw/zinc/32/16/73/573321673.db2.gz JYNGBNWEGFEXTC-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@H]2CC[C@@H](C)C2)CCC1 308548727 573321873 /nfs/dbraw/zinc/32/18/73/573321873.db2.gz WTGHRYOUBWAVIG-MNOVXSKESA-N 2 1 196.338 1.907 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@]2(C)[NH2+]C[C@@H](C)O2)C1 258492201 573322002 /nfs/dbraw/zinc/32/20/02/573322002.db2.gz LSBPEBSISAVQTH-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@]2(C)[NH2+]C[C@@H](C)O2)C1 258492201 573322005 /nfs/dbraw/zinc/32/20/05/573322005.db2.gz LSBPEBSISAVQTH-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@H]1CCC[C@H]1[NH3+] 308552382 573322057 /nfs/dbraw/zinc/32/20/57/573322057.db2.gz YBOHRGUZGWULHR-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@@H]2CC[C@@H](C)C2)CCC1 308548726 573323307 /nfs/dbraw/zinc/32/33/07/573323307.db2.gz WTGHRYOUBWAVIG-GHMZBOCLSA-N 2 1 196.338 1.907 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@]2(C)[NH2+]C[C@H](C)O2)C1 258492191 573323351 /nfs/dbraw/zinc/32/33/51/573323351.db2.gz LSBPEBSISAVQTH-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@]2(C)[NH2+]C[C@H](C)O2)C1 258492191 573323360 /nfs/dbraw/zinc/32/33/60/573323360.db2.gz LSBPEBSISAVQTH-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1(C)C([N@@H+]2CC[C@H]([NH3+])C2)C1(C)C 86240396 573327641 /nfs/dbraw/zinc/32/76/41/573327641.db2.gz KZSZZZBLBWAPPN-QMMMGPOBSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)C([N@H+]2CC[C@H]([NH3+])C2)C1(C)C 86240396 573327646 /nfs/dbraw/zinc/32/76/46/573327646.db2.gz KZSZZZBLBWAPPN-QMMMGPOBSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)C(C[N@@H+]2CC[C@@H]([NH3+])C2)C1(C)C 86240369 573327202 /nfs/dbraw/zinc/32/72/02/573327202.db2.gz ICBKIZAYGIWFJZ-SECBINFHSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1(C)C(C[N@H+]2CC[C@@H]([NH3+])C2)C1(C)C 86240369 573327206 /nfs/dbraw/zinc/32/72/06/573327206.db2.gz ICBKIZAYGIWFJZ-SECBINFHSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1(C)C([NH2+]CC2([NH3+])CC2)C1(C)C 86241141 573327346 /nfs/dbraw/zinc/32/73/46/573327346.db2.gz YZACZOFYBARGPN-UHFFFAOYSA-N 2 1 182.311 1.502 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]C[C@H](C)C1CC1 132671385 573330859 /nfs/dbraw/zinc/33/08/59/573330859.db2.gz SCLXERUZRWAGMY-GXSJLCMTSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[C@@](C)(C[NH3+])[NH2+]C[C@H](C)C1CC1 132671203 573330631 /nfs/dbraw/zinc/33/06/31/573330631.db2.gz SCLXERUZRWAGMY-ONGXEEELSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C[C@@H](C)C1CC1 132682115 573332397 /nfs/dbraw/zinc/33/23/97/573332397.db2.gz YUJUWCHBIGNHLT-MWLCHTKSSA-N 2 1 184.327 1.605 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C[C@H](C)C1CC1 132682692 573332675 /nfs/dbraw/zinc/33/26/75/573332675.db2.gz YUJUWCHBIGNHLT-ONGXEEELSA-N 2 1 184.327 1.605 10 0 ADAEMP C/C=C\C[N@H+](CC)C1CC[NH2+]CC1 215164858 573332707 /nfs/dbraw/zinc/33/27/07/573332707.db2.gz AWPRAULTXWYSKI-HYXAFXHYSA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH2+]C[C@@H](C)C1CC1 132650713 573332994 /nfs/dbraw/zinc/33/29/94/573332994.db2.gz NFGHKOFUVZPJJZ-PWSUYJOCSA-N 2 1 198.354 1.996 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]C[C@@H](C)C1CC1 132682894 573333220 /nfs/dbraw/zinc/33/32/20/573333220.db2.gz BUGSLANLEPDSDP-SCZZXKLOSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCC1CCC(C[NH3+])([NH2+]C)CC1 50269730 573335126 /nfs/dbraw/zinc/33/51/26/573335126.db2.gz HUGCWHZFKCQRNH-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@H](C)c1ccccc1 50270016 573335246 /nfs/dbraw/zinc/33/52/46/573335246.db2.gz ASHWFKKQNZEWTN-MWLCHTKSSA-N 2 1 178.279 1.337 10 0 ADAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[NH2+]C 50269758 573335312 /nfs/dbraw/zinc/33/53/12/573335312.db2.gz GEHGALPOPOQSAD-VHSXEESVSA-N 2 1 172.316 1.750 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C[C@H](C)c1ccccc1 50270036 573335375 /nfs/dbraw/zinc/33/53/75/573335375.db2.gz ZYYYTMVIWNYYIX-JQWIXIFHSA-N 2 1 192.306 1.727 10 0 ADAEMP CC1(C)CC[C@@H]1[NH2+]CC[NH2+]CC1CC1 308560208 573335573 /nfs/dbraw/zinc/33/55/73/573335573.db2.gz WUDNJWHECQWUKT-NSHDSACASA-N 2 1 196.338 1.764 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])[C@@H](C)c1ccccc1 50270017 573335708 /nfs/dbraw/zinc/33/57/08/573335708.db2.gz ASHWFKKQNZEWTN-ONGXEEELSA-N 2 1 178.279 1.337 10 0 ADAEMP C[C@@H]1CC[C@@H]2[C@H](C[C@@H](C[NH3+])C[N@H+]2C)C1 251942443 573335737 /nfs/dbraw/zinc/33/57/37/573335737.db2.gz WCMYOLPOKDLTNZ-NOOOWODRSA-N 2 1 196.338 1.702 10 0 ADAEMP CCCCC[C@H](C[NH3+])[NH2+]CC 50270098 573335771 /nfs/dbraw/zinc/33/57/71/573335771.db2.gz SXBLEOQLFLTJSF-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]CC(C)(C)C1 259422025 573335931 /nfs/dbraw/zinc/33/59/31/573335931.db2.gz NLDJGQWCMOBIKK-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H]2[C@@H]([NH3+])CCC[C@@H]21 222668242 573336028 /nfs/dbraw/zinc/33/60/28/573336028.db2.gz MFYUOWOOTSDNOP-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[NH2+][C@@](C)(C[NH3+])CC(C)C 50270090 573336059 /nfs/dbraw/zinc/33/60/59/573336059.db2.gz WVOZFYNMWIOCPU-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C[C@H](C)c1ccccc1 50270038 573336528 /nfs/dbraw/zinc/33/65/28/573336528.db2.gz ZYYYTMVIWNYYIX-CMPLNLGQSA-N 2 1 192.306 1.727 10 0 ADAEMP CCCCCC[C@](C)(C[NH3+])[NH2+]C 50269768 573338432 /nfs/dbraw/zinc/33/84/32/573338432.db2.gz VCRBLQJQHIKXQJ-SNVBAGLBSA-N 2 1 172.316 1.894 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C[C@@H](C)c1ccccc1 50270037 573338479 /nfs/dbraw/zinc/33/84/79/573338479.db2.gz ZYYYTMVIWNYYIX-PWSUYJOCSA-N 2 1 192.306 1.727 10 0 ADAEMP CCCCCC[C@@](C)(C[NH3+])[NH2+]C 50269767 573338588 /nfs/dbraw/zinc/33/85/88/573338588.db2.gz VCRBLQJQHIKXQJ-JTQLQIEISA-N 2 1 172.316 1.894 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@H](C)C1C[NH2+]C1 129557804 573339414 /nfs/dbraw/zinc/33/94/14/573339414.db2.gz COHQXKIZKPOZBA-LLVKDONJSA-N 2 1 198.354 1.820 10 0 ADAEMP CCCC(C[NH3+])(CCC)[NH2+]CC 50270065 573339631 /nfs/dbraw/zinc/33/96/31/573339631.db2.gz DBLZKJXGXFZIMM-UHFFFAOYSA-N 2 1 172.316 1.894 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@@H](C)c1ccccc1 50270015 573339731 /nfs/dbraw/zinc/33/97/31/573339731.db2.gz ASHWFKKQNZEWTN-GXSJLCMTSA-N 2 1 178.279 1.337 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]CC1CCCC1 393626245 573339743 /nfs/dbraw/zinc/33/97/43/573339743.db2.gz XDEZTRBNMFZAGT-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH2+]C 50269755 573339829 /nfs/dbraw/zinc/33/98/29/573339829.db2.gz GEHGALPOPOQSAD-ZJUUUORDSA-N 2 1 172.316 1.750 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C[C@@H](C)c1ccccc1 50270039 573340068 /nfs/dbraw/zinc/34/00/68/573340068.db2.gz ZYYYTMVIWNYYIX-ZYHUDNBSSA-N 2 1 192.306 1.727 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[NH2+]CC 50270097 573340129 /nfs/dbraw/zinc/34/01/29/573340129.db2.gz SXBLEOQLFLTJSF-VIFPVBQESA-N 2 1 158.289 1.504 10 0 ADAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[NH2+]C 50269757 573340266 /nfs/dbraw/zinc/34/02/66/573340266.db2.gz GEHGALPOPOQSAD-NXEZZACHSA-N 2 1 172.316 1.750 10 0 ADAEMP C/C=C/CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 129589542 573340467 /nfs/dbraw/zinc/34/04/67/573340467.db2.gz AMWXACHVRVCXRK-RUULKOMLSA-N 2 1 196.338 1.882 10 0 ADAEMP CC(C)(C)[N@@H+]1CC=C(C[NH3+])CC1 259091654 573341424 /nfs/dbraw/zinc/34/14/24/573341424.db2.gz DTLFTHXEQSXVFO-UHFFFAOYSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])[C@H](C)c1ccccc1 50270351 573340773 /nfs/dbraw/zinc/34/07/73/573340773.db2.gz YFVSAYBPVMSRLB-PWSUYJOCSA-N 2 1 192.306 1.727 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])C(CC)CC 50270568 573340786 /nfs/dbraw/zinc/34/07/86/573340786.db2.gz AFPRMYRZURHNCB-JTQLQIEISA-N 2 1 172.316 1.750 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@H](C)c1ccccc1 50270352 573340842 /nfs/dbraw/zinc/34/08/42/573340842.db2.gz YFVSAYBPVMSRLB-ZYHUDNBSSA-N 2 1 192.306 1.727 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[NH2+]C(C)C 50270981 573340863 /nfs/dbraw/zinc/34/08/63/573340863.db2.gz UXGWEQFUBUJKJF-BDAKNGLRSA-N 2 1 158.289 1.358 10 0 ADAEMP CCCC[C@H](C[NH3+])[NH2+]C1CC1 50271365 573340884 /nfs/dbraw/zinc/34/08/84/573340884.db2.gz PIPNCKOYNWHBIR-SECBINFHSA-N 2 1 156.273 1.256 10 0 ADAEMP CNc1[nH+]cccc1C1CC[NH2+]CC1 238356097 573340896 /nfs/dbraw/zinc/34/08/96/573340896.db2.gz SQMUHFJXUNCJTM-UHFFFAOYSA-N 2 1 191.278 1.590 10 0 ADAEMP CCC[NH2+]C1(C[NH3+])CCC(C)CC1 50270421 573340916 /nfs/dbraw/zinc/34/09/16/573340916.db2.gz NDCKREZAZAJWTI-UHFFFAOYSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@@H](C)[C@H](C[NH3+])[NH2+]C1CC1 50271317 573341015 /nfs/dbraw/zinc/34/10/15/573341015.db2.gz YRFCSKJBUCULSS-APPZFPTMSA-N 2 1 156.273 1.112 10 0 ADAEMP [NH3+]C1CC(c2[nH]cc(C3CCC3)[nH+]2)C1 259089491 573341031 /nfs/dbraw/zinc/34/10/31/573341031.db2.gz MPHFJYIVBQOYDF-UHFFFAOYSA-N 2 1 191.278 1.882 10 0 ADAEMP CC(C)[NH2+][C@@H](C[NH3+])Cc1ccccc1 50270910 573341159 /nfs/dbraw/zinc/34/11/59/573341159.db2.gz YUBUUUOURIMRCD-GFCCVEGCSA-N 2 1 192.306 1.554 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])C(CC)CC 50270232 573341305 /nfs/dbraw/zinc/34/13/05/573341305.db2.gz DKEOXCZSMVZDID-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[C@@H](C)[C@@H](C[NH3+])[NH2+]C(C)C 50271035 573342793 /nfs/dbraw/zinc/34/27/93/573342793.db2.gz JWARCFWPOSWGAF-NXEZZACHSA-N 2 1 172.316 1.748 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@H](C)CC 50270645 573342901 /nfs/dbraw/zinc/34/29/01/573342901.db2.gz GJUBTSHQHKSOPD-BDAKNGLRSA-N 2 1 158.289 1.359 10 0 ADAEMP C/C=C/CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 129589732 573343052 /nfs/dbraw/zinc/34/30/52/573343052.db2.gz AMWXACHVRVCXRK-XMXMHJJKSA-N 2 1 196.338 1.882 10 0 ADAEMP CCC(CC)[C@@H](C[NH3+])[NH2+]C1CC1 50271239 573343083 /nfs/dbraw/zinc/34/30/83/573343083.db2.gz COFFQFLGMUYAQX-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP CCC[NH2+][C@@](C)(C[NH3+])CCC 50270604 573343138 /nfs/dbraw/zinc/34/31/38/573343138.db2.gz KXBDUXQMESIAOL-SECBINFHSA-N 2 1 158.289 1.504 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])Cc1ccccc1 50270238 573343259 /nfs/dbraw/zinc/34/32/59/573343259.db2.gz QITPYWCHGKOEAC-NSHDSACASA-N 2 1 178.279 1.166 10 0 ADAEMP CC(C)CC[C@@](C)(C[NH3+])[NH2+]C1CC1 50271271 573344120 /nfs/dbraw/zinc/34/41/20/573344120.db2.gz CGYVOXZAKQHGQV-NSHDSACASA-N 2 1 184.327 1.892 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@H](C)CCC 50270702 573343852 /nfs/dbraw/zinc/34/38/52/573343852.db2.gz UCDPBKVLZJICRS-ZJUUUORDSA-N 2 1 172.316 1.750 10 0 ADAEMP C[C@@H]1C[C@@H]([C@@H]2CCC[N@H+]2C)C[NH2+]1 258290245 573343963 /nfs/dbraw/zinc/34/39/63/573343963.db2.gz TXEZCYQNAHXOJN-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C[C@@H]1C 308557852 573344007 /nfs/dbraw/zinc/34/40/07/573344007.db2.gz UGHOSVNCHMXDKG-SRVKXCTJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@]2(C)CCC[NH2+]2)C1 258306108 573344011 /nfs/dbraw/zinc/34/40/11/573344011.db2.gz VCDSSRSLUNGXSM-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC(CC)[C@H](C[NH3+])[NH2+]C1CC1 50271240 573344101 /nfs/dbraw/zinc/34/41/01/573344101.db2.gz COFFQFLGMUYAQX-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1C[C@@H]([C@H]2CCC[N@H+]2C)C[NH2+]1 258290252 573344184 /nfs/dbraw/zinc/34/41/84/573344184.db2.gz TXEZCYQNAHXOJN-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@]1([C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258288131 573344298 /nfs/dbraw/zinc/34/42/98/573344298.db2.gz SYPCAGJOHSOFPJ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC(CC)(C[NH3+])[NH2+]C(C)C 50270743 573344372 /nfs/dbraw/zinc/34/43/72/573344372.db2.gz XERAKCJWUVYMAH-UHFFFAOYSA-N 2 1 158.289 1.502 10 0 ADAEMP C[N@@H+](CCC1CC1)CC[C@@H]1CCC[NH2+]1 308556323 573344420 /nfs/dbraw/zinc/34/44/20/573344420.db2.gz ZNVZQQOIPZXRRP-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CC/C=C\[C@@H]1CC[N@@H+](C)C1 258288321 573344444 /nfs/dbraw/zinc/34/44/44/573344444.db2.gz TVMXMKPSTXJYIF-TZGMSPROSA-N 2 1 168.284 1.104 10 0 ADAEMP [NH3+]C[C@H](Cc1ccccc1)[NH2+]C1CC1 50271245 573345109 /nfs/dbraw/zinc/34/51/09/573345109.db2.gz BIYJAWZVLLUXBZ-LBPRGKRZSA-N 2 1 190.290 1.308 10 0 ADAEMP C[NH2+]CC[C@@H]1Cc2ccccc2C[NH2+]1 258289750 573345124 /nfs/dbraw/zinc/34/51/24/573345124.db2.gz VRDYZRIOEDUYPK-GFCCVEGCSA-N 2 1 190.290 1.310 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CC1 50271227 573345125 /nfs/dbraw/zinc/34/51/25/573345125.db2.gz GZTZMNNFWFKNFW-VIFPVBQESA-N 2 1 156.273 1.112 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+]C1CC1 50271275 573345189 /nfs/dbraw/zinc/34/51/89/573345189.db2.gz DVYGJKRQNFWQFB-VIFPVBQESA-N 2 1 156.273 1.256 10 0 ADAEMP CCCCC[C@H](C[NH3+])[NH2+]C1CC1 50271103 573345225 /nfs/dbraw/zinc/34/52/25/573345225.db2.gz POZSPCUSVAQVRZ-SNVBAGLBSA-N 2 1 170.300 1.646 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])[C@@H](C)c1ccccc1 50270349 573345339 /nfs/dbraw/zinc/34/53/39/573345339.db2.gz YFVSAYBPVMSRLB-JQWIXIFHSA-N 2 1 192.306 1.727 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CC1)C1CCCCC1 50271241 573345384 /nfs/dbraw/zinc/34/53/84/573345384.db2.gz SAAMMSHGWWQZLS-LLVKDONJSA-N 2 1 182.311 1.646 10 0 ADAEMP CC[C@]1([C@H]2CCC[N@H+]2C)CCC[NH2+]1 258288123 573345389 /nfs/dbraw/zinc/34/53/89/573345389.db2.gz SYPCAGJOHSOFPJ-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)C1 50270396 573345495 /nfs/dbraw/zinc/34/54/95/573345495.db2.gz PZLSYYDOLFNWCG-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1CCCC1(C)C 86273128 573345581 /nfs/dbraw/zinc/34/55/81/573345581.db2.gz DVQMTICMMZKFQP-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[NH2+]C(C)C 50270767 573345592 /nfs/dbraw/zinc/34/55/92/573345592.db2.gz WUGRFHURUQFMDE-JTQLQIEISA-N 2 1 172.316 1.892 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])C1CCCC1 50272448 573345622 /nfs/dbraw/zinc/34/56/22/573345622.db2.gz PTFPWUUUHPPGTO-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[C@@H](C)[C@H](C[NH3+])[NH2+]C(C)C 50271037 573345845 /nfs/dbraw/zinc/34/58/45/573345845.db2.gz JWARCFWPOSWGAF-ZJUUUORDSA-N 2 1 172.316 1.748 10 0 ADAEMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+]C1CC1 50271246 573345750 /nfs/dbraw/zinc/34/57/50/573345750.db2.gz BIYJAWZVLLUXBZ-GFCCVEGCSA-N 2 1 190.290 1.308 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C/C=C\C[NH3+] 258290473 573345790 /nfs/dbraw/zinc/34/57/90/573345790.db2.gz TYZFSGHBRYPCJP-GQPNGRKGSA-N 2 1 168.284 1.376 10 0 ADAEMP CCC(CC)[C@@H](C[NH3+])[NH2+]C(C)C 50270903 573345791 /nfs/dbraw/zinc/34/57/91/573345791.db2.gz JXDONGBQZLLDPW-SNVBAGLBSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@]1([C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258288129 573346843 /nfs/dbraw/zinc/34/68/43/573346843.db2.gz SYPCAGJOHSOFPJ-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C1CCCC1 86272570 573346433 /nfs/dbraw/zinc/34/64/33/573346433.db2.gz XTOYXUCNYRHXHL-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)[C@@H](C[NH3+])[NH2+]C(C)C 50270979 573346500 /nfs/dbraw/zinc/34/65/00/573346500.db2.gz UXGWEQFUBUJKJF-RKDXNWHRSA-N 2 1 158.289 1.358 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)C1CC1 86272559 573346621 /nfs/dbraw/zinc/34/66/21/573346621.db2.gz HSFODVDSFZSKAO-BDAKNGLRSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H]1C 86272499 573346648 /nfs/dbraw/zinc/34/66/48/573346648.db2.gz VZTXTRATDUVNKQ-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)C1CCCC1 86272568 573346656 /nfs/dbraw/zinc/34/66/56/573346656.db2.gz XTOYXUCNYRHXHL-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CC[NH2+][C@H]1C 86272502 573346867 /nfs/dbraw/zinc/34/68/67/573346867.db2.gz VZTXTRATDUVNKQ-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP CCCC[C@@H](C[NH3+])[NH2+]C1CC1 50271364 573346693 /nfs/dbraw/zinc/34/66/93/573346693.db2.gz PIPNCKOYNWHBIR-VIFPVBQESA-N 2 1 156.273 1.256 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C[C@H]1C 308557853 573346699 /nfs/dbraw/zinc/34/66/99/573346699.db2.gz UGHOSVNCHMXDKG-WOPDTQHZSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCCC[C@H](C[NH3+])[NH2+]C(C)C 50270768 573346732 /nfs/dbraw/zinc/34/67/32/573346732.db2.gz WUGRFHURUQFMDE-SNVBAGLBSA-N 2 1 172.316 1.892 10 0 ADAEMP CC(C)c1c[nH]c(C[C@H]2CC[NH2+]C2)[nH+]1 86276584 573346756 /nfs/dbraw/zinc/34/67/56/573346756.db2.gz QWKZNCXWQHUJBZ-SECBINFHSA-N 2 1 193.294 1.685 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])Cc1ccccc1 50270239 573346790 /nfs/dbraw/zinc/34/67/90/573346790.db2.gz QITPYWCHGKOEAC-LLVKDONJSA-N 2 1 178.279 1.166 10 0 ADAEMP CC(C)c1c[nH+]cn1[C@H](C[NH3+])C1CC1 132901720 573346805 /nfs/dbraw/zinc/34/68/05/573346805.db2.gz QNSOOOKCUBKESI-SNVBAGLBSA-N 2 1 193.294 1.916 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)C1CCCC1 86272567 573349078 /nfs/dbraw/zinc/34/90/78/573349078.db2.gz XTOYXUCNYRHXHL-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)C1CC1 86272560 573348939 /nfs/dbraw/zinc/34/89/39/573348939.db2.gz HSFODVDSFZSKAO-IUCAKERBSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C1CC1 86272561 573349187 /nfs/dbraw/zinc/34/91/87/573349187.db2.gz HSFODVDSFZSKAO-RKDXNWHRSA-N 2 1 168.284 1.079 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@H+]1C[C@H]2CCC[C@H]2C1 126098195 573349238 /nfs/dbraw/zinc/34/92/38/573349238.db2.gz FAFQDTUATKXVSK-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1c[nH+]cn1[C@@](C)(C[NH3+])C(C)C 132887366 573349245 /nfs/dbraw/zinc/34/92/45/573349245.db2.gz KHKCQCQJIMKKSB-NSHDSACASA-N 2 1 195.310 1.775 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@@H+]1C[C@H]2CCC[C@H]2C1 126098195 573349246 /nfs/dbraw/zinc/34/92/46/573349246.db2.gz FAFQDTUATKXVSK-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+][C@@H]2C)C[C@@H]1C 86273315 573349483 /nfs/dbraw/zinc/34/94/83/573349483.db2.gz PFSKMUPUQXCZIZ-KXNHARMFSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@H](C[NH3+])n1c[nH+]cc1C(C)C 132902124 573349596 /nfs/dbraw/zinc/34/95/96/573349596.db2.gz XYMRADOVFBJOLL-SECBINFHSA-N 2 1 181.283 1.916 10 0 ADAEMP CC(C)c1c[nH+]cn1CC[C@H](C)[NH3+] 132896895 573349705 /nfs/dbraw/zinc/34/97/05/573349705.db2.gz FFXFAOISLGCTPQ-VIFPVBQESA-N 2 1 181.283 1.744 10 0 ADAEMP CCc1c[nH+]cn1[C@](C)(C[NH3+])C(C)C 132887572 573349751 /nfs/dbraw/zinc/34/97/51/573349751.db2.gz KHKCQCQJIMKKSB-LLVKDONJSA-N 2 1 195.310 1.775 10 0 ADAEMP CC(C)c1c[nH+]cn1[C@@H](C[NH3+])C1CC1 132901529 573349780 /nfs/dbraw/zinc/34/97/80/573349780.db2.gz QNSOOOKCUBKESI-JTQLQIEISA-N 2 1 193.294 1.916 10 0 ADAEMP [NH3+][C@@]1(C[NH2+]C2CCCCC2)CCOC1 82986507 573349801 /nfs/dbraw/zinc/34/98/01/573349801.db2.gz LZGROTDJXAZPCM-LLVKDONJSA-N 2 1 198.310 1.027 10 0 ADAEMP [NH3+][C@]1(C[NH2+]C2CCCCC2)CCOC1 82986508 573349890 /nfs/dbraw/zinc/34/98/90/573349890.db2.gz LZGROTDJXAZPCM-NSHDSACASA-N 2 1 198.310 1.027 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C1CC1 86272562 573349938 /nfs/dbraw/zinc/34/99/38/573349938.db2.gz HSFODVDSFZSKAO-DTWKUNHWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H]2C)C1 86272779 573349961 /nfs/dbraw/zinc/34/99/61/573349961.db2.gz ZHTQLWPGHBJLIO-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+]C1CC=CC1 132921755 573350013 /nfs/dbraw/zinc/35/00/13/573350013.db2.gz ZZKRKSHMVABXJF-UHFFFAOYSA-N 2 1 191.278 1.500 10 0 ADAEMP CC1([NH2+]C[C@@]2([NH3+])CCOC2)CCCC1 82986868 573350131 /nfs/dbraw/zinc/35/01/31/573350131.db2.gz CDYPORKZZBUGQH-NSHDSACASA-N 2 1 198.310 1.027 10 0 ADAEMP C[C@]1([NH3+])CC[N@H+]2CCCC[C@H]2C1 258635265 573350227 /nfs/dbraw/zinc/35/02/27/573350227.db2.gz YFTAKYKZOOFODC-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H]1C 86272500 573350250 /nfs/dbraw/zinc/35/02/50/573350250.db2.gz VZTXTRATDUVNKQ-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238365913 573350254 /nfs/dbraw/zinc/35/02/54/573350254.db2.gz PTCGYHQIMQCUOG-PDEGPIFNSA-N 2 1 194.322 1.739 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@H+]1CCCC1(C)C 86273127 573350446 /nfs/dbraw/zinc/35/04/46/573350446.db2.gz DVQMTICMMZKFQP-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]([NH3+])Cn1c[nH+]cc1C(C)C 132899383 573350384 /nfs/dbraw/zinc/35/03/84/573350384.db2.gz NTZSXIGGMIZWDI-SECBINFHSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@H+]1CCCC1(C)C 86273129 573350397 /nfs/dbraw/zinc/35/03/97/573350397.db2.gz DVQMTICMMZKFQP-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1c[nH+]cn1[C@@](C)(C[NH3+])C1CC1 132885209 573350433 /nfs/dbraw/zinc/35/04/33/573350433.db2.gz RZRRMMFTBCDAPY-NSHDSACASA-N 2 1 193.294 1.529 10 0 ADAEMP CC(C)c1c[nH+]cn1CC[C@@H](C)[NH3+] 132896684 573350869 /nfs/dbraw/zinc/35/08/69/573350869.db2.gz FFXFAOISLGCTPQ-SECBINFHSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H](C1CC1)[NH+](C)C 308558706 573350872 /nfs/dbraw/zinc/35/08/72/573350872.db2.gz CUOWONBNRHUZLM-YUSALJHKSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@@H](C[NH3+])n1c[nH+]cc1C(C)C 132901924 573350942 /nfs/dbraw/zinc/35/09/42/573350942.db2.gz XYMRADOVFBJOLL-VIFPVBQESA-N 2 1 181.283 1.916 10 0 ADAEMP C[C@@]1([NH3+])CC[N@H+]2CCCC[C@@H]2C1 258635254 573350981 /nfs/dbraw/zinc/35/09/81/573350981.db2.gz YFTAKYKZOOFODC-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]cc1C(C)C 132899179 573351006 /nfs/dbraw/zinc/35/10/06/573351006.db2.gz NTZSXIGGMIZWDI-VIFPVBQESA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238365933 573351018 /nfs/dbraw/zinc/35/10/18/573351018.db2.gz PTCGYHQIMQCUOG-IXLVHKGHSA-N 2 1 194.322 1.739 10 0 ADAEMP CC(C)(C)[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258635795 573351042 /nfs/dbraw/zinc/35/10/42/573351042.db2.gz DPPLRLGAAJZPFY-QMMMGPOBSA-N 2 1 170.300 1.515 10 0 ADAEMP CC(C)(C)[NH2+][C@H]1C[NH2+]C(C)(C)C1 258635791 573351126 /nfs/dbraw/zinc/35/11/26/573351126.db2.gz DPPLRLGAAJZPFY-MRVPVSSYSA-N 2 1 170.300 1.515 10 0 ADAEMP CC(C)c1c[nH+]cn1C[C@@H]([NH3+])C1CC1 132906478 573351184 /nfs/dbraw/zinc/35/11/84/573351184.db2.gz CUNMDODQKCVCTC-SNVBAGLBSA-N 2 1 193.294 1.744 10 0 ADAEMP CC(C)c1c[nH+]cn1C[C@H]([NH3+])C1CC1 132906274 573351234 /nfs/dbraw/zinc/35/12/34/573351234.db2.gz CUNMDODQKCVCTC-JTQLQIEISA-N 2 1 193.294 1.744 10 0 ADAEMP CCC[C@H](C[NH3+])[NH+]1C[C@H]2CCC[C@@H]2C1 126098879 573351267 /nfs/dbraw/zinc/35/12/67/573351267.db2.gz FAFQDTUATKXVSK-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@]1([NH3+])CC[N@H+]2CCCC[C@H]2C1 258635274 573351304 /nfs/dbraw/zinc/35/13/04/573351304.db2.gz YFTAKYKZOOFODC-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP CCc1c[nH+]cn1[C@](C)(C[NH3+])C1CC1 132885416 573351403 /nfs/dbraw/zinc/35/14/03/573351403.db2.gz RZRRMMFTBCDAPY-LLVKDONJSA-N 2 1 193.294 1.529 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 86303223 573351583 /nfs/dbraw/zinc/35/15/83/573351583.db2.gz JCNINDIQVQFLHF-MXWKQRLJSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+]C[C@H](C1CC1)[NH+](C)C 308558703 573352573 /nfs/dbraw/zinc/35/25/73/573352573.db2.gz CUOWONBNRHUZLM-ADEWGFFLSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+]1C[C@H]2CCC[C@H]2C1 126098444 573352715 /nfs/dbraw/zinc/35/27/15/573352715.db2.gz FAFQDTUATKXVSK-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+]1C[C@H]2CCC[C@H]2C1 126098444 573352718 /nfs/dbraw/zinc/35/27/18/573352718.db2.gz FAFQDTUATKXVSK-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1c[nH+]cn1[C@@H](C[NH3+])CC(C)C 132848368 573352868 /nfs/dbraw/zinc/35/28/68/573352868.db2.gz BUBCOEDTXITVSN-SNVBAGLBSA-N 2 1 181.283 1.737 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@H](C)C1C[NH2+]C1 129706951 573352945 /nfs/dbraw/zinc/35/29/45/573352945.db2.gz KGHHAYJLNNDKET-JTQLQIEISA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](C1CC1)[NH+](C)C 308558705 573353024 /nfs/dbraw/zinc/35/30/24/573353024.db2.gz CUOWONBNRHUZLM-USWWRNFRSA-N 2 1 196.338 1.572 10 0 ADAEMP Cc1c[nH+]cn1CC[NH2+]C(C)C 132843295 573353173 /nfs/dbraw/zinc/35/31/73/573353173.db2.gz RMCPZXNXYKYGHJ-UHFFFAOYSA-N 2 1 167.256 1.190 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 86303224 573353771 /nfs/dbraw/zinc/35/37/71/573353771.db2.gz JCNINDIQVQFLHF-AXFHLTTASA-N 2 1 184.327 1.700 10 0 ADAEMP CC[NH2+]CCn1c[nH+]cc1CC 132870937 573356921 /nfs/dbraw/zinc/35/69/21/573356921.db2.gz TUZDRXKIWHYDJQ-UHFFFAOYSA-N 2 1 167.256 1.055 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)[C@@H]1C 86302902 573354801 /nfs/dbraw/zinc/35/48/01/573354801.db2.gz DIYGWMGIQMAXRG-IVZWLZJFSA-N 2 1 170.300 1.325 10 0 ADAEMP CCC[N@@H+](CC)C[C@H](C)C1C[NH2+]C1 129477654 573354249 /nfs/dbraw/zinc/35/42/49/573354249.db2.gz RVOMYAUSXUOKOF-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP CCc1c[nH+]cn1[C@H](C[NH3+])C1CC1 132879302 573354309 /nfs/dbraw/zinc/35/43/09/573354309.db2.gz LYVLECVHLVGQHE-SNVBAGLBSA-N 2 1 179.267 1.355 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@H](C)[C@@H]1C 86303161 573354339 /nfs/dbraw/zinc/35/43/39/573354339.db2.gz YWTWRHLORXVBJJ-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[C@H]1c1[nH+]ccn1C 83003289 573354422 /nfs/dbraw/zinc/35/44/22/573354422.db2.gz YFCJFZSYPCDGSX-YIZRAAEISA-N 2 1 179.267 1.261 10 0 ADAEMP CC(C)[N@@H+]1CC=C(CC[NH3+])CC1 258010067 573354463 /nfs/dbraw/zinc/35/44/63/573354463.db2.gz IYDCFZYYZKVFPR-UHFFFAOYSA-N 2 1 168.284 1.376 10 0 ADAEMP CCc1c[nH+]cn1CCC[NH2+]C1CC1 132865161 573354548 /nfs/dbraw/zinc/35/45/48/573354548.db2.gz AQGXAGKGMDDTPL-UHFFFAOYSA-N 2 1 193.294 1.588 10 0 ADAEMP C[NH2+]CC1([C@H]([NH3+])c2ccc[nH]2)CCC1 259427414 573354552 /nfs/dbraw/zinc/35/45/52/573354552.db2.gz MYPMRAFSJHQHDD-SNVBAGLBSA-N 2 1 193.294 1.404 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CC[C@@H]([NH3+])[C@@H]1C 83003363 573354630 /nfs/dbraw/zinc/35/46/30/573354630.db2.gz UZBYKTQUAVNAHC-OPRDCNLKSA-N 2 1 193.294 1.744 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@@H+]1C(C)(C)C 86302871 573354730 /nfs/dbraw/zinc/35/47/30/573354730.db2.gz GFQQCCUBTRKKRL-GUBZILKMSA-N 2 1 184.327 1.843 10 0 ADAEMP C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 107118394 573354840 /nfs/dbraw/zinc/35/48/40/573354840.db2.gz ACNFYZTVQUZDQQ-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[C@H](C[NH3+])n1c[nH+]cc1C 132851176 573354843 /nfs/dbraw/zinc/35/48/43/573354843.db2.gz WSSVYDMTLKPADX-SECBINFHSA-N 2 1 167.256 1.491 10 0 ADAEMP CC[NH2+]CCCn1c[nH+]cc1CC 132864915 573354904 /nfs/dbraw/zinc/35/49/04/573354904.db2.gz VUOQVCDWQSZVGO-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CC[C@H]([NH3+])[C@@H]1C 83003359 573355197 /nfs/dbraw/zinc/35/51/97/573355197.db2.gz UZBYKTQUAVNAHC-BBBLOLIVSA-N 2 1 193.294 1.744 10 0 ADAEMP CCC1C[NH+](C[C@]2(CC)CCC[NH2+]2)C1 308561183 573355276 /nfs/dbraw/zinc/35/52/76/573355276.db2.gz XLTTYDYEGNBBGR-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CCc1c[nH+]cn1CC[NH2+]C(C)C 132871328 573355326 /nfs/dbraw/zinc/35/53/26/573355326.db2.gz UUWKZLIVSUPRLD-UHFFFAOYSA-N 2 1 181.283 1.444 10 0 ADAEMP CCc1c[nH+]cn1C[C@H]([NH3+])C(C)C 132878452 573355360 /nfs/dbraw/zinc/35/53/60/573355360.db2.gz AIGLBVDCYRACDS-JTQLQIEISA-N 2 1 181.283 1.429 10 0 ADAEMP CCc1c[nH+]cn1CC[C@@H]1CC[NH2+]C1 132875292 573355465 /nfs/dbraw/zinc/35/54/65/573355465.db2.gz VXJNPJCWUGQHTQ-JTQLQIEISA-N 2 1 193.294 1.445 10 0 ADAEMP CCc1c[nH+]cn1C[C@@H]([NH3+])C(C)C 132878648 573355558 /nfs/dbraw/zinc/35/55/58/573355558.db2.gz AIGLBVDCYRACDS-SNVBAGLBSA-N 2 1 181.283 1.429 10 0 ADAEMP CC[NH2+]CCCn1c[nH+]cc1C 132838131 573355588 /nfs/dbraw/zinc/35/55/88/573355588.db2.gz RNHWLHIWZVDAQD-UHFFFAOYSA-N 2 1 167.256 1.191 10 0 ADAEMP CCC[C@@H](C[NH3+])n1c[nH+]cc1C 132850987 573355640 /nfs/dbraw/zinc/35/56/40/573355640.db2.gz WSSVYDMTLKPADX-VIFPVBQESA-N 2 1 167.256 1.491 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 86303166 573355874 /nfs/dbraw/zinc/35/58/74/573355874.db2.gz FGBRNGCZUSGASI-UTLUCORTSA-N 2 1 170.300 1.325 10 0 ADAEMP CCc1c[nH+]cn1[C@@H](C[NH3+])C1CC1 132879085 573355745 /nfs/dbraw/zinc/35/57/45/573355745.db2.gz LYVLECVHLVGQHE-JTQLQIEISA-N 2 1 179.267 1.355 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](C)[C@@H]1C 86303178 573355801 /nfs/dbraw/zinc/35/58/01/573355801.db2.gz DPJLAHJFWMUXEG-HOSYDEDBSA-N 2 1 196.338 1.857 10 0 ADAEMP CCc1c[nH+]cn1C[C@@H](C)C[NH2+]C 132884336 573355802 /nfs/dbraw/zinc/35/58/02/573355802.db2.gz DCXRFIMZRYXSPF-VIFPVBQESA-N 2 1 181.283 1.301 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](C2CCCC2)[C@@H]1C 86303253 573355896 /nfs/dbraw/zinc/35/58/96/573355896.db2.gz WMERDADMYZMIBO-UMNHJUIQSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 86303219 573355917 /nfs/dbraw/zinc/35/59/17/573355917.db2.gz JCNINDIQVQFLHF-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP CCCC[C@H](C[NH3+])n1c[nH+]cc1C 132855762 573356007 /nfs/dbraw/zinc/35/60/07/573356007.db2.gz RLLLRMGZIQMWSQ-SNVBAGLBSA-N 2 1 181.283 1.882 10 0 ADAEMP C[NH2+]C[C@@H](C)Cn1c[nH+]cc1C 132856765 573358283 /nfs/dbraw/zinc/35/82/83/573358283.db2.gz ZZXXRVONNLOCBS-MRVPVSSYSA-N 2 1 167.256 1.047 10 0 ADAEMP CCc1c[nH+]cn1C(CC)(CC)C[NH3+] 132877596 573358708 /nfs/dbraw/zinc/35/87/08/573358708.db2.gz NOCIPGZARRPKNU-UHFFFAOYSA-N 2 1 195.310 1.920 10 0 ADAEMP CCc1c[nH+]cn1[C@H](CC)C[NH3+] 132879711 573358164 /nfs/dbraw/zinc/35/81/64/573358164.db2.gz IWLTZFJPYZHUJF-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CCc1c[nH+]cn1[C@H](C[NH3+])CC(C)C 132877161 573358182 /nfs/dbraw/zinc/35/81/82/573358182.db2.gz QCOHJAUOTPUAJR-NSHDSACASA-N 2 1 195.310 1.991 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)[C@@H](C)C[NH3+])c1C 86313156 573358312 /nfs/dbraw/zinc/35/83/12/573358312.db2.gz YQAARASJUYPTOR-CBAPKCEASA-N 2 1 181.283 1.656 10 0 ADAEMP C[C@@H]1CO[C@](C)(C[C@H]2CCCC[NH2+]2)[NH2+]1 258293824 573358420 /nfs/dbraw/zinc/35/84/20/573358420.db2.gz CGRPJVXJNZUPAG-GMTAPVOTSA-N 2 1 198.310 1.243 10 0 ADAEMP Cc1c[nH+]cn1[C@H](C[NH3+])CC(C)C 132848157 573358449 /nfs/dbraw/zinc/35/84/49/573358449.db2.gz BUBCOEDTXITVSN-JTQLQIEISA-N 2 1 181.283 1.737 10 0 ADAEMP CCC[NH2+]CCn1c[nH+]cc1C 132843076 573358492 /nfs/dbraw/zinc/35/84/92/573358492.db2.gz RLHJJFQSRMHDEK-UHFFFAOYSA-N 2 1 167.256 1.191 10 0 ADAEMP [NH3+][C@H]1CC[NH2+][C@H](c2ccco2)C1 107120866 573358518 /nfs/dbraw/zinc/35/85/18/573358518.db2.gz AJZDNGVVSJOTBI-YUMQZZPRSA-N 2 1 166.224 1.031 10 0 ADAEMP C[N@H+]1CCC[C@](C[NH3+])(C2CC2)C1 107121719 573358530 /nfs/dbraw/zinc/35/85/30/573358530.db2.gz KRROAHFIVLJMKA-SNVBAGLBSA-N 2 1 168.284 1.067 10 0 ADAEMP CCc1c[nH+]cn1C[C@@H]([NH3+])C1CC1 132884143 573358565 /nfs/dbraw/zinc/35/85/65/573358565.db2.gz BQAKNANVLHNOCF-SNVBAGLBSA-N 2 1 179.267 1.183 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](CCC2CC2)[C@@H]1C 86305523 573358569 /nfs/dbraw/zinc/35/85/69/573358569.db2.gz HMJYNPCLYXDJIT-UMNHJUIQSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1C[NH2+][C@H](C)C1 258294578 573358600 /nfs/dbraw/zinc/35/86/00/573358600.db2.gz UGONAZBEHMFRJX-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]CC1([C@@H]([NH3+])c2ccc[nH]2)CCC1 259427412 573359154 /nfs/dbraw/zinc/35/91/54/573359154.db2.gz MYPMRAFSJHQHDD-JTQLQIEISA-N 2 1 193.294 1.404 10 0 ADAEMP C[C@@H]1CO[C@@](C)(C[C@H]2CCCC[NH2+]2)[NH2+]1 258293833 573359158 /nfs/dbraw/zinc/35/91/58/573359158.db2.gz CGRPJVXJNZUPAG-MXWKQRLJSA-N 2 1 198.310 1.243 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]([C@H]2C[C@H]2C)[C@H]1C 86304687 573359169 /nfs/dbraw/zinc/35/91/69/573359169.db2.gz LMKVHSGKDDEVTR-UVOCVTCTSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1CO[C@](C)(C[C@@H]2CCCC[NH2+]2)[NH2+]1 258293845 573360022 /nfs/dbraw/zinc/36/00/22/573360022.db2.gz CGRPJVXJNZUPAG-OUAUKWLOSA-N 2 1 198.310 1.243 10 0 ADAEMP CC(C)(CC[NH3+])[N@@H+]1C[C@H]2C[C@H]2C1 107121733 573360033 /nfs/dbraw/zinc/36/00/33/573360033.db2.gz FDXIERODBVMCGA-DTORHVGOSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1C[NH2+][C@@H](C)C1 258294586 573360735 /nfs/dbraw/zinc/36/07/35/573360735.db2.gz UGONAZBEHMFRJX-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1C[NH2+][C@@H](C)C1 258294583 573360252 /nfs/dbraw/zinc/36/02/52/573360252.db2.gz UGONAZBEHMFRJX-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@](C[NH3+])(C2CC2)C1 107121715 573360314 /nfs/dbraw/zinc/36/03/14/573360314.db2.gz KRROAHFIVLJMKA-JTQLQIEISA-N 2 1 168.284 1.067 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CCC1C[NH2+]C1 129742240 573360738 /nfs/dbraw/zinc/36/07/38/573360738.db2.gz PYRNKHYKLQENIY-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+][C@@H]1CC[NH2+][C@H](c2ccco2)C1 107120860 573360498 /nfs/dbraw/zinc/36/04/98/573360498.db2.gz AJZDNGVVSJOTBI-SFYZADRCSA-N 2 1 166.224 1.031 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)[C@H](C)C[NH3+])c1C 86313158 573360538 /nfs/dbraw/zinc/36/05/38/573360538.db2.gz YQAARASJUYPTOR-APPZFPTMSA-N 2 1 181.283 1.656 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)[C@@H](C)C[NH3+] 86313004 573360566 /nfs/dbraw/zinc/36/05/66/573360566.db2.gz GWNFZAQJGRSGJT-YUMQZZPRSA-N 2 1 167.256 1.347 10 0 ADAEMP C[N@H+]1CCC[C@H](C/C=C\C[NH3+])C1 258318109 573363039 /nfs/dbraw/zinc/36/30/39/573363039.db2.gz VVHVJACEOBXPJO-ZMWSMAPVSA-N 2 1 168.284 1.233 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1 211343720 573362626 /nfs/dbraw/zinc/36/26/26/573362626.db2.gz HJPRZSLRPVUVRL-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP Cc1[nH+]cn([C@H](C)[C@H](C)C[NH3+])c1C 86313159 573362634 /nfs/dbraw/zinc/36/26/34/573362634.db2.gz YQAARASJUYPTOR-VXNVDRBHSA-N 2 1 181.283 1.656 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](C2CCC2)[C@@H]1C 86304659 573362694 /nfs/dbraw/zinc/36/26/94/573362694.db2.gz ULDZYGRMCXTYAJ-NGZCFLSTSA-N 2 1 182.311 1.597 10 0 ADAEMP COC[C@@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 223274190 573362862 /nfs/dbraw/zinc/36/28/62/573362862.db2.gz AQHIZERRHKMPPI-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[N@H+]1CCC[C@@H](C/C=C\C[NH3+])C1 258318107 573363007 /nfs/dbraw/zinc/36/30/07/573363007.db2.gz VVHVJACEOBXPJO-MXQLGCADSA-N 2 1 168.284 1.233 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CC[C@H]1C=CCC1 308369007 573365308 /nfs/dbraw/zinc/36/53/08/573365308.db2.gz NWVKNBCVQWGLRR-RYUDHWBXSA-N 2 1 194.322 1.766 10 0 ADAEMP C[N@H+]1CC[C@@H](C(=O)CCC(C)(C)[NH3+])C1 259089979 573365358 /nfs/dbraw/zinc/36/53/58/573365358.db2.gz GEXQHZLUBQQEDJ-SECBINFHSA-N 2 1 198.310 1.025 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1CC[C@H]1C=CCC1 308369007 573365313 /nfs/dbraw/zinc/36/53/13/573365313.db2.gz NWVKNBCVQWGLRR-RYUDHWBXSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCC[NH+](C)C)C1 308369731 573364904 /nfs/dbraw/zinc/36/49/04/573364904.db2.gz JZKKADMMEGZMOY-NSHDSACASA-N 2 1 184.327 1.670 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@H+]1CC[C@@H](C)C1 223271838 573365248 /nfs/dbraw/zinc/36/52/48/573365248.db2.gz NRGHSDBSTDBTDT-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP Cc1ccc([C@H]2C[C@@H]([NH3+])CC[NH2+]2)o1 107127634 573366790 /nfs/dbraw/zinc/36/67/90/573366790.db2.gz NMFRDHZVHOZXLB-DTWKUNHWSA-N 2 1 180.251 1.340 10 0 ADAEMP Cc1c[nH]c(N2CC[C@H]([NH3+])C[C@@H]2C)[nH+]1 235576931 573367783 /nfs/dbraw/zinc/36/77/83/573367783.db2.gz PERFLMCOZDZJHD-IUCAKERBSA-N 2 1 194.282 1.034 10 0 ADAEMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C1CC1 133114432 573367057 /nfs/dbraw/zinc/36/70/57/573367057.db2.gz NNXKGTQBZUKTOS-VHSXEESVSA-N 2 1 182.311 1.313 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)C2CC2)C1 133114936 573367243 /nfs/dbraw/zinc/36/72/43/573367243.db2.gz FBKGHOSEIHBIMD-WDEREUQCSA-N 2 1 196.338 1.574 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])[C@H](CC)C1 133106240 573367318 /nfs/dbraw/zinc/36/73/18/573367318.db2.gz XLAUFFMWOLSBBP-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]CC1([C@@H]([NH3+])c2cc[nH]c2)CCC1 259429580 573367424 /nfs/dbraw/zinc/36/74/24/573367424.db2.gz NCRVAAJQDVGLNB-JTQLQIEISA-N 2 1 193.294 1.404 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126135463 573369080 /nfs/dbraw/zinc/36/90/80/573369080.db2.gz MZFBWFZJIZOGND-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+]1C[C@@H](C2CCC2)C[C@H]1C[NH3+] 258639824 573371554 /nfs/dbraw/zinc/37/15/54/573371554.db2.gz YQZGWECMNMVUPI-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@@H](C2CCC2)C[C@H]1C[NH3+] 258639824 573371556 /nfs/dbraw/zinc/37/15/56/573371556.db2.gz YQZGWECMNMVUPI-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@@H]2C[NH2+]C(C)(C)C2)C1 258323968 573371772 /nfs/dbraw/zinc/37/17/72/573371772.db2.gz WKUBYWFMIVXNSP-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+](C)[C@@H]1CCCSC1 107133699 573371918 /nfs/dbraw/zinc/37/19/18/573371918.db2.gz CUXAJPOZLLANCX-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CCCSC1 107133699 573371924 /nfs/dbraw/zinc/37/19/24/573371924.db2.gz CUXAJPOZLLANCX-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[NH2+]CC1([C@H]([NH3+])c2cc[nH]c2)CCC1 259429582 573371984 /nfs/dbraw/zinc/37/19/84/573371984.db2.gz NCRVAAJQDVGLNB-SNVBAGLBSA-N 2 1 193.294 1.404 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)C2CC2)C1 133115067 573372005 /nfs/dbraw/zinc/37/20/05/573372005.db2.gz FBKGHOSEIHBIMD-GHMZBOCLSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@H+]1CCC[C@H](/C=C\C[NH2+]C)C1 258015729 573372639 /nfs/dbraw/zinc/37/26/39/573372639.db2.gz BIOCKFXKNVTAGX-QZPNVGJNSA-N 2 1 182.311 1.494 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C[C@H](C)C2CC2)C1 133091369 573372972 /nfs/dbraw/zinc/37/29/72/573372972.db2.gz HNOZOOQDIWXRBE-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+][C@@H]1CC[NH2+][C@@H](c2ccccc2F)C1 107137511 573372851 /nfs/dbraw/zinc/37/28/51/573372851.db2.gz SUCVRKNDAROUQM-LDYMZIIASA-N 2 1 194.253 1.578 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)C2CC2)C1 133091369 573372977 /nfs/dbraw/zinc/37/29/77/573372977.db2.gz HNOZOOQDIWXRBE-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+][C@@H]1CC[NH2+][C@H](c2ccccc2F)C1 107137508 573372989 /nfs/dbraw/zinc/37/29/89/573372989.db2.gz SUCVRKNDAROUQM-KCJUWKMLSA-N 2 1 194.253 1.578 10 0 ADAEMP C1C[NH2+]C[C@@H](CC[N@@H+]2C[C@H]3C[C@H]3C2)C1 107137887 573373565 /nfs/dbraw/zinc/37/35/65/573373565.db2.gz PMEJTTIIJFRPSX-UTUOFQBUSA-N 2 1 194.322 1.328 10 0 ADAEMP C1CC(CC[N@@H+]2C[C@H]3C[C@H]3C2)CC[NH2+]1 107137880 573373579 /nfs/dbraw/zinc/37/35/79/573373579.db2.gz YZHOYJGEPKTIQC-TXEJJXNPSA-N 2 1 194.322 1.328 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126141759 573373904 /nfs/dbraw/zinc/37/39/04/573373904.db2.gz YBSIYYWQQKHXCD-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CCC[C@@H](/C=C\C[NH2+]C)C1 258015734 573373999 /nfs/dbraw/zinc/37/39/99/573373999.db2.gz BIOCKFXKNVTAGX-VLWUPBBWSA-N 2 1 182.311 1.494 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133087767 573374606 /nfs/dbraw/zinc/37/46/06/573374606.db2.gz ITMKRUAOTHZBEU-QJPTWQEYSA-N 2 1 198.354 1.949 10 0 ADAEMP C[N@@H+](CCC1C[NH2+]C1)CC(C)(C)C 129633371 573375216 /nfs/dbraw/zinc/37/52/16/573375216.db2.gz NTOSFIOMFYEDBD-UHFFFAOYSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)[C@@H]([C@@H]1CCCC[NH2+]1)[NH+](C)C 259431049 573375436 /nfs/dbraw/zinc/37/54/36/573375436.db2.gz IKWJTDLPROVOFL-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)CC1(C)C 259430746 573375604 /nfs/dbraw/zinc/37/56/04/573375604.db2.gz NZTGOKGLECXJEF-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP [NH3+][C@H]1CC[NH2+][C@@H](c2ccccc2F)C1 107137516 573375984 /nfs/dbraw/zinc/37/59/84/573375984.db2.gz SUCVRKNDAROUQM-GZMMTYOYSA-N 2 1 194.253 1.578 10 0 ADAEMP C1CC[C@H](CC[N@@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107137873 573376108 /nfs/dbraw/zinc/37/61/08/573376108.db2.gz GTWPURZNEFLFDE-GRYCIOLGSA-N 2 1 194.322 1.470 10 0 ADAEMP Cc1ccoc1C[N@@H+](C)[C@H](C)CC[NH3+] 308565240 573376254 /nfs/dbraw/zinc/37/62/54/573376254.db2.gz HLNFSFVWNNMQCV-SNVBAGLBSA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1ccoc1C[N@H+](C)[C@H](C)CC[NH3+] 308565240 573376258 /nfs/dbraw/zinc/37/62/58/573376258.db2.gz HLNFSFVWNNMQCV-SNVBAGLBSA-N 2 1 196.294 1.757 10 0 ADAEMP C[N@H+]1CC[C@H](CCC2([NH3+])CCCC2)C1 258017546 573376298 /nfs/dbraw/zinc/37/62/98/573376298.db2.gz NCNIMBSMPRKAIC-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+][C@H]1CC[NH2+][C@H](c2ccccc2F)C1 107137512 573376418 /nfs/dbraw/zinc/37/64/18/573376418.db2.gz SUCVRKNDAROUQM-KWQFWETISA-N 2 1 194.253 1.578 10 0 ADAEMP [NH3+]C[C@H](C1CCCC1)[NH+]1CC=CC1 236199014 573376551 /nfs/dbraw/zinc/37/65/51/573376551.db2.gz FCPBZILDNQJEPL-LLVKDONJSA-N 2 1 180.295 1.376 10 0 ADAEMP C[N@H+]1CC[C@@H](CCC2([NH3+])CCCC2)C1 258017545 573376565 /nfs/dbraw/zinc/37/65/65/573376565.db2.gz NCNIMBSMPRKAIC-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[NH2+][C@H](C)CCC1=CC[N@@H+](C)CC1 258017378 573376667 /nfs/dbraw/zinc/37/66/67/573376667.db2.gz JHRXNJQLSPPXCB-SNVBAGLBSA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)[NH2+]CC[NH+]1C[C@@H]2CCC[C@H]2C1 126144132 573376911 /nfs/dbraw/zinc/37/69/11/573376911.db2.gz GIOMQLNAMVLYAW-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H](C)CCC1=CC[N@@H+](C)CC1 258017376 573377863 /nfs/dbraw/zinc/37/78/63/573377863.db2.gz JHRXNJQLSPPXCB-JTQLQIEISA-N 2 1 182.311 1.636 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126142019 573377043 /nfs/dbraw/zinc/37/70/43/573377043.db2.gz YBSIYYWQQKHXCD-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[NH2+]CC[N@H+]1C[C@H]2CCC[C@H]2C1 126143665 573377237 /nfs/dbraw/zinc/37/72/37/573377237.db2.gz GIOMQLNAMVLYAW-TXEJJXNPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[NH2+]CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126143665 573377241 /nfs/dbraw/zinc/37/72/41/573377241.db2.gz GIOMQLNAMVLYAW-TXEJJXNPSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1ccoc1C[N@@H+](C)[C@@H](C)CC[NH3+] 308565239 573377960 /nfs/dbraw/zinc/37/79/60/573377960.db2.gz HLNFSFVWNNMQCV-JTQLQIEISA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1ccoc1C[N@H+](C)[C@@H](C)CC[NH3+] 308565239 573377963 /nfs/dbraw/zinc/37/79/63/573377963.db2.gz HLNFSFVWNNMQCV-JTQLQIEISA-N 2 1 196.294 1.757 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)[C@@H]1C 83046817 573377990 /nfs/dbraw/zinc/37/79/90/573377990.db2.gz HESYZLMQACZGHL-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)[C@@H]1C 83046817 573377995 /nfs/dbraw/zinc/37/79/95/573377995.db2.gz HESYZLMQACZGHL-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]([C@H]1CCCC[NH2+]1)[NH+](C)C 259431045 573378151 /nfs/dbraw/zinc/37/81/51/573378151.db2.gz IKWJTDLPROVOFL-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@H+]1CCC=C(CCC[NH3+])C1 258017394 573378244 /nfs/dbraw/zinc/37/82/44/573378244.db2.gz JHZIFICYPLFTPJ-UHFFFAOYSA-N 2 1 182.311 1.766 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]C)CC1(C)C 259430749 573378387 /nfs/dbraw/zinc/37/83/87/573378387.db2.gz NZTGOKGLECXJEF-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC(CC)[C@H]1CC[N@@H+](CCN)C1 308378224 573378475 /nfs/dbraw/zinc/37/84/75/573378475.db2.gz TXFAGPNURBAPKF-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CCC(CC)[C@H]1CC[N@H+](CC[NH3+])C1 308378224 573378487 /nfs/dbraw/zinc/37/84/87/573378487.db2.gz TXFAGPNURBAPKF-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CC[N@H+]1CC[C@H](C(C)(C)C[NH3+])C1 259432269 573381461 /nfs/dbraw/zinc/38/14/61/573381461.db2.gz KLWLORWFFWRPJD-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@]1(C[NH2+]CCC(F)F)CCC[NH2+]1 308371607 573381588 /nfs/dbraw/zinc/38/15/88/573381588.db2.gz LEFYJTRERWZDQQ-SECBINFHSA-N 2 1 192.253 1.373 10 0 ADAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])CCO[C@H]1C 308378414 573382637 /nfs/dbraw/zinc/38/26/37/573382637.db2.gz QERWZMMUBSBGOS-WZQADMAKSA-N 2 1 198.310 1.049 10 0 ADAEMP CCC[C@H]1[C@H](C[NH3+])CC[N@H+]1C 107158757 573382734 /nfs/dbraw/zinc/38/27/34/573382734.db2.gz FPHGITMNRFPYPS-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C1CC1)[N@H+]1CCCNCC1 83057916 573382753 /nfs/dbraw/zinc/38/27/53/573382753.db2.gz NGGBCAYZYCDYNQ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@]1(C)[C@@H](C[NH3+])CC[N@H+]1C 107158775 573384774 /nfs/dbraw/zinc/38/47/74/573384774.db2.gz HKJQOFRLWABWTQ-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@]1(C)[C@@H]([NH3+])CC[N@H+]1C 107158788 573385019 /nfs/dbraw/zinc/38/50/19/573385019.db2.gz MDARQSJDMBFJHI-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[N@H+]1CC[C@H](C/C=C\CC[NH3+])C1 258011708 573386605 /nfs/dbraw/zinc/38/66/05/573386605.db2.gz BBSPRKJHTCZJQW-BYCRGOAPSA-N 2 1 182.311 1.623 10 0 ADAEMP C[N@@H+](CCC[NH3+])CCc1ccsc1 133198787 573386795 /nfs/dbraw/zinc/38/67/95/573386795.db2.gz CEUILPFJJXVMDK-UHFFFAOYSA-N 2 1 198.335 1.571 10 0 ADAEMP Cc1[nH+]cc2n1CCC[C@H]2C[NH3+] 107160838 573387003 /nfs/dbraw/zinc/38/70/03/573387003.db2.gz XLQYHIWARPVHHX-QMMMGPOBSA-N 2 1 165.240 1.028 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2C[NH2+]C(C)(C)C2)C1 258011653 573387337 /nfs/dbraw/zinc/38/73/37/573387337.db2.gz BAEKNIDSDHBIKS-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C[NH2+]C)c1[nH]c(C)c(C)[nH+]1 258495099 573387762 /nfs/dbraw/zinc/38/77/62/573387762.db2.gz DDGUJFPMPQPQPL-SECBINFHSA-N 2 1 181.283 1.740 10 0 ADAEMP CCO[C@@H]1C[C@@H]([NH3+])[C@@H]1[NH2+]C1CCCC1 129809174 573387897 /nfs/dbraw/zinc/38/78/97/573387897.db2.gz NMWPPKHTVLAEMG-MXWKQRLJSA-N 2 1 198.310 1.023 10 0 ADAEMP Cc1[nH+]cc2n1CCC[C@@H]2C[NH3+] 107160834 573388252 /nfs/dbraw/zinc/38/82/52/573388252.db2.gz XLQYHIWARPVHHX-MRVPVSSYSA-N 2 1 165.240 1.028 10 0 ADAEMP C[C@@H](C[NH2+]C[C@H]([NH3+])C(C)(C)C)C1CC1 133251173 573389634 /nfs/dbraw/zinc/38/96/34/573389634.db2.gz IXHYYZHDQKXVSB-ONGXEEELSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@H](C[NH2+]C[C@@H]([NH3+])C(C)(C)C)C1CC1 133251751 573389763 /nfs/dbraw/zinc/38/97/63/573389763.db2.gz IXHYYZHDQKXVSB-MWLCHTKSSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@@H](C[NH2+]C[C@@H]([NH3+])C(C)(C)C)C1CC1 133251554 573391729 /nfs/dbraw/zinc/39/17/29/573391729.db2.gz IXHYYZHDQKXVSB-GXSJLCMTSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 126162462 573390857 /nfs/dbraw/zinc/39/08/57/573390857.db2.gz ORAVPQARQPVYJY-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258011649 573391138 /nfs/dbraw/zinc/39/11/38/573391138.db2.gz BAEKNIDSDHBIKS-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C/C=C\C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 214361543 573391317 /nfs/dbraw/zinc/39/13/17/573391317.db2.gz ICZQDBUYSWSQDT-ANDSXOESSA-N 2 1 182.311 1.764 10 0 ADAEMP CC[C@@H](C[NH2+]C)c1[nH]c(C)c(C)[nH+]1 258495101 573391632 /nfs/dbraw/zinc/39/16/32/573391632.db2.gz DDGUJFPMPQPQPL-VIFPVBQESA-N 2 1 181.283 1.740 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])C12CCCC2 107162296 573391645 /nfs/dbraw/zinc/39/16/45/573391645.db2.gz GSYXVUMFNCEDFF-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@H](C/C=C\C[NH3+])C1 258309851 573391919 /nfs/dbraw/zinc/39/19/19/573391919.db2.gz VKCLBNQGZBWVAU-XOULXFPDSA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@H](C[NH2+]C[C@H]([NH3+])C(C)(C)C)C1CC1 133251379 573392170 /nfs/dbraw/zinc/39/21/70/573392170.db2.gz IXHYYZHDQKXVSB-KOLCDFICSA-N 2 1 198.354 1.996 10 0 ADAEMP CC[C@H]1CC[N@@H+](CCC2C[NH2+]C2)C1 129809687 573391983 /nfs/dbraw/zinc/39/19/83/573391983.db2.gz QKSSVHOCEYVRIJ-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP CCO[C@@H]1C[C@H]([NH3+])[C@@H]1[NH2+]C1CCCC1 129808773 573392035 /nfs/dbraw/zinc/39/20/35/573392035.db2.gz NMWPPKHTVLAEMG-AXFHLTTASA-N 2 1 198.310 1.023 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)C1 129809460 573392085 /nfs/dbraw/zinc/39/20/85/573392085.db2.gz QKSSVHOCEYVRIJ-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CC1)C[C@@H]2C[NH3+] 107162268 573392972 /nfs/dbraw/zinc/39/29/72/573392972.db2.gz DHHKJUDMKIIPHT-NXEZZACHSA-N 2 1 168.284 1.067 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@]1(C)C1CC1 107162292 573393023 /nfs/dbraw/zinc/39/30/23/573393023.db2.gz IKEDQDFUXWCCOR-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@]1(C)C1CC1 107162286 573393150 /nfs/dbraw/zinc/39/31/50/573393150.db2.gz IKEDQDFUXWCCOR-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C1C[NH2+][C@@H](C2CC2)C[N@H+](C2CC2)C1 83091536 573393151 /nfs/dbraw/zinc/39/31/51/573393151.db2.gz RWPOQCSQEZECQF-LLVKDONJSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@@H]1N1CCC[NH2+]C(C)(C)C1 83093079 573393321 /nfs/dbraw/zinc/39/33/21/573393321.db2.gz OYBCSTYDDYVGFC-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@]1(C)C[N@H+](C2CC2)CCC[NH2+]1 83091518 573393494 /nfs/dbraw/zinc/39/34/94/573393494.db2.gz ZYPGZXJBEFXXSF-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@]1(C)C[N@H+](C2CC2)CCC[NH2+]1 83091519 573394235 /nfs/dbraw/zinc/39/42/35/573394235.db2.gz ZYPGZXJBEFXXSF-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])C12CCCC2 107162300 573394268 /nfs/dbraw/zinc/39/42/68/573394268.db2.gz GSYXVUMFNCEDFF-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)(C)[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091531 573394273 /nfs/dbraw/zinc/39/42/73/573394273.db2.gz GTEPANYBPSIAON-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091505 573394343 /nfs/dbraw/zinc/39/43/43/573394343.db2.gz PCZHJIMGYFVMSF-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@]2(C[C@@H]2CC[NH3+])C1 107162281 573394556 /nfs/dbraw/zinc/39/45/56/573394556.db2.gz ZTFGICMOAHBMFA-UWVGGRQHSA-N 2 1 168.284 1.067 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CCCN[C@@H](C)C1 83093811 573394636 /nfs/dbraw/zinc/39/46/36/573394636.db2.gz IXENDCSLELRLDU-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CSCC[N@@H+]1CCC[NH2+][C@@H](C)C1 83093483 573394656 /nfs/dbraw/zinc/39/46/56/573394656.db2.gz OAEAPLAFUZMKAY-VIFPVBQESA-N 2 1 188.340 1.033 10 0 ADAEMP CC(C)[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091538 573394675 /nfs/dbraw/zinc/39/46/75/573394675.db2.gz TZQDUZHAWQFPAY-NSHDSACASA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@]2(C[C@@H]2CC[NH3+])C1 107162283 573394747 /nfs/dbraw/zinc/39/47/47/573394747.db2.gz ZTFGICMOAHBMFA-VHSXEESVSA-N 2 1 168.284 1.067 10 0 ADAEMP CCC[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091511 573394827 /nfs/dbraw/zinc/39/48/27/573394827.db2.gz OXJCFFXSHZQQRV-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP [NH3+][C@H](C[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 259094145 573394893 /nfs/dbraw/zinc/39/48/93/573394893.db2.gz AMWMLGZFRJUFKJ-VHSXEESVSA-N 2 1 193.294 1.547 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CC[C@H](C[NH3+])C1 107162316 573394934 /nfs/dbraw/zinc/39/49/34/573394934.db2.gz PXJZNIYFDMONBD-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@@H](C[C@H]1CCCC[NH2+]1)c1ccc[nH]1 259094147 573394975 /nfs/dbraw/zinc/39/49/75/573394975.db2.gz AMWMLGZFRJUFKJ-ZJUUUORDSA-N 2 1 193.294 1.547 10 0 ADAEMP C[C@H]1C[C@@H]1N1CCC[NH2+]C(C)(C)C1 83093081 573394988 /nfs/dbraw/zinc/39/49/88/573394988.db2.gz OYBCSTYDDYVGFC-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@]2(CC1)C[C@@H]2C[NH3+] 107162271 573395045 /nfs/dbraw/zinc/39/50/45/573395045.db2.gz DHHKJUDMKIIPHT-ZJUUUORDSA-N 2 1 168.284 1.067 10 0 ADAEMP CCC[C@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091513 573397186 /nfs/dbraw/zinc/39/71/86/573397186.db2.gz OXJCFFXSHZQQRV-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]([NH3+])CSCCc1[nH+]ccn1C 126178350 573400955 /nfs/dbraw/zinc/40/09/55/573400955.db2.gz HMXTURUUWAHQPJ-QMMMGPOBSA-N 2 1 199.323 1.043 10 0 ADAEMP CC(C)CCn1c[nH+]cc1[C@@H](C)C[NH3+] 308573958 573400690 /nfs/dbraw/zinc/40/06/90/573400690.db2.gz LUFWUIGTYCKJCC-JTQLQIEISA-N 2 1 195.310 1.991 10 0 ADAEMP C1C[C@@H]2CC[NH2+][C@H]2[C@H]2CCC[N@@H+]2C1 257810254 573400831 /nfs/dbraw/zinc/40/08/31/573400831.db2.gz AIMTYHZWOIZLNP-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[N@H+]1CC[C@@H](c2ccccc2C[NH3+])C1 107176051 573400885 /nfs/dbraw/zinc/40/08/85/573400885.db2.gz HIWGSCACQPUMFK-LLVKDONJSA-N 2 1 190.290 1.564 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]([C@H]2[NH2+][C@H](C)CO2)C1 258342453 573401752 /nfs/dbraw/zinc/40/17/52/573401752.db2.gz FDFCPDDDUFDROA-MXWKQRLJSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H]2[NH2+][C@H](C)CO2)C1 258342453 573401758 /nfs/dbraw/zinc/40/17/58/573401758.db2.gz FDFCPDDDUFDROA-MXWKQRLJSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]([C@H]2[NH2+][C@H](C)CO2)C1 258342476 573401776 /nfs/dbraw/zinc/40/17/76/573401776.db2.gz FDFCPDDDUFDROA-VWYCJHECSA-N 2 1 198.310 1.051 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H]2[NH2+][C@H](C)CO2)C1 258342476 573401778 /nfs/dbraw/zinc/40/17/78/573401778.db2.gz FDFCPDDDUFDROA-VWYCJHECSA-N 2 1 198.310 1.051 10 0 ADAEMP Nc1[nH]c(C[NH+]2CCCCCC2)c[nH+]1 258342417 573403181 /nfs/dbraw/zinc/40/31/81/573403181.db2.gz XYWWHCOBTSJUNR-UHFFFAOYSA-N 2 1 194.282 1.368 10 0 ADAEMP CC(C)CCn1c[nH+]cc1[C@H](C)C[NH3+] 308574324 573403751 /nfs/dbraw/zinc/40/37/51/573403751.db2.gz LUFWUIGTYCKJCC-SNVBAGLBSA-N 2 1 195.310 1.991 10 0 ADAEMP CC(C)(C)Cc1c[nH+]cn1CCC[NH3+] 133494145 573404709 /nfs/dbraw/zinc/40/47/09/573404709.db2.gz JCGVMSGJYBLNLR-UHFFFAOYSA-N 2 1 195.310 1.821 10 0 ADAEMP CC(C)(C)[NH2+][C@H](C[NH3+])C1CCCC1 257810445 573405465 /nfs/dbraw/zinc/40/54/65/573405465.db2.gz AKBQEIHARHWSJE-SNVBAGLBSA-N 2 1 184.327 1.892 10 0 ADAEMP CCCc1c[nH+]cn1[C@@H](CC)C[NH3+] 133543878 573405467 /nfs/dbraw/zinc/40/54/67/573405467.db2.gz LYEWZVRVXVZPON-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]([NH3+])C2)o1 86400314 573407739 /nfs/dbraw/zinc/40/77/39/573407739.db2.gz SMMKTVZJMNMESC-NXEZZACHSA-N 2 1 194.278 1.557 10 0 ADAEMP CCCc1c[nH+]cn1CC[C@@H](C)[NH3+] 133512436 573407145 /nfs/dbraw/zinc/40/71/45/573407145.db2.gz WWYSGXRUSVWNAS-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CC(C)Cc1c[nH+]cn1CC[C@H](C)[NH3+] 133513962 573407266 /nfs/dbraw/zinc/40/72/66/573407266.db2.gz KSSDWXUPDBTDIK-JTQLQIEISA-N 2 1 195.310 1.819 10 0 ADAEMP CC[C@H](C[NH3+])n1c[nH+]cc1C1CC1 133544984 573407397 /nfs/dbraw/zinc/40/73/97/573407397.db2.gz LHMBFGIUNYXGOL-SECBINFHSA-N 2 1 179.267 1.670 10 0 ADAEMP c1[nH+]cn(CC[NH2+]C2CC2)c1C1CC1 133507024 573407624 /nfs/dbraw/zinc/40/76/24/573407624.db2.gz UEUKFNULOHQPDC-UHFFFAOYSA-N 2 1 191.278 1.513 10 0 ADAEMP CCCc1c[nH+]cn1[C@H](C[NH3+])C(C)C 133550102 573407656 /nfs/dbraw/zinc/40/76/56/573407656.db2.gz SBCYJMQFUFUAMZ-LLVKDONJSA-N 2 1 195.310 1.991 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]([C@@]2(C)[NH2+]CCO2)C1 258646970 573408345 /nfs/dbraw/zinc/40/83/45/573408345.db2.gz SDEYNXGYDYIDDY-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@]2(C)[NH2+]CCO2)C1 258646970 573408350 /nfs/dbraw/zinc/40/83/50/573408350.db2.gz SDEYNXGYDYIDDY-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP CC(C)Cc1c[nH+]cn1C(C)(C)C[NH3+] 133509804 573408364 /nfs/dbraw/zinc/40/83/64/573408364.db2.gz CLBOFJXKRWXAPN-UHFFFAOYSA-N 2 1 195.310 1.775 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccco2)C1 86396766 573408402 /nfs/dbraw/zinc/40/84/02/573408402.db2.gz MBMAJRDEPQPRLG-BDAKNGLRSA-N 2 1 180.251 1.249 10 0 ADAEMP CC[NH2+]CCn1c[nH+]cc1CC(C)C 133503244 573408507 /nfs/dbraw/zinc/40/85/07/573408507.db2.gz OQTLBTUTNMSHFA-UHFFFAOYSA-N 2 1 195.310 1.691 10 0 ADAEMP CCCc1c[nH+]cn1[C@H](CC)C[NH3+] 133544103 573408521 /nfs/dbraw/zinc/40/85/21/573408521.db2.gz LYEWZVRVXVZPON-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP CC[C@@H](C[NH3+])n1c[nH+]cc1CC(C)C 133545188 573408631 /nfs/dbraw/zinc/40/86/31/573408631.db2.gz ZAHNMFVFLIPZAX-JTQLQIEISA-N 2 1 195.310 1.991 10 0 ADAEMP CCCc1c[nH+]cn1[C@@H](C[NH3+])C(C)C 133549884 573409753 /nfs/dbraw/zinc/40/97/53/573409753.db2.gz SBCYJMQFUFUAMZ-NSHDSACASA-N 2 1 195.310 1.991 10 0 ADAEMP Cc1c[nH+]ccc1O[C@@H]1CC[C@@H]([NH3+])C1 86407889 573409762 /nfs/dbraw/zinc/40/97/62/573409762.db2.gz JXDUKDLESVUKCA-NXEZZACHSA-N 2 1 192.262 1.649 10 0 ADAEMP C[C@H]([NH3+])CCn1c[nH+]cc1C1CC1 133513296 573409823 /nfs/dbraw/zinc/40/98/23/573409823.db2.gz YLLZSVDKGAIVAS-QMMMGPOBSA-N 2 1 179.267 1.498 10 0 ADAEMP CCCc1c[nH+]cn1C[C@H]1CCC[NH2+]1 133498528 573411039 /nfs/dbraw/zinc/41/10/39/573411039.db2.gz WJICURJCRNVCMO-SNVBAGLBSA-N 2 1 193.294 1.588 10 0 ADAEMP C[C@@H]([NH3+])CCn1c[nH+]cc1C1CC1 133513510 573411081 /nfs/dbraw/zinc/41/10/81/573411081.db2.gz YLLZSVDKGAIVAS-MRVPVSSYSA-N 2 1 179.267 1.498 10 0 ADAEMP CCCc1c[nH+]cn1CC[NH2+]CC 133502592 573411107 /nfs/dbraw/zinc/41/11/07/573411107.db2.gz WWFNAFQQMWXAGY-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP C/C(=C\CC[NH3+])CCc1[nH+]ccn1C 308386160 573411179 /nfs/dbraw/zinc/41/11/79/573411179.db2.gz JHJAHYAJABEFLW-ONNFQVAWSA-N 2 1 193.294 1.648 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCC[N@H+]1CC1CCC1 308578132 573411483 /nfs/dbraw/zinc/41/14/83/573411483.db2.gz INLDWBWNDWCSLF-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1c[nH+]ccc1O[C@H]1CC[C@@H]([NH3+])C1 86407890 573411497 /nfs/dbraw/zinc/41/14/97/573411497.db2.gz JXDUKDLESVUKCA-ZJUUUORDSA-N 2 1 192.262 1.649 10 0 ADAEMP C[NH2+][C@@H](c1c[nH+]ccc1N)C1CCC1 83121741 573411694 /nfs/dbraw/zinc/41/16/94/573411694.db2.gz QBGVSJYSBHMPSF-LLVKDONJSA-N 2 1 191.278 1.724 10 0 ADAEMP CCC(CC)c1c[nH+]cn1CC[NH3+] 133591152 573411876 /nfs/dbraw/zinc/41/18/76/573411876.db2.gz FVGCJWWFZXNBFJ-UHFFFAOYSA-N 2 1 181.283 1.745 10 0 ADAEMP CC(C)Cc1c[nH+]cn1[C@H](C)C[NH3+] 133527465 573414582 /nfs/dbraw/zinc/41/45/82/573414582.db2.gz PRBZWWHSTULECN-SECBINFHSA-N 2 1 181.283 1.601 10 0 ADAEMP C[C@H](CC(F)F)[N@H+]1CC[C@@H](C[NH3+])C1 308386466 573413125 /nfs/dbraw/zinc/41/31/25/573413125.db2.gz UUSPHDBNDNPCDA-SFYZADRCSA-N 2 1 192.253 1.311 10 0 ADAEMP CCCc1c[nH+]cn1C[C@H]([NH3+])C(C)C 133538045 573413202 /nfs/dbraw/zinc/41/32/02/573413202.db2.gz QLNSTFNEINATME-NSHDSACASA-N 2 1 195.310 1.819 10 0 ADAEMP C[C@@H](CC(F)F)[N@H+]1CC[C@H](C[NH3+])C1 308386464 573413250 /nfs/dbraw/zinc/41/32/50/573413250.db2.gz UUSPHDBNDNPCDA-JGVFFNPUSA-N 2 1 192.253 1.311 10 0 ADAEMP CCCc1c[nH+]cn1[C@H](C)C[NH3+] 133526189 573413760 /nfs/dbraw/zinc/41/37/60/573413760.db2.gz WXKLHNJTDDIIMQ-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP Nc1cc(C[C@H]([NH3+])C2CCC2)cc[nH+]1 83121441 573413762 /nfs/dbraw/zinc/41/37/62/573413762.db2.gz CKJXNZYZEBKWOQ-JTQLQIEISA-N 2 1 191.278 1.334 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 308577207 573413843 /nfs/dbraw/zinc/41/38/43/573413843.db2.gz DYMQOXUWXGHDHP-USZNOCQGSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]cc1C(C)(C)C 133532254 573414015 /nfs/dbraw/zinc/41/40/15/573414015.db2.gz HUEYNAXKUUGYIV-VIFPVBQESA-N 2 1 195.310 1.918 10 0 ADAEMP C[C@H]([NH3+])Cn1c[nH+]cc1CC(C)(C)C 133524285 573414025 /nfs/dbraw/zinc/41/40/25/573414025.db2.gz KGRBCYZCHSIWQI-VIFPVBQESA-N 2 1 195.310 1.819 10 0 ADAEMP CCCc1c[nH+]cn1C[C@@H]([NH3+])C1CC1 133564820 573414154 /nfs/dbraw/zinc/41/41/54/573414154.db2.gz UDUALIIIKPQKQT-LLVKDONJSA-N 2 1 193.294 1.573 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)C1CCC1 83121743 573414274 /nfs/dbraw/zinc/41/42/74/573414274.db2.gz QBGVSJYSBHMPSF-NSHDSACASA-N 2 1 191.278 1.724 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 86409674 573414363 /nfs/dbraw/zinc/41/43/63/573414363.db2.gz ROTRRMNXQLWHKN-IUCAKERBSA-N 2 1 156.273 1.206 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86410122 573414453 /nfs/dbraw/zinc/41/44/53/573414453.db2.gz LBZLFIOEUFTUHO-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCc1c[nH+]cn1C[C@H]([NH3+])CC 133529709 573414471 /nfs/dbraw/zinc/41/44/71/573414471.db2.gz XNSPSUNFFAXHMX-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP Nc1cc(C[C@@H]([NH3+])C2CCC2)cc[nH+]1 83121443 573414475 /nfs/dbraw/zinc/41/44/75/573414475.db2.gz CKJXNZYZEBKWOQ-SNVBAGLBSA-N 2 1 191.278 1.334 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[C@H]([NH3+])C1 86410073 573415053 /nfs/dbraw/zinc/41/50/53/573415053.db2.gz YROYPKPCYPHSMV-WPRPVWTQSA-N 2 1 168.284 1.351 10 0 ADAEMP CCCc1c[nH+]cn1C[C@@H]([NH3+])C(C)C 133538272 573415137 /nfs/dbraw/zinc/41/51/37/573415137.db2.gz QLNSTFNEINATME-LLVKDONJSA-N 2 1 195.310 1.819 10 0 ADAEMP C[C@@H]([NH3+])Cn1c[nH+]cc1CC(C)(C)C 133524501 573415247 /nfs/dbraw/zinc/41/52/47/573415247.db2.gz KGRBCYZCHSIWQI-SECBINFHSA-N 2 1 195.310 1.819 10 0 ADAEMP C/C=C\C[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 308387594 573415320 /nfs/dbraw/zinc/41/53/20/573415320.db2.gz PQWIYVSAVNWWKT-JXZKHDOVSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]cc1CC(C)C 133531004 573415341 /nfs/dbraw/zinc/41/53/41/573415341.db2.gz VDKFQWNXNCJFMJ-JTQLQIEISA-N 2 1 195.310 1.819 10 0 ADAEMP CC[C@@H](C)c1c[nH+]cn1CCC[NH3+] 133599493 573415379 /nfs/dbraw/zinc/41/53/79/573415379.db2.gz UZMYSISPWGQBPX-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86409667 573415472 /nfs/dbraw/zinc/41/54/72/573415472.db2.gz FFPGLWBNTDZFHU-VHSXEESVSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@@H]1CC[C@H]([NH3+])C1 86410154 573415584 /nfs/dbraw/zinc/41/55/84/573415584.db2.gz PVDUBCHJSDZVHP-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C1CCCC1)[C@@H]1CC[C@H]([NH3+])C1 86410095 573415610 /nfs/dbraw/zinc/41/56/10/573415610.db2.gz YJSKOHQKAGALAV-GXSJLCMTSA-N 2 1 182.311 1.741 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C[NH3+])CCC1(C)C 259442304 573415634 /nfs/dbraw/zinc/41/56/34/573415634.db2.gz OOYQSWCISGLHRE-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86410142 573415655 /nfs/dbraw/zinc/41/56/55/573415655.db2.gz FPPXHEBSXKROIM-GARJFASQSA-N 2 1 184.327 1.987 10 0 ADAEMP CCCc1c[nH+]cn1C[C@H](C)C[NH2+]C 133567319 573415689 /nfs/dbraw/zinc/41/56/89/573415689.db2.gz GQRBJPLFFMGJNK-SNVBAGLBSA-N 2 1 195.310 1.691 10 0 ADAEMP CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86431406 573415697 /nfs/dbraw/zinc/41/56/97/573415697.db2.gz PLUHRLPSWAKRTI-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@](C)(F)C[NH3+])C1 257811198 573415716 /nfs/dbraw/zinc/41/57/16/573415716.db2.gz AZGNRRIGOVOJOI-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP [NH3+]C[C@@H](C1CC1)n1c[nH+]cc1C1CC1 133541411 573415795 /nfs/dbraw/zinc/41/57/95/573415795.db2.gz OGHYQRPSQLOIOB-JTQLQIEISA-N 2 1 191.278 1.670 10 0 ADAEMP [NH3+][C@H](Cn1c[nH+]cc1C1CC1)C1CC1 133565268 573415837 /nfs/dbraw/zinc/41/58/37/573415837.db2.gz RUSKOBHGEKVVSZ-SNVBAGLBSA-N 2 1 191.278 1.498 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H]2CCC[C@@H]21 308387461 573415863 /nfs/dbraw/zinc/41/58/63/573415863.db2.gz VNMMENWXCYXMCW-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])C1 86410089 573416020 /nfs/dbraw/zinc/41/60/20/573416020.db2.gz MGAIZMKKWDLRMF-UWVGGRQHSA-N 2 1 170.300 1.597 10 0 ADAEMP CC(C)[C@@H]([NH3+])Cn1c[nH+]cc1C1CC1 133538716 573416028 /nfs/dbraw/zinc/41/60/28/573416028.db2.gz DDYJXSFKYBCTPI-JTQLQIEISA-N 2 1 193.294 1.744 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86410068 573417270 /nfs/dbraw/zinc/41/72/70/573417270.db2.gz ZYGVKFGRKLPJDV-GXSJLCMTSA-N 2 1 182.311 1.741 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H]2CCC[C@H]21 308387458 573417288 /nfs/dbraw/zinc/41/72/88/573417288.db2.gz VNMMENWXCYXMCW-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 86410129 573418540 /nfs/dbraw/zinc/41/85/40/573418540.db2.gz LKBUIKVSSFNMQL-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCCc1c[nH+]cn1CC(C)(C)[NH3+] 133569565 573418187 /nfs/dbraw/zinc/41/81/87/573418187.db2.gz OJWIIMHKOSBXOK-UHFFFAOYSA-N 2 1 181.283 1.573 10 0 ADAEMP C[C@H](C[NH3+])n1c[nH+]cc1CC(C)(C)C 133528269 573418202 /nfs/dbraw/zinc/41/82/02/573418202.db2.gz QNZDPGBUUPOYND-SECBINFHSA-N 2 1 195.310 1.991 10 0 ADAEMP C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])C1 86410097 573418229 /nfs/dbraw/zinc/41/82/29/573418229.db2.gz YJSKOHQKAGALAV-ONGXEEELSA-N 2 1 182.311 1.741 10 0 ADAEMP CC[C@@H]([NH3+])Cn1c[nH+]cc1CC(C)C 133531235 573418270 /nfs/dbraw/zinc/41/82/70/573418270.db2.gz VDKFQWNXNCJFMJ-SNVBAGLBSA-N 2 1 195.310 1.819 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@](C)(F)C[NH3+])C1 257811199 573418274 /nfs/dbraw/zinc/41/82/74/573418274.db2.gz AZGNRRIGOVOJOI-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@H]2CCCC[N@H+]2C)C[NH2+]1 258336821 573418330 /nfs/dbraw/zinc/41/83/30/573418330.db2.gz XMSQCHYFTNFUJW-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@@H]2CCCC[N@H+]2C)C[NH2+]1 258336828 573418510 /nfs/dbraw/zinc/41/85/10/573418510.db2.gz XMSQCHYFTNFUJW-WOPDTQHZSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86410346 573420071 /nfs/dbraw/zinc/42/00/71/573420071.db2.gz WCCUCNIAOOUZHC-GARJFASQSA-N 2 1 184.327 1.843 10 0 ADAEMP C[N@@H+](CC1=CC[C@H]([NH3+])C1)C(C)(C)C 642831995 573420105 /nfs/dbraw/zinc/42/01/05/573420105.db2.gz OMXNGEQESBSKLK-JTQLQIEISA-N 2 1 182.311 1.764 10 0 ADAEMP C[N@@H+]1CC=C(CC[NH2+]C2CCC2)CC1 258024620 573420109 /nfs/dbraw/zinc/42/01/09/573420109.db2.gz JRZNBBNWCHKKQY-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@H]1CCC[C@H]([NH3+])C1 86432715 573421326 /nfs/dbraw/zinc/42/13/26/573421326.db2.gz QPUIXPXPRKCKME-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP Fc1ccc2c[nH+]c(C3C[NH2+]C3)n2c1 257810824 573421376 /nfs/dbraw/zinc/42/13/76/573421376.db2.gz ASGBLKVMDKZMBN-UHFFFAOYSA-N 2 1 191.209 1.160 10 0 ADAEMP CC[N@H+]1CCC=C(CC[NH+](C)C)C1 258024542 573421205 /nfs/dbraw/zinc/42/12/05/573421205.db2.gz JQZWOHHTKLPNHF-UHFFFAOYSA-N 2 1 182.311 1.590 10 0 ADAEMP CC[NH2+]CCn1c[nH+]cc1C1CCC1 133681059 573421207 /nfs/dbraw/zinc/42/12/07/573421207.db2.gz XBYGBRUBFWOUNF-UHFFFAOYSA-N 2 1 193.294 1.760 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC[C@H]([NH3+])C2CC2)C1 130003813 573421262 /nfs/dbraw/zinc/42/12/62/573421262.db2.gz IYCGLTHQNWRIAX-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])C1 86431644 573421270 /nfs/dbraw/zinc/42/12/70/573421270.db2.gz LMEUFBKFYLEMCX-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](CC1CCCC1)[C@@H]1CC[C@H]([NH3+])C1 86432873 573422208 /nfs/dbraw/zinc/42/22/08/573422208.db2.gz JKILUEAPCMKFLX-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](CC[C@H]2C=CCC2)C1 308381910 573422235 /nfs/dbraw/zinc/42/22/35/573422235.db2.gz WYOBPEZIGWAORS-NWDGAFQWSA-N 2 1 194.322 1.623 10 0 ADAEMP CC[N@@H+](CC1C[NH2+]C1)C(C)(C)C 394318966 573422295 /nfs/dbraw/zinc/42/22/95/573422295.db2.gz BXDIFSIWRNIFEV-UHFFFAOYSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC[C@H]([NH3+])C1CC1 130025859 573422452 /nfs/dbraw/zinc/42/24/52/573422452.db2.gz XBUBGTDZRGBTJR-CABZTGNLSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@@H](C[NH3+])C(C)(C)[N@H+]1C 107220471 573422490 /nfs/dbraw/zinc/42/24/90/573422490.db2.gz KUYRDHRFZRHYGC-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C1CC1 130018037 573422505 /nfs/dbraw/zinc/42/25/05/573422505.db2.gz IANKTPXRKKXHGT-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@H]1C[C@H](C)[N@@H+](C(C)C)C1 107220546 573422530 /nfs/dbraw/zinc/42/25/30/573422530.db2.gz GFEJRXLDLOEZSF-IUCAKERBSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@H]1C[C@H](C)[N@H+](C(C)C)C1 107220546 573422535 /nfs/dbraw/zinc/42/25/35/573422535.db2.gz GFEJRXLDLOEZSF-IUCAKERBSA-N 2 1 156.273 1.077 10 0 ADAEMP CCC[N@@H+](CC)CC[C@H]([NH3+])C1CC1 130015607 573422842 /nfs/dbraw/zinc/42/28/42/573422842.db2.gz NZNIMMXEIMXIQB-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)c1c[nH+]cn1C[C@@H](C)[NH3+] 133620111 573422581 /nfs/dbraw/zinc/42/25/81/573422581.db2.gz FKYYPKHAYPAYSJ-DTWKUNHWSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 86433011 573422646 /nfs/dbraw/zinc/42/26/46/573422646.db2.gz UHKYQRBDRHBAKC-NOOOWODRSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86432909 573422708 /nfs/dbraw/zinc/42/27/08/573422708.db2.gz ZWVHXTQACDIIMS-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](CC[C@H]2C=CCC2)C1 308381911 573422733 /nfs/dbraw/zinc/42/27/33/573422733.db2.gz WYOBPEZIGWAORS-RYUDHWBXSA-N 2 1 194.322 1.623 10 0 ADAEMP C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 86432660 573422756 /nfs/dbraw/zinc/42/27/56/573422756.db2.gz VBJFTHWXRGYQKV-WISYIIOYSA-N 2 1 196.338 1.987 10 0 ADAEMP Cc1c[nH]c(N2CC[C@@H]([NH3+])C[C@@H]2C)[nH+]1 235593860 573422759 /nfs/dbraw/zinc/42/27/59/573422759.db2.gz PERFLMCOZDZJHD-DTWKUNHWSA-N 2 1 194.282 1.034 10 0 ADAEMP CCC[N@@H+](CCOCC[NH3+])C(C)C 86435374 573422881 /nfs/dbraw/zinc/42/28/81/573422881.db2.gz XTMSKDBICRDEQF-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP 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ADAEMP CC[C@@H]1[C@H]([NH2+]C)CC[N@@H+]1C1CC1 107224012 573431661 /nfs/dbraw/zinc/43/16/61/573431661.db2.gz BNJLTPWEIOQNBK-NXEZZACHSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@@H]1[C@H]([NH2+]C)CC[N@H+]1C1CC1 107224012 573431666 /nfs/dbraw/zinc/43/16/66/573431666.db2.gz BNJLTPWEIOQNBK-NXEZZACHSA-N 2 1 168.284 1.221 10 0 ADAEMP CC1(C)C[C@H](C[NH3+])C[N@H+]1C1CC1 107223620 573431672 /nfs/dbraw/zinc/43/16/72/573431672.db2.gz SCTBJLJUVKTVLB-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[N@@H+](C)CC[C@]12CCC[NH2+]C2 107223653 573431746 /nfs/dbraw/zinc/43/17/46/573431746.db2.gz GCDRPUICOVOBPX-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@H]2CC[N@@H+]1C 107223848 573431788 /nfs/dbraw/zinc/43/17/88/573431788.db2.gz VJROIMIZZLSJPJ-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CC[C@H]2CC[N@H+]1C 107223848 573431792 /nfs/dbraw/zinc/43/17/92/573431792.db2.gz VJROIMIZZLSJPJ-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@@H+]1C[C@@H]2CC[NH2+][C@H]2[C@@H]1C 107223892 573431905 /nfs/dbraw/zinc/43/19/05/573431905.db2.gz DAUQOQRZEUNBQL-GUBZILKMSA-N 2 1 168.284 1.077 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[NH2+][C@H]2[C@@H]1C 107223892 573431912 /nfs/dbraw/zinc/43/19/12/573431912.db2.gz DAUQOQRZEUNBQL-GUBZILKMSA-N 2 1 168.284 1.077 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C2CC2)CC1 107224025 573431971 /nfs/dbraw/zinc/43/19/71/573431971.db2.gz NGWDVSKRQVIQBV-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CC[C@H]([NH3+])C1CC1 130032632 573432154 /nfs/dbraw/zinc/43/21/54/573432154.db2.gz POURAKGVLKXHML-NEPJUHHUSA-N 2 1 196.338 1.988 10 0 ADAEMP C1C[NH+]=C(N[C@@H]2CC[N@H+]3CCC[C@H]23)C1 86455139 573432178 /nfs/dbraw/zinc/43/21/78/573432178.db2.gz MJTQUOPEJYYSNO-NXEZZACHSA-N 2 1 193.294 1.005 10 0 ADAEMP C[C@@H]1[C@H]2CC[NH2+][C@@H]2C(C)(C)[N@@H+]1C 107223836 573432187 /nfs/dbraw/zinc/43/21/87/573432187.db2.gz ZRBDCDUXGMSEPO-HLTSFMKQSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@@H]1[C@H]2CC[NH2+][C@@H]2C(C)(C)[N@H+]1C 107223836 573432192 /nfs/dbraw/zinc/43/21/92/573432192.db2.gz ZRBDCDUXGMSEPO-HLTSFMKQSA-N 2 1 168.284 1.077 10 0 ADAEMP CC[C@H]1[C@H](C[NH3+])CC[N@H+]1C1CC1 107223944 573432346 /nfs/dbraw/zinc/43/23/46/573432346.db2.gz AWTHGTDHLAPXHY-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1[C@H]([NH2+]C)CC[N@@H+]1C1CC1 107224015 573432391 /nfs/dbraw/zinc/43/23/91/573432391.db2.gz BNJLTPWEIOQNBK-ZJUUUORDSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@H]1[C@H]([NH2+]C)CC[N@H+]1C1CC1 107224015 573432394 /nfs/dbraw/zinc/43/23/94/573432394.db2.gz BNJLTPWEIOQNBK-ZJUUUORDSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@H]1[C@@H]([NH2+]C)CC[N@@H+]1C1CC1 107224020 573432460 /nfs/dbraw/zinc/43/24/60/573432460.db2.gz BNJLTPWEIOQNBK-UWVGGRQHSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@H]1[C@@H]([NH2+]C)CC[N@H+]1C1CC1 107224020 573432467 /nfs/dbraw/zinc/43/24/67/573432467.db2.gz BNJLTPWEIOQNBK-UWVGGRQHSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)[N@@H+]1C[C@@H]2CC[NH2+][C@H]2[C@H]1C 107223889 573432490 /nfs/dbraw/zinc/43/24/90/573432490.db2.gz DAUQOQRZEUNBQL-UTLUCORTSA-N 2 1 168.284 1.077 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[NH2+][C@H]2[C@H]1C 107223889 573432493 /nfs/dbraw/zinc/43/24/93/573432493.db2.gz DAUQOQRZEUNBQL-UTLUCORTSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@H](C[NH2+]C1CC1)[NH2+]CC1CCCC1 162376667 573432514 /nfs/dbraw/zinc/43/25/14/573432514.db2.gz WCQHHXBSSQKDQV-SNVBAGLBSA-N 2 1 196.338 1.907 10 0 ADAEMP CC1(C)C[C@@H](C[NH3+])C[N@H+]1C1CC1 107223624 573432555 /nfs/dbraw/zinc/43/25/55/573432555.db2.gz SCTBJLJUVKTVLB-QMMMGPOBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+]1CC[C@H](NC2=[NH+]CCCCC2)C1 86454924 573432603 /nfs/dbraw/zinc/43/26/03/573432603.db2.gz HVSQAEOFLNJQMV-JTQLQIEISA-N 2 1 195.310 1.253 10 0 ADAEMP CC[C@@H]1[C@H](C[NH3+])CC[N@H+]1C1CC1 107223943 573432624 /nfs/dbraw/zinc/43/26/24/573432624.db2.gz AWTHGTDHLAPXHY-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]C/C=C\[C@@H]1CCC[N@H+](C(C)C)C1 258031373 573432633 /nfs/dbraw/zinc/43/26/33/573432633.db2.gz CAVLUNALWVLLMO-TXNVCOODSA-N 2 1 196.338 1.882 10 0 ADAEMP C[C@@H]1C[C@]2(CCC[NH2+]C2)C[N@H+]1C 107223644 573432652 /nfs/dbraw/zinc/43/26/52/573432652.db2.gz RAKOWECRHSYOEZ-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[C@H](CC[NH3+])C[N@H+]1C1CC1 107223932 573432751 /nfs/dbraw/zinc/43/27/51/573432751.db2.gz GIKXXWMNJJTDRG-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1[N@@H+](C)CC[C@@]12CCC[NH2+]C2 107223666 573432797 /nfs/dbraw/zinc/43/27/97/573432797.db2.gz GCDRPUICOVOBPX-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C1CC1 107223963 573432958 /nfs/dbraw/zinc/43/29/58/573432958.db2.gz ZIJZSKSPZPLBFX-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@@H](CC[NH2+]Cc1ccco1)C1CC1 130036517 573432978 /nfs/dbraw/zinc/43/29/78/573432978.db2.gz WOZAMQBSZSCMTP-NSHDSACASA-N 2 1 194.278 1.497 10 0 ADAEMP C[C@@H]1[N@@H+](C)CCC[C@]12CC[NH2+]C2 107223916 573433014 /nfs/dbraw/zinc/43/30/14/573433014.db2.gz QSKYBSRIIIGXHA-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1[NH2+]C[C@@H]2CCC[N@H+]3CCC[C@@H]1[C@@H]23 238394385 573433017 /nfs/dbraw/zinc/43/30/17/573433017.db2.gz CPDUVZYZIPKSNT-FIQHERPVSA-N 2 1 194.322 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C2CC2)CC1 107224023 573433129 /nfs/dbraw/zinc/43/31/29/573433129.db2.gz NGWDVSKRQVIQBV-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1(C)C 107223827 573433154 /nfs/dbraw/zinc/43/31/54/573433154.db2.gz QQXYXHUANIHXAL-RKDXNWHRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC[C@H]([NH3+])C1CC1 130032164 573433155 /nfs/dbraw/zinc/43/31/55/573433155.db2.gz GQPBAHROLFIVPN-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1(C)C 107223827 573433161 /nfs/dbraw/zinc/43/31/61/573433161.db2.gz QQXYXHUANIHXAL-RKDXNWHRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]2C[NH2+]C(C)(C)C2)C1 258031310 573433208 /nfs/dbraw/zinc/43/32/08/573433208.db2.gz BZUNEMUSOIWQBA-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@]2(CCC[NH2+]C2)C[N@H+]1C 107223648 573433266 /nfs/dbraw/zinc/43/32/66/573433266.db2.gz RAKOWECRHSYOEZ-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[C@@]2(CCC[NH2+]C2)C[N@H+]1C 107223637 573433317 /nfs/dbraw/zinc/43/33/17/573433317.db2.gz RAKOWECRHSYOEZ-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CC2(CC[NH2+]CC2)C[N@H+]1C 107223674 573434112 /nfs/dbraw/zinc/43/41/12/573434112.db2.gz DQPGHVSSYUSBLJ-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[C@H](CC[NH3+])C[N@H+]1C1CC1 107223930 573433988 /nfs/dbraw/zinc/43/39/88/573433988.db2.gz GIKXXWMNJJTDRG-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1[C@@H](C[NH3+])CC[N@H+]1C1CC1 107223952 573434986 /nfs/dbraw/zinc/43/49/86/573434986.db2.gz AWTHGTDHLAPXHY-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]C/C=C\[C@H]1CCC[N@H+](C(C)C)C1 258031372 573435292 /nfs/dbraw/zinc/43/52/92/573435292.db2.gz CAVLUNALWVLLMO-RNZFLTOJSA-N 2 1 196.338 1.882 10 0 ADAEMP C[C@@H]1C(C)(C)C=C[C@H]([NH3+])[C@@]1(C)[NH3+] 238394815 573435295 /nfs/dbraw/zinc/43/52/95/573435295.db2.gz PMMWYNBZBNQNJS-WEDXCCLWSA-N 2 1 168.284 1.263 10 0 ADAEMP C[NH+](C)C(C)(C)CNC1=[NH+]CCCC1 86455179 573435344 /nfs/dbraw/zinc/43/53/44/573435344.db2.gz UBWYCHFLKPMZBV-UHFFFAOYSA-N 2 1 197.326 1.499 10 0 ADAEMP C[C@@H]1C[C@@]2(CCC[NH2+]C2)C[N@H+]1C1CC1 107235726 573436159 /nfs/dbraw/zinc/43/61/59/573436159.db2.gz SJJMTASWYSEJAV-ZYHUDNBSSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H](CNC1=[NH+]CCCC1)[NH+](C)C 86455271 573435399 /nfs/dbraw/zinc/43/53/99/573435399.db2.gz FYJBLTWQXGWQGC-SECBINFHSA-N 2 1 183.299 1.109 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@](F)(C[NH3+])C1 118866249 573435463 /nfs/dbraw/zinc/43/54/63/573435463.db2.gz IBGGWXOGALBXIZ-VIFPVBQESA-N 2 1 174.263 1.158 10 0 ADAEMP CCC[C@H](C[NH2+]C1CC1)[NH2+]C 259102854 573435543 /nfs/dbraw/zinc/43/55/43/573435543.db2.gz AKRFYORUTIMBAW-SECBINFHSA-N 2 1 156.273 1.127 10 0 ADAEMP C[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C[N@H+]1C1CC1 107227990 573435600 /nfs/dbraw/zinc/43/56/00/573435600.db2.gz LWEOTZTTZXXRGE-DVVUODLYSA-N 2 1 180.295 1.221 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@H]2C[N@H+]1C1CC1 107235872 573435630 /nfs/dbraw/zinc/43/56/30/573435630.db2.gz LIEFQBAVPAZIDX-MVWJERBFSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@@]2(CCC[NH2+]C2)CC[N@H+]1C 107229695 573435668 /nfs/dbraw/zinc/43/56/68/573435668.db2.gz QHGQYHLOJZHDTM-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+]1CCCC[C@@]12C[NH2+]C1(CC1)C2 257813088 573435682 /nfs/dbraw/zinc/43/56/82/573435682.db2.gz BWGALMWRXCEBRO-LLVKDONJSA-N 2 1 180.295 1.367 10 0 ADAEMP C[N@H+]1CCCC[C@@]12C[NH2+]C1(CC1)C2 257813088 573435684 /nfs/dbraw/zinc/43/56/84/573435684.db2.gz BWGALMWRXCEBRO-LLVKDONJSA-N 2 1 180.295 1.367 10 0 ADAEMP CC[C@@H]1[N@@H+](C)CC[C@@]12CCC[NH2+]C2 107229677 573435775 /nfs/dbraw/zinc/43/57/75/573435775.db2.gz XKJGUXZXXRHIDW-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[C@@H](C[NH2+]C1CC1)[NH2+]C 259102856 573435802 /nfs/dbraw/zinc/43/58/02/573435802.db2.gz AKRFYORUTIMBAW-VIFPVBQESA-N 2 1 156.273 1.127 10 0 ADAEMP C1C[NH+]=C(N[C@@H]2CC[N@@H+](C3CC3)C2)C1 86455213 573435911 /nfs/dbraw/zinc/43/59/11/573435911.db2.gz NGYMELORKZHXTB-SECBINFHSA-N 2 1 193.294 1.005 10 0 ADAEMP C1C[NH+]=C(N[C@@H]2CC[N@H+](C3CC3)C2)C1 86455213 573435914 /nfs/dbraw/zinc/43/59/14/573435914.db2.gz NGYMELORKZHXTB-SECBINFHSA-N 2 1 193.294 1.005 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CCC[NH2+][C@@H]2C1 107229915 573438581 /nfs/dbraw/zinc/43/85/81/573438581.db2.gz LZNIZDMPGKKHFI-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+]1CCCC[C@]12C[NH2+]C1(CC1)C2 257813089 573435934 /nfs/dbraw/zinc/43/59/34/573435934.db2.gz BWGALMWRXCEBRO-NSHDSACASA-N 2 1 180.295 1.367 10 0 ADAEMP C[N@H+]1CCCC[C@]12C[NH2+]C1(CC1)C2 257813089 573435938 /nfs/dbraw/zinc/43/59/38/573435938.db2.gz BWGALMWRXCEBRO-NSHDSACASA-N 2 1 180.295 1.367 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CC1 107227966 573435980 /nfs/dbraw/zinc/43/59/80/573435980.db2.gz GCRAWCALORWMCI-DVVUODLYSA-N 2 1 180.295 1.079 10 0 ADAEMP Cc1[nH]c(C[C@@H]2CCC[NH2+]C2)[nH+]c1C 257812963 573435989 /nfs/dbraw/zinc/43/59/89/573435989.db2.gz BYUDRIVQRJZBCJ-JTQLQIEISA-N 2 1 193.294 1.569 10 0 ADAEMP C[C@@H]1[C@@H]2CC[NH2+]C[C@@H]2C[N@H+]1C1CC1 107227927 573436031 /nfs/dbraw/zinc/43/60/31/573436031.db2.gz WTYZIUXRIYEIDS-KKZNHRDASA-N 2 1 180.295 1.079 10 0 ADAEMP C1C[NH2+]C[C@@]2(C1)CCC[N@H+](C1CC1)C2 107235749 573436091 /nfs/dbraw/zinc/43/60/91/573436091.db2.gz CTSPRWQHAZEVOT-GFCCVEGCSA-N 2 1 194.322 1.614 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@](C)(F)CC[NH3+])C1 257813098 573439393 /nfs/dbraw/zinc/43/93/93/573439393.db2.gz BWMJLVWHWOFKBK-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C1C[C@@H]2C[N@@H+](C3CC3)CC[C@@H]2C[NH2+]1 107227949 573436624 /nfs/dbraw/zinc/43/66/24/573436624.db2.gz XLIUKLFMHMIGBU-NXEZZACHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@](C)(F)CC[NH3+])C1 257813099 573436638 /nfs/dbraw/zinc/43/66/38/573436638.db2.gz BWMJLVWHWOFKBK-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP [NH3+]CC[C@@H]1CCCC[N@H+]2CCC[C@@H]12 257813145 573436665 /nfs/dbraw/zinc/43/66/65/573436665.db2.gz BYOQLRASHLAPDV-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@H+](C)[C@@H](C[NH2+]C)CC(C)C 258655413 573436678 /nfs/dbraw/zinc/43/66/78/573436678.db2.gz RXFYMAPKZLJEQH-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C[C@@H]1CC2(CC[NH2+]CC2)C[N@H+]1C1CC1 107235769 573436832 /nfs/dbraw/zinc/43/68/32/573436832.db2.gz ZEPTUFHKXSMVMW-SNVBAGLBSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@@H+](C)[C@@H](C[NH2+]C)CC(C)C 258655413 573436682 /nfs/dbraw/zinc/43/66/82/573436682.db2.gz RXFYMAPKZLJEQH-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C1C[C@@H]2C[N@@H+](C3CC3)CC[C@H]2C[NH2+]1 107227953 573436697 /nfs/dbraw/zinc/43/66/97/573436697.db2.gz XLIUKLFMHMIGBU-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+][C@H]2CC[N@@H+](C3CC3)CC[C@H]2C1 107235879 573437332 /nfs/dbraw/zinc/43/73/32/573437332.db2.gz KMTNGMUCAQKEAH-PWSUYJOCSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH2+][C@H](C)[C@@H](C)CCc1[nH+]ccn1C 126207004 573437409 /nfs/dbraw/zinc/43/74/09/573437409.db2.gz CFUJXRHWWUOXPA-VHSXEESVSA-N 2 1 195.310 1.597 10 0 ADAEMP CCCC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](C)C1 308582085 573437423 /nfs/dbraw/zinc/43/74/23/573437423.db2.gz PUAZMAJTPMDOQH-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP C1C[N@H+](C2CC2)CC2(C1)CC[NH2+]CC2 107235781 573437449 /nfs/dbraw/zinc/43/74/49/573437449.db2.gz FHRWXTDAPVYVKC-UHFFFAOYSA-N 2 1 194.322 1.614 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCC1 86455196 573438582 /nfs/dbraw/zinc/43/85/82/573438582.db2.gz FDABEVYQJYLEEB-SNVBAGLBSA-N 2 1 195.310 1.253 10 0 ADAEMP [NH3+]CC[C@H]1CCCC[N@H+]2CCC[C@H]12 257813143 573437597 /nfs/dbraw/zinc/43/75/97/573437597.db2.gz BYOQLRASHLAPDV-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CCC[NH2+][C@H]2[C@@H]1C 107229947 573437677 /nfs/dbraw/zinc/43/76/77/573437677.db2.gz HNCLMLWZPMIYCI-DCAQKATOSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H](CNC1=[NH+]CCCCC1)[NH+](C)C 86455268 573437780 /nfs/dbraw/zinc/43/77/80/573437780.db2.gz TVGRJIHRSAXTGK-JTQLQIEISA-N 2 1 197.326 1.499 10 0 ADAEMP CCc1[nH]cc(C[C@@H]2CCC[NH2+]C2)[nH+]1 257813344 573437801 /nfs/dbraw/zinc/43/78/01/573437801.db2.gz CCTNRVSEKDFPJE-VIFPVBQESA-N 2 1 193.294 1.514 10 0 ADAEMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCC2)C1 86455191 573437812 /nfs/dbraw/zinc/43/78/12/573437812.db2.gz HEWZANLYBWWYFI-JTQLQIEISA-N 2 1 195.310 1.110 10 0 ADAEMP CC(C)[C@@H]1[N@@H+](C)CC[C@]12CCC[NH2+]C2 107237424 573437872 /nfs/dbraw/zinc/43/78/72/573437872.db2.gz LZSAXDQEDUYMTR-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+]CC[C@H]1CCCC[N@H+]2CCC[C@@H]12 257813144 573437924 /nfs/dbraw/zinc/43/79/24/573437924.db2.gz BYOQLRASHLAPDV-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C 107229762 573437932 /nfs/dbraw/zinc/43/79/32/573437932.db2.gz MSVZLCWABJJMPN-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@]2(CCC[NH2+]C2)C(C)(C)[N@H+]1C 107237417 573438086 /nfs/dbraw/zinc/43/80/86/573438086.db2.gz YWRGGXPSJJBILU-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1[N@@H+](C)CC[C@]12CCC[NH2+]C2 107229668 573438200 /nfs/dbraw/zinc/43/82/00/573438200.db2.gz XKJGUXZXXRHIDW-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]1CNC1=[NH+]CCC1 86455196 573438573 /nfs/dbraw/zinc/43/85/73/573438573.db2.gz FDABEVYQJYLEEB-SNVBAGLBSA-N 2 1 195.310 1.253 10 0 ADAEMP CC[N@H+](C)[C@H](C[NH2+]C)CC(C)C 258655411 573438261 /nfs/dbraw/zinc/43/82/61/573438261.db2.gz RXFYMAPKZLJEQH-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2CCC[NH2+][C@@H]2C1 107229915 573438574 /nfs/dbraw/zinc/43/85/74/573438574.db2.gz LZNIZDMPGKKHFI-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](C)[C@H](C[NH2+]C)CC(C)C 258655411 573438268 /nfs/dbraw/zinc/43/82/68/573438268.db2.gz RXFYMAPKZLJEQH-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP C[C@H]([NH2+]CC[C@H]1CC[N@@H+](C)C1)C1CC1 308582448 573438310 /nfs/dbraw/zinc/43/83/10/573438310.db2.gz QBKGGEROLKTCDY-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[NH+]=C(N[C@H]2CC[N@H+]3CCC[C@H]23)C1 86455141 573438358 /nfs/dbraw/zinc/43/83/58/573438358.db2.gz MJTQUOPEJYYSNO-VHSXEESVSA-N 2 1 193.294 1.005 10 0 ADAEMP C[C@H]1C[C@@]2(CCC[NH2+]C2)CC[N@H+]1C 107229699 573438381 /nfs/dbraw/zinc/43/83/81/573438381.db2.gz QHGQYHLOJZHDTM-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1C[C@@]2(CCC[NH2+]C2)C(C)(C)[N@H+]1C 107237410 573438453 /nfs/dbraw/zinc/43/84/53/573438453.db2.gz YWRGGXPSJJBILU-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH]c(C[C@H]2CCC[NH2+]C2)[nH+]c1C 257812966 573438462 /nfs/dbraw/zinc/43/84/62/573438462.db2.gz BYUDRIVQRJZBCJ-SNVBAGLBSA-N 2 1 193.294 1.569 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CC1 107227959 573438486 /nfs/dbraw/zinc/43/84/86/573438486.db2.gz GCRAWCALORWMCI-FBIMIBRVSA-N 2 1 180.295 1.079 10 0 ADAEMP [NH3+]CC[C@@H]1CCCC[N@H+]2CCC[C@H]12 257813146 573438494 /nfs/dbraw/zinc/43/84/94/573438494.db2.gz BYOQLRASHLAPDV-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1C[C@]2(CCC[NH2+]C2)C[N@H+]1C1CC1 107235742 573438530 /nfs/dbraw/zinc/43/85/30/573438530.db2.gz SJJMTASWYSEJAV-JQWIXIFHSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[NH2+]C[C@@H](C1CCCC1)[NH+](C)C 259450449 573438722 /nfs/dbraw/zinc/43/87/22/573438722.db2.gz JEYITUUULXEJNQ-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H](CNC1=[NH+]CCCC1)[NH+](C)C 86455270 573439189 /nfs/dbraw/zinc/43/91/89/573439189.db2.gz FYJBLTWQXGWQGC-VIFPVBQESA-N 2 1 183.299 1.109 10 0 ADAEMP C[NH+](C)C(C)(C)CNC1=[NH+]CCC1 86455177 573438750 /nfs/dbraw/zinc/43/87/50/573438750.db2.gz GKXAGTVAIOIEMO-UHFFFAOYSA-N 2 1 183.299 1.109 10 0 ADAEMP CC[C@H]1[N@@H+](C)CC[C@@]12CCC[NH2+]C2 107229674 573438751 /nfs/dbraw/zinc/43/87/51/573438751.db2.gz XKJGUXZXXRHIDW-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1(C)C 259448773 573438767 /nfs/dbraw/zinc/43/87/67/573438767.db2.gz PASNUCRFLXMWFI-VIFPVBQESA-N 2 1 182.311 1.469 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](C)C1 308582086 573438791 /nfs/dbraw/zinc/43/87/91/573438791.db2.gz PUAZMAJTPMDOQH-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H](CNC1=[NH+]CCCCC1)[NH+](C)C 86455269 573438800 /nfs/dbraw/zinc/43/88/00/573438800.db2.gz TVGRJIHRSAXTGK-SNVBAGLBSA-N 2 1 197.326 1.499 10 0 ADAEMP C[C@@H]1[C@H]2CC[NH2+]C[C@@H]2C[N@H+]1C1CC1 107227932 573438810 /nfs/dbraw/zinc/43/88/10/573438810.db2.gz WTYZIUXRIYEIDS-FXPVBKGRSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]([NH2+]CC[C@@H]1CC[N@@H+](C)C1)C1CC1 308582446 573438839 /nfs/dbraw/zinc/43/88/39/573438839.db2.gz QBKGGEROLKTCDY-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@](C)(F)CC[NH3+])C1 257813096 573438988 /nfs/dbraw/zinc/43/89/88/573438988.db2.gz BWMJLVWHWOFKBK-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C1C[NH+]=C(N[C@@H]2CC[N@H+]3CCC[C@@H]23)C1 86455140 573438970 /nfs/dbraw/zinc/43/89/70/573438970.db2.gz MJTQUOPEJYYSNO-ZJUUUORDSA-N 2 1 193.294 1.005 10 0 ADAEMP C[C@@H]1C[C@]2(CCC[NH2+]C2)CC[N@H+]1C 107229703 573438980 /nfs/dbraw/zinc/43/89/80/573438980.db2.gz QHGQYHLOJZHDTM-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@]2(CCC[NH2+]C2)C1(C)C 107229709 573441159 /nfs/dbraw/zinc/44/11/59/573441159.db2.gz JTNBYAFSLBQMBJ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[C@@H]1[C@H]2C[NH2+]CC[C@@H]2C[N@H+]1C 107229757 573439068 /nfs/dbraw/zinc/43/90/68/573439068.db2.gz XJJMSTMMQUGKLZ-OUAUKWLOSA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C1CC1 107235815 573439222 /nfs/dbraw/zinc/43/92/22/573439222.db2.gz RQFMNYMXVVZRIH-FOGDFJRCSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1[C@H]2CC[NH2+]C[C@@H]2C(C)(C)[N@H+]1C 107229743 573439266 /nfs/dbraw/zinc/43/92/66/573439266.db2.gz ILNCCAAIZLRYKB-BBBLOLIVSA-N 2 1 182.311 1.325 10 0 ADAEMP CCc1[nH+]c(C[C@@H]2CC[NH2+]C2)[nH]c1C 257813266 573439275 /nfs/dbraw/zinc/43/92/75/573439275.db2.gz CARHUSWVEVBSLF-VIFPVBQESA-N 2 1 193.294 1.433 10 0 ADAEMP CCc1[nH]c(C[C@@H]2CC[NH2+]C2)[nH+]c1C 257813266 573439282 /nfs/dbraw/zinc/43/92/82/573439282.db2.gz CARHUSWVEVBSLF-VIFPVBQESA-N 2 1 193.294 1.433 10 0 ADAEMP C[C@@H]([NH2+]CC[C@H]1CC[N@@H+](C)C1)C1CC1 308582447 573439299 /nfs/dbraw/zinc/43/92/99/573439299.db2.gz QBKGGEROLKTCDY-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1[N@@H+](C)CCC[C@]12CCC[NH2+]C2 107229686 573439325 /nfs/dbraw/zinc/43/93/25/573439325.db2.gz APLDRJQVFHRZKS-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[C@@H]1[N@@H+](C)CC[C@@]12CCC[NH2+]C2 107237430 573439399 /nfs/dbraw/zinc/43/93/99/573439399.db2.gz LZSAXDQEDUYMTR-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCC2)C1 86455190 573439422 /nfs/dbraw/zinc/43/94/22/573439422.db2.gz HEWZANLYBWWYFI-SNVBAGLBSA-N 2 1 195.310 1.110 10 0 ADAEMP C[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1(C)C 107229712 573439437 /nfs/dbraw/zinc/43/94/37/573439437.db2.gz JTNBYAFSLBQMBJ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[NH+]=C(N[C@H]2CC[N@H+]3CCC[C@@H]23)C1 86455142 573439496 /nfs/dbraw/zinc/43/94/96/573439496.db2.gz MJTQUOPEJYYSNO-UWVGGRQHSA-N 2 1 193.294 1.005 10 0 ADAEMP CCc1[nH]cc(C[C@H]2CCC[NH2+]C2)[nH+]1 257813343 573439559 /nfs/dbraw/zinc/43/95/59/573439559.db2.gz CCTNRVSEKDFPJE-SECBINFHSA-N 2 1 193.294 1.514 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C1CC1 107235820 573439577 /nfs/dbraw/zinc/43/95/77/573439577.db2.gz RQFMNYMXVVZRIH-CKYFFXLPSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H]1C[C@]2(CCC[NH2+]C2)CC[N@H+]1C 107229707 573439666 /nfs/dbraw/zinc/43/96/66/573439666.db2.gz QHGQYHLOJZHDTM-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1[N@@H+](C)CCCC12CC[NH2+]CC2 107229727 573439681 /nfs/dbraw/zinc/43/96/81/573439681.db2.gz TUPRIJQUVZROAD-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@@H+]1CC[C@H]2CCC[NH2+][C@@H]2C1 107229918 573439695 /nfs/dbraw/zinc/43/96/95/573439695.db2.gz LZNIZDMPGKKHFI-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2CCC[NH2+][C@@H]2C1 107229918 573439701 /nfs/dbraw/zinc/43/97/01/573439701.db2.gz LZNIZDMPGKKHFI-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@H+]1C1CC1 107235786 573439713 /nfs/dbraw/zinc/43/97/13/573439713.db2.gz TVKYBHFWJPVOFH-YUSALJHKSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1[C@H]2CCC[NH2+][C@@H]2C[N@H+]1C1CC1 107227995 573439749 /nfs/dbraw/zinc/43/97/49/573439749.db2.gz LWEOTZTTZXXRGE-FBIMIBRVSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1[C@@H]2CC[NH2+]C[C@@H]2C(C)(C)[N@H+]1C 107229738 573439960 /nfs/dbraw/zinc/43/99/60/573439960.db2.gz ILNCCAAIZLRYKB-UTLUCORTSA-N 2 1 182.311 1.325 10 0 ADAEMP C1C[C@H]2CC[N@H+](C3CC3)CC[C@H]2C[NH2+]1 107235803 573440031 /nfs/dbraw/zinc/44/00/31/573440031.db2.gz CEXKDWHKFKFISW-QWRGUYRKSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@H]1[N@@H+](C)CCC[C@]12CCC[NH2+]C2 107229681 573440082 /nfs/dbraw/zinc/44/00/82/573440082.db2.gz APLDRJQVFHRZKS-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC[C@H]([NH3+])C2CC2)C1 130043946 573440163 /nfs/dbraw/zinc/44/01/63/573440163.db2.gz PDZZJWFIKLBCET-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](C)C1 308582084 573440176 /nfs/dbraw/zinc/44/01/76/573440176.db2.gz PUAZMAJTPMDOQH-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]CC[C@@H]2C[N@H+]1C1CC1 107235795 573440195 /nfs/dbraw/zinc/44/01/95/573440195.db2.gz TVKYBHFWJPVOFH-ADEWGFFLSA-N 2 1 194.322 1.469 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CCC[C@H]2C[N@H+]1C 107229898 573441598 /nfs/dbraw/zinc/44/15/98/573441598.db2.gz RPZYTJWJAZOYHJ-HBNTYKKESA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 107229924 573440978 /nfs/dbraw/zinc/44/09/78/573440978.db2.gz JZFAZNBGROITDH-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP C1C[NH2+][C@H]2CC[N@H+](C3CC3)C[C@H]2C1 107228007 573440788 /nfs/dbraw/zinc/44/07/88/573440788.db2.gz JVTBTAMPOQJZMH-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+][C@H]2CC[N@H+](C3CC3)C[C@@H]2C1 107228011 573440805 /nfs/dbraw/zinc/44/08/05/573440805.db2.gz JVTBTAMPOQJZMH-ONGXEEELSA-N 2 1 180.295 1.223 10 0 ADAEMP C[N@H+]1CCC2(CC[NH2+]CC2)C1(C)C 107229735 573440856 /nfs/dbraw/zinc/44/08/56/573440856.db2.gz STWVLSOXXZWUDX-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1C[C@@](C[NH3+])([NH2+]CCC2CC2)[C@@H]1C 308586398 573441624 /nfs/dbraw/zinc/44/16/24/573441624.db2.gz SDUGHTNMYAAEJL-FOGDFJRCSA-N 2 1 196.338 1.750 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2[C@@H]1C 107229942 573440898 /nfs/dbraw/zinc/44/08/98/573440898.db2.gz HNCLMLWZPMIYCI-GARJFASQSA-N 2 1 182.311 1.467 10 0 ADAEMP C1C[NH2+]C[C@]2(C1)CCC[N@H+](C1CC1)C2 107235753 573441075 /nfs/dbraw/zinc/44/10/75/573441075.db2.gz CTSPRWQHAZEVOT-LBPRGKRZSA-N 2 1 194.322 1.614 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2[C@H]1C 107229939 573441092 /nfs/dbraw/zinc/44/10/92/573441092.db2.gz HNCLMLWZPMIYCI-OUAUKWLOSA-N 2 1 182.311 1.467 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2C[NH2+]CC[C@@H]2C1 107229794 573441140 /nfs/dbraw/zinc/44/11/40/573441140.db2.gz JRKRJEYGZNJOEJ-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CC[N@@H+]1C 107229909 573441245 /nfs/dbraw/zinc/44/12/45/573441245.db2.gz PAFOVMUPDIQHHB-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CC[N@H+]1C 107229909 573441248 /nfs/dbraw/zinc/44/12/48/573441248.db2.gz PAFOVMUPDIQHHB-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C 107229771 573441279 /nfs/dbraw/zinc/44/12/79/573441279.db2.gz MSVZLCWABJJMPN-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H]1[N@@H+](C)CCC12CC[NH2+]CC2 107229719 573441317 /nfs/dbraw/zinc/44/13/17/573441317.db2.gz ZPQRTLHBPHRPSU-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1[N@@H+](C)CCC[C@@]12CCC[NH2+]C2 107229691 573441507 /nfs/dbraw/zinc/44/15/07/573441507.db2.gz APLDRJQVFHRZKS-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+](C2CC2)CC1 107230081 573441530 /nfs/dbraw/zinc/44/15/30/573441530.db2.gz VRXFQGUDTIFDPW-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@H+]1C 107229749 573442387 /nfs/dbraw/zinc/44/23/87/573442387.db2.gz XJJMSTMMQUGKLZ-GMTAPVOTSA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@@H]1C[C@]2(CCC[NH2+]C2)C(C)(C)[N@H+]1C 107237414 573442414 /nfs/dbraw/zinc/44/24/14/573442414.db2.gz YWRGGXPSJJBILU-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCCC[C@H]1[NH3+])C1CC1 308587373 573442553 /nfs/dbraw/zinc/44/25/53/573442553.db2.gz SUHLAADTTVQJGE-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[N@@H+](CC[C@H]([NH3+])C2CC2)C1 130044181 573442853 /nfs/dbraw/zinc/44/28/53/573442853.db2.gz PDZZJWFIKLBCET-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259103149 573442891 /nfs/dbraw/zinc/44/28/91/573442891.db2.gz APPJHLMDXNNJJJ-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@@H]1C[NH2+]Cc2ccc(F)cc21 257813582 573442901 /nfs/dbraw/zinc/44/29/01/573442901.db2.gz CETDPABUUDSLNO-SECBINFHSA-N 2 1 194.253 1.232 10 0 ADAEMP C[NH2+]C[C@H]1C[NH2+]Cc2ccc(F)cc21 257813583 573443640 /nfs/dbraw/zinc/44/36/40/573443640.db2.gz CETDPABUUDSLNO-VIFPVBQESA-N 2 1 194.253 1.232 10 0 ADAEMP CC[C@@H]1[C@@H]2[NH2+]CCC[C@H]2C[N@H+]1C(C)C 107237580 573444020 /nfs/dbraw/zinc/44/40/20/573444020.db2.gz XRNGGIDXTGFEEG-QJPTWQEYSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]CC/C=C\[C@H]1CCC[N@@H+](C)C1 258355501 573444027 /nfs/dbraw/zinc/44/40/27/573444027.db2.gz YVNXHRPKEMAQHG-UUSYTGMJSA-N 2 1 182.311 1.494 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2CC[NH2+]C[C@@H]2CC1 107237536 573444122 /nfs/dbraw/zinc/44/41/22/573444122.db2.gz WAKPCAUJTTVMPN-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[N@H+]1C[C@]2(CCC[NH2+]C2)C[C@@H]1C 107237446 573444161 /nfs/dbraw/zinc/44/41/61/573444161.db2.gz HLXIAVLPEGZJPH-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CC2(CC[NH2+]CC2)C[C@H]1C 107237486 573444271 /nfs/dbraw/zinc/44/42/71/573444271.db2.gz CFRLZSKTMGWBTP-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@H](C1CCCC1)[NH+](C)C 259450446 573444724 /nfs/dbraw/zinc/44/47/24/573444724.db2.gz JEYITUUULXEJNQ-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@H]1[N@@H+](C)CCC12CC[NH2+]CC2 107237472 573444371 /nfs/dbraw/zinc/44/43/71/573444371.db2.gz WOMDBOZTBDWRCM-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@](C[NH3+])([NH2+]CCC2CC2)[C@@H]1C 308586397 573444540 /nfs/dbraw/zinc/44/45/40/573444540.db2.gz SDUGHTNMYAAEJL-CKYFFXLPSA-N 2 1 196.338 1.750 10 0 ADAEMP C[C@H]1[C@H](C)C[C@]1(C[NH3+])[NH2+]CCC1CC1 308586399 573444628 /nfs/dbraw/zinc/44/46/28/573444628.db2.gz SDUGHTNMYAAEJL-JFGNBEQYSA-N 2 1 196.338 1.750 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2CCC[NH2+][C@@H]2[C@@H]1C 107237624 573444680 /nfs/dbraw/zinc/44/46/80/573444680.db2.gz BNCCMSDQMUQCHE-SDDRHHMPSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CCC[NH2+][C@@H]2[C@@H]1C 107237624 573444685 /nfs/dbraw/zinc/44/46/85/573444685.db2.gz BNCCMSDQMUQCHE-SDDRHHMPSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@H+]1C(C)C 107237573 573444812 /nfs/dbraw/zinc/44/48/12/573444812.db2.gz XRNGGIDXTGFEEG-TUAOUCFPSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2CCC[NH2+][C@H]2[C@@H]1C 107237629 573447017 /nfs/dbraw/zinc/44/70/17/573447017.db2.gz BNCCMSDQMUQCHE-SRVKXCTJSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CCC[NH2+][C@H]2[C@@H]1C 107237629 573447020 /nfs/dbraw/zinc/44/70/20/573447020.db2.gz BNCCMSDQMUQCHE-SRVKXCTJSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C(C)(C)C[NH3+])C1 259449678 573447053 /nfs/dbraw/zinc/44/70/53/573447053.db2.gz LWGRWUMKFVXPFU-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CC[N@@H+]1C 107237606 573447057 /nfs/dbraw/zinc/44/70/57/573447057.db2.gz MAKPJTOIRLUZPV-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2[NH2+]CCC[C@H]2CC[N@H+]1C 107237606 573447063 /nfs/dbraw/zinc/44/70/63/573447063.db2.gz MAKPJTOIRLUZPV-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C)C1 308589312 573449448 /nfs/dbraw/zinc/44/94/48/573449448.db2.gz JPDNCIZOBWFPLZ-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[N@H+]1CC2(CC[NH2+]CC2)C[C@@H]1C 107237489 573447095 /nfs/dbraw/zinc/44/70/95/573447095.db2.gz CFRLZSKTMGWBTP-NSHDSACASA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH]c(C2CC2)nc1[C@H]1CC[NH2+]C1 257816384 573447101 /nfs/dbraw/zinc/44/71/01/573447101.db2.gz DKGQAPAQMVYUHV-VIFPVBQESA-N 2 1 191.278 1.672 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2C[N@H+]1C(C)C 107237500 573447288 /nfs/dbraw/zinc/44/72/88/573447288.db2.gz SIYHUJBWEZBFPG-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[C@]2(CC[NH2+]C2)CC[N@H+]1C 83270850 573447680 /nfs/dbraw/zinc/44/76/80/573447680.db2.gz DSVSZVBENOPDRD-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[N@H+]1CCC2(CC[NH2+]CC2)[C@H]1C 107237494 573447685 /nfs/dbraw/zinc/44/76/85/573447685.db2.gz SRYFDHRXPAHFFU-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@@H+]1C 107237585 573447710 /nfs/dbraw/zinc/44/77/10/573447710.db2.gz GCHWYQIAOPTCNE-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[C@@H]1[C@H]2[NH2+]CCC[C@H]2C[N@H+]1C 107237585 573447716 /nfs/dbraw/zinc/44/77/16/573447716.db2.gz GCHWYQIAOPTCNE-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]CC[C@@H]2C[N@H+]1C(C)C 107237504 573447752 /nfs/dbraw/zinc/44/77/52/573447752.db2.gz SIYHUJBWEZBFPG-GRYCIOLGSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2CCC[NH2+][C@@H]2CC1 107237615 573447781 /nfs/dbraw/zinc/44/77/81/573447781.db2.gz BPJXNFWRGMDFET-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1[N@@H+](C)CCCC12CC[NH2+]CC2 107237480 573447807 /nfs/dbraw/zinc/44/78/07/573447807.db2.gz HECUYUITAURIQI-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@H+]1C[C@@]2(CCC[NH2+]C2)C[C@@H]1C 107237451 573447829 /nfs/dbraw/zinc/44/78/29/573447829.db2.gz HLXIAVLPEGZJPH-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C)C1 308589305 573447831 /nfs/dbraw/zinc/44/78/31/573447831.db2.gz JPDNCIZOBWFPLZ-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+]1CCC[C@H]1C[C@@H]1[NH2+]C(C)(C)CO1 258346550 573447842 /nfs/dbraw/zinc/44/78/42/573447842.db2.gz FLQMWOJBCVJHMA-VHSXEESVSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CCC[C@H]1C[C@@H]1[NH2+]C(C)(C)CO1 258346550 573447851 /nfs/dbraw/zinc/44/78/51/573447851.db2.gz FLQMWOJBCVJHMA-VHSXEESVSA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CCC[NH2+][C@@H]2CC1 107237612 573447893 /nfs/dbraw/zinc/44/78/93/573447893.db2.gz BPJXNFWRGMDFET-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1C[C@]2(CCC[NH2+]C2)C[C@H]1C 107237442 573447934 /nfs/dbraw/zinc/44/79/34/573447934.db2.gz HLXIAVLPEGZJPH-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259103154 573447959 /nfs/dbraw/zinc/44/79/59/573447959.db2.gz APPJHLMDXNNJJJ-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258350324 573448060 /nfs/dbraw/zinc/44/80/60/573448060.db2.gz YLVJWUDIKUXSLJ-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH]c(C2CC2)nc1[C@@H]1CC[NH2+]C1 257816383 573448252 /nfs/dbraw/zinc/44/82/52/573448252.db2.gz DKGQAPAQMVYUHV-SECBINFHSA-N 2 1 191.278 1.672 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2CCC[NH2+][C@@H]2[C@H]1C 107237621 573448320 /nfs/dbraw/zinc/44/83/20/573448320.db2.gz BNCCMSDQMUQCHE-GRYCIOLGSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CCC[NH2+][C@@H]2[C@H]1C 107237621 573448324 /nfs/dbraw/zinc/44/83/24/573448324.db2.gz BNCCMSDQMUQCHE-GRYCIOLGSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1[C@@H]1C[NH2+][C@@H](C)C1 258350327 573448352 /nfs/dbraw/zinc/44/83/52/573448352.db2.gz YLVJWUDIKUXSLJ-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CC[C@@H](C/C=C\CC[NH3+])C1 258346562 573448393 /nfs/dbraw/zinc/44/83/93/573448393.db2.gz YFFOKKNLILESOV-MXQLGCADSA-N 2 1 168.284 1.233 10 0 ADAEMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 308589310 573448443 /nfs/dbraw/zinc/44/84/43/573448443.db2.gz JPDNCIZOBWFPLZ-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC1CC[NH+]([C@@H](C)C[NH3+])CC1 50893170 573448685 /nfs/dbraw/zinc/44/86/85/573448685.db2.gz SHWFVBALCIMNBH-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@H+]1C[C@H](N)CC1(C)C 258654098 573448735 /nfs/dbraw/zinc/44/87/35/573448735.db2.gz DOYULKNYWPUPGN-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[N@@H+]1C[C@H]([NH3+])CC1(C)C 258654098 573448739 /nfs/dbraw/zinc/44/87/39/573448739.db2.gz DOYULKNYWPUPGN-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[N@H+]1C[C@H]([NH3+])CC1(C)C 258654098 573448742 /nfs/dbraw/zinc/44/87/42/573448742.db2.gz DOYULKNYWPUPGN-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)c1c[nH+]cn1CC1(C[NH3+])CC1 308589063 573448777 /nfs/dbraw/zinc/44/87/77/573448777.db2.gz NPJPXHBLHUHZQC-UHFFFAOYSA-N 2 1 193.294 1.745 10 0 ADAEMP CCCC[C@H](CC)C[NH2+]CC[NH3+] 50523715 573448834 /nfs/dbraw/zinc/44/88/34/573448834.db2.gz VDQVKPUWSIBXEI-JTQLQIEISA-N 2 1 172.316 1.751 10 0 ADAEMP CCC[N@H+]1C[C@H](C[NH3+])CCC1(C)C 259450195 573449083 /nfs/dbraw/zinc/44/90/83/573449083.db2.gz PDTOWOWCZBAYNL-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1[C@H]1C[NH2+][C@@H](C)C1 258350326 573449348 /nfs/dbraw/zinc/44/93/48/573449348.db2.gz YLVJWUDIKUXSLJ-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@H+]1C[C@@H](C[NH3+])CCC1(C)C 259450198 573449766 /nfs/dbraw/zinc/44/97/66/573449766.db2.gz PDTOWOWCZBAYNL-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1C[C@@]2(CC[NH2+]C2)CC[N@H+]1C 83270849 573449847 /nfs/dbraw/zinc/44/98/47/573449847.db2.gz DSVSZVBENOPDRD-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[C@]2(CC[NH2+]C2)CC[N@H+]1C 83270851 573449973 /nfs/dbraw/zinc/44/99/73/573449973.db2.gz DSVSZVBENOPDRD-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCc1c[nH+]cn1C(C)(C)CCC[NH3+] 308589257 573450095 /nfs/dbraw/zinc/45/00/95/573450095.db2.gz UJOVGLSAMXNKTE-UHFFFAOYSA-N 2 1 195.310 1.920 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+]C(C)(C)CO1 258346533 573450317 /nfs/dbraw/zinc/45/03/17/573450317.db2.gz FLQMWOJBCVJHMA-NXEZZACHSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+]C(C)(C)CO1 258346533 573450321 /nfs/dbraw/zinc/45/03/21/573450321.db2.gz FLQMWOJBCVJHMA-NXEZZACHSA-N 2 1 198.310 1.195 10 0 ADAEMP CCCC1CC[NH+]([C@H](C)C[NH3+])CC1 50893171 573450397 /nfs/dbraw/zinc/45/03/97/573450397.db2.gz SHWFVBALCIMNBH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+]CC/C=C\C[C@@H]1CCC[N@H+]1C 258346559 573450432 /nfs/dbraw/zinc/45/04/32/573450432.db2.gz YFDVVCDUHZKTHZ-DLRQAJBASA-N 2 1 182.311 1.636 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H]2CC[NH2+][C@H](C)C2)C1 258658362 573450446 /nfs/dbraw/zinc/45/04/46/573450446.db2.gz XCTJXKRYZHYJEZ-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CC/C=C\C[C@H]1CCC[N@H+]1C 258346558 573450552 /nfs/dbraw/zinc/45/05/52/573450552.db2.gz YFDVVCDUHZKTHZ-BYCRGOAPSA-N 2 1 182.311 1.636 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+]C(C)(C)CO1 258346561 573450571 /nfs/dbraw/zinc/45/05/71/573450571.db2.gz FLQMWOJBCVJHMA-ZJUUUORDSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@H]1[NH2+]C(C)(C)CO1 258346561 573450576 /nfs/dbraw/zinc/45/05/76/573450576.db2.gz FLQMWOJBCVJHMA-ZJUUUORDSA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C(C)(C)C[NH3+])C1 259449676 573450831 /nfs/dbraw/zinc/45/08/31/573450831.db2.gz LWGRWUMKFVXPFU-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@H+]1CC[C@H](C/C=C\CC[NH3+])C1 258346564 573451003 /nfs/dbraw/zinc/45/10/03/573451003.db2.gz YFFOKKNLILESOV-ZMWSMAPVSA-N 2 1 168.284 1.233 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](CC)C[NH2+]C 258658436 573451040 /nfs/dbraw/zinc/45/10/40/573451040.db2.gz NJGHCVUQDAFDJD-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP [NH3+]CC1([NH2+]Cc2ccccc2)CCC1 86475242 573451744 /nfs/dbraw/zinc/45/17/44/573451744.db2.gz OVKXBOFLHUEVDB-UHFFFAOYSA-N 2 1 190.290 1.658 10 0 ADAEMP CC[N@@H+](CCC(N)=[NH2+])CC1(C)CCC1 308589235 573451279 /nfs/dbraw/zinc/45/12/79/573451279.db2.gz UILPLDWLTXSNST-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP C[C@@H]1[NH2+][C@H](C)CC[C@H]1[NH+](C)C 107259531 573451450 /nfs/dbraw/zinc/45/14/50/573451450.db2.gz CKRCZGKZLJEIIB-HRDYMLBCSA-N 2 1 156.273 1.077 10 0 ADAEMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 308589307 573451531 /nfs/dbraw/zinc/45/15/31/573451531.db2.gz JPDNCIZOBWFPLZ-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CCC1)[N@H+]1CCCN[C@H](C)C1 124396989 573451556 /nfs/dbraw/zinc/45/15/56/573451556.db2.gz MDCXDTVRHMEENX-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCCC2)CCC1 86475233 573451626 /nfs/dbraw/zinc/45/16/26/573451626.db2.gz GWZRVBBIKBQNAG-UHFFFAOYSA-N 2 1 182.311 1.790 10 0 ADAEMP C[C@@H]1C[C@@]2(CC[NH2+]C2)CC[N@H+]1C 83270848 573451636 /nfs/dbraw/zinc/45/16/36/573451636.db2.gz DSVSZVBENOPDRD-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP Cc1ccc(C[C@](C)([NH3+])C[NH3+])cc1 142575484 573452331 /nfs/dbraw/zinc/45/23/31/573452331.db2.gz QAAJHQPLWCYIOU-NSHDSACASA-N 2 1 178.279 1.214 10 0 ADAEMP CC(C)C[NH2+]C1(C[NH3+])CCC1 86475236 573452552 /nfs/dbraw/zinc/45/25/52/573452552.db2.gz ONFUSEVPOUQNIM-UHFFFAOYSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1C[C@H](F)C[NH3+] 107257793 573453032 /nfs/dbraw/zinc/45/30/32/573453032.db2.gz ARNUCGDWZGHCNS-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@H](F)C[NH3+] 107257793 573453040 /nfs/dbraw/zinc/45/30/40/573453040.db2.gz ARNUCGDWZGHCNS-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H](CC)C[NH2+]C 258658438 573453276 /nfs/dbraw/zinc/45/32/76/573453276.db2.gz NJGHCVUQDAFDJD-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP [NH3+]C1(Cn2c[nH+]cc2C2CC2)CCC1 236228746 573454119 /nfs/dbraw/zinc/45/41/19/573454119.db2.gz MHDPDPHUBJXJFG-UHFFFAOYSA-N 2 1 191.278 1.642 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H]2CC[NH2+][C@H](C)C2)C1 258658374 573454244 /nfs/dbraw/zinc/45/42/44/573454244.db2.gz XCTJXKRYZHYJEZ-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CCC[N@@H+]2C)O1 258364239 573455431 /nfs/dbraw/zinc/45/54/31/573455431.db2.gz GLHWTLCSWOWGLO-OUAUKWLOSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CCC[N@H+]2C)O1 258364239 573455437 /nfs/dbraw/zinc/45/54/37/573455437.db2.gz GLHWTLCSWOWGLO-OUAUKWLOSA-N 2 1 198.310 1.195 10 0 ADAEMP C[NH2+]CC/C=C\[C@@H]1CCCC[N@H+]1C 258360804 573455470 /nfs/dbraw/zinc/45/54/70/573455470.db2.gz ZIEQHCOAZGPELO-KGHNQEBZSA-N 2 1 182.311 1.636 10 0 ADAEMP NC[C@]12CCC[N@H+]1C[C@@H]1CCCC[C@@H]12 107266541 573455685 /nfs/dbraw/zinc/45/56/85/573455685.db2.gz PWDZGNHGOWHJTM-SRVKXCTJSA-N 2 1 194.322 1.600 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CCC[N@@H+]2C)O1 258364235 573455691 /nfs/dbraw/zinc/45/56/91/573455691.db2.gz GLHWTLCSWOWGLO-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP [NH3+]C[C@]12CCC[N@@H+]1C[C@@H]1CCCC[C@@H]12 107266541 573455692 /nfs/dbraw/zinc/45/56/92/573455692.db2.gz PWDZGNHGOWHJTM-SRVKXCTJSA-N 2 1 194.322 1.600 10 0 ADAEMP C[NH2+][C@H](C[NH2+]C1CC1)C1CCCC1 259454590 573455693 /nfs/dbraw/zinc/45/56/93/573455693.db2.gz PFIDKCQXECVXRU-LLVKDONJSA-N 2 1 182.311 1.517 10 0 ADAEMP [NH3+]C[C@]12CCC[N@H+]1C[C@@H]1CCCC[C@@H]12 107266541 573455697 /nfs/dbraw/zinc/45/56/97/573455697.db2.gz PWDZGNHGOWHJTM-SRVKXCTJSA-N 2 1 194.322 1.600 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CCC[N@H+]2C)O1 258364235 573455698 /nfs/dbraw/zinc/45/56/98/573455698.db2.gz GLHWTLCSWOWGLO-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CCC[N@@H+]2C)O1 258364232 573455758 /nfs/dbraw/zinc/45/57/58/573455758.db2.gz GLHWTLCSWOWGLO-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CCC[N@H+]2C)O1 258364232 573455762 /nfs/dbraw/zinc/45/57/62/573455762.db2.gz GLHWTLCSWOWGLO-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP NC[C@]12CCC[N@H+]1C[C@@H]1CCCC[C@H]12 107266537 573455822 /nfs/dbraw/zinc/45/58/22/573455822.db2.gz PWDZGNHGOWHJTM-TUAOUCFPSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[N@@H+]1C[C@@H]1CCCC[C@H]12 107266537 573455827 /nfs/dbraw/zinc/45/58/27/573455827.db2.gz PWDZGNHGOWHJTM-TUAOUCFPSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[N@H+]1C[C@@H]1CCCC[C@H]12 107266537 573455831 /nfs/dbraw/zinc/45/58/31/573455831.db2.gz PWDZGNHGOWHJTM-TUAOUCFPSA-N 2 1 194.322 1.600 10 0 ADAEMP Cc1nc([C@@H]2CC[NH2+]C2)[nH]c1C(C)C 257817707 573456088 /nfs/dbraw/zinc/45/60/88/573456088.db2.gz DXIAIPBNXCGGCP-SECBINFHSA-N 2 1 193.294 1.918 10 0 ADAEMP C[N@H+]1CC[C@@H](c2nc(C[NH3+])cs2)C1 107265384 573456234 /nfs/dbraw/zinc/45/62/34/573456234.db2.gz DKHQXYSYICCVEI-SSDOTTSWSA-N 2 1 197.307 1.021 10 0 ADAEMP C[NH2+][C@@H](C[NH2+]C1CC1)C1CCCC1 259454593 573456384 /nfs/dbraw/zinc/45/63/84/573456384.db2.gz PFIDKCQXECVXRU-NSHDSACASA-N 2 1 182.311 1.517 10 0 ADAEMP CC1(C)C[NH2+][C@H](C[C@@H]2CCC[NH2+]2)OC1 258364200 573456436 /nfs/dbraw/zinc/45/64/36/573456436.db2.gz GKMBMAXFHLDRAS-UWVGGRQHSA-N 2 1 198.310 1.101 10 0 ADAEMP CCC[NH2+]C[C@]1(F)CCC[NH2+]C1 257813978 573456500 /nfs/dbraw/zinc/45/65/00/573456500.db2.gz CGRKZMNVUOCHFP-SECBINFHSA-N 2 1 174.263 1.078 10 0 ADAEMP NC[C@]12CCC[N@H+]1Cc1ccccc12 107266530 573456542 /nfs/dbraw/zinc/45/65/42/573456542.db2.gz ZJKHOOUGVAUQCN-LBPRGKRZSA-N 2 1 188.274 1.450 10 0 ADAEMP C[NH2+]C/C=C\[C@@H]1CCC[N@H+]1C(C)C 258353823 573456560 /nfs/dbraw/zinc/45/65/60/573456560.db2.gz YTHRZTILOUJMPE-VLWUPBBWSA-N 2 1 182.311 1.635 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CC[N@@H+](C)C2)O1 258352842 573458207 /nfs/dbraw/zinc/45/82/07/573458207.db2.gz FVFZPUCSWBRICI-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP NC[C@]12CCC[N@H+]1C[C@H]1CCCC[C@H]12 107266544 573458022 /nfs/dbraw/zinc/45/80/22/573458022.db2.gz PWDZGNHGOWHJTM-UTUOFQBUSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[N@@H+]1C[C@H]1CCCC[C@H]12 107266544 573458029 /nfs/dbraw/zinc/45/80/29/573458029.db2.gz PWDZGNHGOWHJTM-UTUOFQBUSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[N@H+]1C[C@H]1CCCC[C@H]12 107266544 573458033 /nfs/dbraw/zinc/45/80/33/573458033.db2.gz PWDZGNHGOWHJTM-UTUOFQBUSA-N 2 1 194.322 1.600 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CC[N@@H+](C)C2)O1 258352851 573458116 /nfs/dbraw/zinc/45/81/16/573458116.db2.gz FVFZPUCSWBRICI-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@@H+]1CCC[C@H]1c1nc(C[NH3+])cs1 107265393 573458998 /nfs/dbraw/zinc/45/89/98/573458998.db2.gz BGNQXLSOFSUGMN-QMMMGPOBSA-N 2 1 197.307 1.369 10 0 ADAEMP C[N@H+]1CCC[C@H]1c1nc(C[NH3+])cs1 107265393 573459003 /nfs/dbraw/zinc/45/90/03/573459003.db2.gz BGNQXLSOFSUGMN-QMMMGPOBSA-N 2 1 197.307 1.369 10 0 ADAEMP CC[N@H+]1CC[C@](C[NH3+])(C(F)(F)F)C1 257814188 573459030 /nfs/dbraw/zinc/45/90/30/573459030.db2.gz CJXCUCRMRLZKGR-SSDOTTSWSA-N 2 1 196.216 1.219 10 0 ADAEMP [NH3+][C@H]1CN[C@@H](c2cccc(F)c2)C1 107266819 573459060 /nfs/dbraw/zinc/45/90/60/573459060.db2.gz GIMMZBCKJJREEK-NXEZZACHSA-N 2 1 180.226 1.187 10 0 ADAEMP [NH3+][C@H]1C[NH2+][C@@H](c2cccc(F)c2)C1 107266819 573459062 /nfs/dbraw/zinc/45/90/62/573459062.db2.gz GIMMZBCKJJREEK-NXEZZACHSA-N 2 1 180.226 1.187 10 0 ADAEMP C[C@@H]1CC[N@@H+](C)[C@@H]1[C@@H]1CCC[NH2+]C1 107264919 573459085 /nfs/dbraw/zinc/45/90/85/573459085.db2.gz IWRHCAFPZJSIBC-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+][C@@H]1CN[C@@H](c2cccc(F)c2)C1 107266814 573459235 /nfs/dbraw/zinc/45/92/35/573459235.db2.gz GIMMZBCKJJREEK-VHSXEESVSA-N 2 1 180.226 1.187 10 0 ADAEMP [NH3+][C@@H]1C[NH2+][C@@H](c2cccc(F)c2)C1 107266814 573459239 /nfs/dbraw/zinc/45/92/39/573459239.db2.gz GIMMZBCKJJREEK-VHSXEESVSA-N 2 1 180.226 1.187 10 0 ADAEMP C1CC[NH+](CC[C@H]2[NH2+]CCCO2)CC1 258380114 573461907 /nfs/dbraw/zinc/46/19/07/573461907.db2.gz HGJLAHDKDIGMQU-NSHDSACASA-N 2 1 198.310 1.198 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H](F)C[NH3+])C1 257815391 573461908 /nfs/dbraw/zinc/46/19/08/573461908.db2.gz CTGCLASDQNUJSV-RKDXNWHRSA-N 2 1 174.263 1.014 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H](C)C[NH3+])C1 259459141 573460456 /nfs/dbraw/zinc/46/04/56/573460456.db2.gz MRODFDXNYBYPDO-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H](C)C[NH3+])C1 259459139 573462326 /nfs/dbraw/zinc/46/23/26/573462326.db2.gz MRODFDXNYBYPDO-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 107270387 573461578 /nfs/dbraw/zinc/46/15/78/573461578.db2.gz ZLWFSTCUDMKSBQ-QMMMGPOBSA-N 2 1 192.253 1.311 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C2CC2)C1 715152675 573461771 /nfs/dbraw/zinc/46/17/71/573461771.db2.gz FCOLGVPWRUGLPG-GRYCIOLGSA-N 2 1 194.322 1.313 10 0 ADAEMP C[C@H]([NH3+])C[C@H](c1cccnc1)[NH+](C)C 259458655 573461782 /nfs/dbraw/zinc/46/17/82/573461782.db2.gz JODXARCSMXORQK-GXSJLCMTSA-N 2 1 193.294 1.422 10 0 ADAEMP [NH3+][C@H](C[NH2+]C1CC1)Cc1cccs1 258383284 573461794 /nfs/dbraw/zinc/46/17/94/573461794.db2.gz TWJQRFGUPFXTBV-QMMMGPOBSA-N 2 1 196.319 1.370 10 0 ADAEMP [NH3+]C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C2CC2)C1 715152710 573461837 /nfs/dbraw/zinc/46/18/37/573461837.db2.gz FCOLGVPWRUGLPG-WOPDTQHZSA-N 2 1 194.322 1.313 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@@H]1CCC[N@@H+]1C 257815110 573462061 /nfs/dbraw/zinc/46/20/61/573462061.db2.gz CUDMBBVQXFPOAW-QMMMGPOBSA-N 2 1 192.253 1.325 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@@H]1CCC[N@H+]1C 257815110 573462065 /nfs/dbraw/zinc/46/20/65/573462065.db2.gz CUDMBBVQXFPOAW-QMMMGPOBSA-N 2 1 192.253 1.325 10 0 ADAEMP CC(C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 107270383 573462288 /nfs/dbraw/zinc/46/22/88/573462288.db2.gz ZLWFSTCUDMKSBQ-MRVPVSSYSA-N 2 1 192.253 1.311 10 0 ADAEMP CCCc1[nH+]cc2n1[C@@H]([NH3+])CCC2 258369738 573462300 /nfs/dbraw/zinc/46/23/00/573462300.db2.gz SJOCSUSNPZFHGT-SECBINFHSA-N 2 1 179.267 1.629 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H](C)C[NH3+])C1 259459143 573462849 /nfs/dbraw/zinc/46/28/49/573462849.db2.gz MRODFDXNYBYPDO-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1C1=CC=C[NH2+]C1 140719491 573462961 /nfs/dbraw/zinc/46/29/61/573462961.db2.gz ALAFLZBTERPAMD-SNVBAGLBSA-N 2 1 164.252 1.124 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C1=CC=C[NH2+]C1 140719491 573462968 /nfs/dbraw/zinc/46/29/68/573462968.db2.gz ALAFLZBTERPAMD-SNVBAGLBSA-N 2 1 164.252 1.124 10 0 ADAEMP CCCc1[nH+]cc2n1[C@H]([NH3+])CCC2 258369742 573463096 /nfs/dbraw/zinc/46/30/96/573463096.db2.gz SJOCSUSNPZFHGT-VIFPVBQESA-N 2 1 179.267 1.629 10 0 ADAEMP C[C@H]1CC(C)(C)C[C@]1(C[NH3+])[NH2+]C1CC1 235600716 573466133 /nfs/dbraw/zinc/46/61/33/573466133.db2.gz ZSXJRRAAGRYLJG-JOYOIKCWSA-N 2 1 196.338 1.892 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H](F)C[NH3+])C1 257815388 573463601 /nfs/dbraw/zinc/46/36/01/573463601.db2.gz CTGCLASDQNUJSV-IUCAKERBSA-N 2 1 174.263 1.014 10 0 ADAEMP [NH3+]C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C2CC2)C1 715152700 573463611 /nfs/dbraw/zinc/46/36/11/573463611.db2.gz FCOLGVPWRUGLPG-SRVKXCTJSA-N 2 1 194.322 1.313 10 0 ADAEMP CC[NH+]1CCC(C(F)(F)C[NH3+])CC1 257815086 573463793 /nfs/dbraw/zinc/46/37/93/573463793.db2.gz CTJJCLQTXQMIEO-UHFFFAOYSA-N 2 1 192.253 1.312 10 0 ADAEMP NC(=[NH2+])CC[N@H+]1C[C@H]2CCCCC[C@H]21 687960279 573463798 /nfs/dbraw/zinc/46/37/98/573463798.db2.gz WHMGBZWTHVPUKI-NXEZZACHSA-N 2 1 195.310 1.577 10 0 ADAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])C[C@H](C)[C@@H]1C 308592712 573464322 /nfs/dbraw/zinc/46/43/22/573464322.db2.gz WNCQDUMYDKMJIQ-FZHXTVGLSA-N 2 1 196.338 1.916 10 0 ADAEMP CC[N@H+]1CCC[C@H](/C=C\CC[NH3+])C1 258037335 573464480 /nfs/dbraw/zinc/46/44/80/573464480.db2.gz CIBLVFIMBBQNJL-UUSYTGMJSA-N 2 1 182.311 1.623 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@H]1CCC[N@@H+]1C 257815109 573464521 /nfs/dbraw/zinc/46/45/21/573464521.db2.gz CUDMBBVQXFPOAW-MRVPVSSYSA-N 2 1 192.253 1.325 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@H]1CCC[N@H+]1C 257815109 573464527 /nfs/dbraw/zinc/46/45/27/573464527.db2.gz CUDMBBVQXFPOAW-MRVPVSSYSA-N 2 1 192.253 1.325 10 0 ADAEMP NC(=[NH2+])CC[N@H+]1C[C@@H]2CCCCC[C@H]21 687960300 573464532 /nfs/dbraw/zinc/46/45/32/573464532.db2.gz WHMGBZWTHVPUKI-VHSXEESVSA-N 2 1 195.310 1.577 10 0 ADAEMP NC(=[NH2+])CC[N@H+]1C[C@@H]2CCCCC[C@@H]21 687960293 573464677 /nfs/dbraw/zinc/46/46/77/573464677.db2.gz WHMGBZWTHVPUKI-UWVGGRQHSA-N 2 1 195.310 1.577 10 0 ADAEMP CC[N@H+]1CCC[C@@H](/C=C\CC[NH3+])C1 258037337 573464832 /nfs/dbraw/zinc/46/48/32/573464832.db2.gz CIBLVFIMBBQNJL-ZTYXWKCZSA-N 2 1 182.311 1.623 10 0 ADAEMP C[NH2+]C[C@@H]1C[N@@H+](C2CC2)C(C)(C)C1 259461246 573465415 /nfs/dbraw/zinc/46/54/15/573465415.db2.gz QCOJTXQJZVAQPO-SECBINFHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@@](C)(F)C[NH3+])C1 257820671 573465441 /nfs/dbraw/zinc/46/54/41/573465441.db2.gz FUNGRJFTMGBREC-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CO1 258386097 573465482 /nfs/dbraw/zinc/46/54/82/573465482.db2.gz HODTVXYDFWQNON-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CO1 258386097 573465487 /nfs/dbraw/zinc/46/54/87/573465487.db2.gz HODTVXYDFWQNON-MXWKQRLJSA-N 2 1 198.310 1.195 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C(C)(C)C 107273852 573465611 /nfs/dbraw/zinc/46/56/11/573465611.db2.gz GGLDARBXQVZMFD-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH2+]CC(F)(F)CC1CC[NH2+]CC1 257815965 573465628 /nfs/dbraw/zinc/46/56/28/573465628.db2.gz DELNDLLPLNUWIJ-UHFFFAOYSA-N 2 1 192.253 1.231 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@@H]2CC[N@@H+](C)C2)C[NH2+]1 258357427 573465780 /nfs/dbraw/zinc/46/57/80/573465780.db2.gz YZKVYRBQUPEAJG-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]32)CCC1 686244786 573465781 /nfs/dbraw/zinc/46/57/81/573465781.db2.gz KPYRUJXJIJRVRD-QWRGUYRKSA-N 2 1 194.322 1.470 10 0 ADAEMP CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]32)CCC1 686244786 573465785 /nfs/dbraw/zinc/46/57/85/573465785.db2.gz KPYRUJXJIJRVRD-QWRGUYRKSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C)C(C)(C)C1 259461238 573465847 /nfs/dbraw/zinc/46/58/47/573465847.db2.gz QCLABIQMSDINRU-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1C[C@H](C[C@H]2CC[N@@H+](C)C2)C[NH2+]1 258357424 573465939 /nfs/dbraw/zinc/46/59/39/573465939.db2.gz YZKVYRBQUPEAJG-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CO1 258386083 573465982 /nfs/dbraw/zinc/46/59/82/573465982.db2.gz HODTVXYDFWQNON-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CO1 258386083 573465990 /nfs/dbraw/zinc/46/59/90/573465990.db2.gz HODTVXYDFWQNON-GMTAPVOTSA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1/C=C\CC[NH3+] 258357450 573466017 /nfs/dbraw/zinc/46/60/17/573466017.db2.gz YZVDRDXQIWJOPD-NWPZZWLHSA-N 2 1 168.284 1.376 10 0 ADAEMP NC(=[NH2+])CC[N@H+]1C[C@H]2CCCCC[C@@H]21 687960308 573466064 /nfs/dbraw/zinc/46/60/64/573466064.db2.gz WHMGBZWTHVPUKI-ZJUUUORDSA-N 2 1 195.310 1.577 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C(C)(C)C 107273798 573466152 /nfs/dbraw/zinc/46/61/52/573466152.db2.gz XUZPWBMNWPCSIK-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C(C)(C)C 107273798 573466158 /nfs/dbraw/zinc/46/61/58/573466158.db2.gz XUZPWBMNWPCSIK-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[C@H](C[C@@H]2CC[N@@H+](C)C2)C[NH2+]1 258357426 573466222 /nfs/dbraw/zinc/46/62/22/573466222.db2.gz YZKVYRBQUPEAJG-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]CC[C@@H]1C 259461225 573466474 /nfs/dbraw/zinc/46/64/74/573466474.db2.gz QBXOVMHSMBAJNH-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP Cc1[nH]c(CCC2([NH3+])CC2)c(C)[nH+]1 257815805 573466535 /nfs/dbraw/zinc/46/65/35/573466535.db2.gz CYZIZNMIKIORAP-UHFFFAOYSA-N 2 1 179.267 1.450 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)C(C)(C)C1 259461237 573466614 /nfs/dbraw/zinc/46/66/14/573466614.db2.gz QCLABIQMSDINRU-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C/C=C\CC[NH2+][C@]1(C[NH3+])C[C@H](C)[C@H]1C 308592713 573466638 /nfs/dbraw/zinc/46/66/38/573466638.db2.gz WNCQDUMYDKMJIQ-LNDCSFGSSA-N 2 1 196.338 1.916 10 0 ADAEMP CC1(C)C[NH2+][C@](C)(C[C@@H]2CCC[NH2+]2)O1 258357621 573466688 /nfs/dbraw/zinc/46/66/88/573466688.db2.gz GBQQQUKKQAHZEG-ONGXEEELSA-N 2 1 198.310 1.243 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C(C)(C)C 107273802 573466881 /nfs/dbraw/zinc/46/68/81/573466881.db2.gz XUZPWBMNWPCSIK-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])C[C@@H]1C(C)(C)C 107273802 573466885 /nfs/dbraw/zinc/46/68/85/573466885.db2.gz XUZPWBMNWPCSIK-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@@](C)(F)C[NH3+])C1 257820673 573466886 /nfs/dbraw/zinc/46/68/86/573466886.db2.gz FUNGRJFTMGBREC-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[NH2+]C[C@@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 126285104 573470984 /nfs/dbraw/zinc/47/09/84/573470984.db2.gz HBJLOCCMGRCRRF-UTUOFQBUSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC[C@H]([NH3+])C1CC1 130105133 573471002 /nfs/dbraw/zinc/47/10/02/573471002.db2.gz COZHGCRWGJYURE-JLLWLGSASA-N 2 1 196.338 1.702 10 0 ADAEMP Cc1ccc[nH+]c1NC[C@H](C)C[NH3+] 83387610 573471229 /nfs/dbraw/zinc/47/12/29/573471229.db2.gz QRRUPEBRXGPLTQ-MRVPVSSYSA-N 2 1 179.267 1.397 10 0 ADAEMP C[C@H](CC[NH3+])C[N@H+]1CC[C@H]2CCC[C@H]21 393522572 573471309 /nfs/dbraw/zinc/47/13/09/573471309.db2.gz PVVCLUTYCYGKTR-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H](C1CCCC1)[NH+](C)C 259105744 573477672 /nfs/dbraw/zinc/47/76/72/573477672.db2.gz QNLFSSISMRAQLL-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCC[C@@H]1C 83392727 573479964 /nfs/dbraw/zinc/47/99/64/573479964.db2.gz QDWFHCOGKGCNHI-VHSXEESVSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126293663 573476807 /nfs/dbraw/zinc/47/68/07/573476807.db2.gz XVWSLAMZOWWQKK-SDDRHHMPSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H](CC[NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126293857 573476026 /nfs/dbraw/zinc/47/60/26/573476026.db2.gz XVWSLAMZOWWQKK-UTUOFQBUSA-N 2 1 196.338 1.703 10 0 ADAEMP CC1(C)CC[C@]1(C[NH3+])[NH2+]CCC1CC1 308585593 573476239 /nfs/dbraw/zinc/47/62/39/573476239.db2.gz IEQFPRVHMTXMEJ-GFCCVEGCSA-N 2 1 196.338 1.894 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 83392694 573479982 /nfs/dbraw/zinc/47/99/82/573479982.db2.gz VYADCDUPJCVQPU-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@@H]1CCC[C@@]1(C[NH3+])[NH2+]C1CC1 83392737 573476863 /nfs/dbraw/zinc/47/68/63/573476863.db2.gz WWABGHKRRNSBAD-SCZZXKLOSA-N 2 1 168.284 1.256 10 0 ADAEMP CC1(C)CC[C@@]1(C[NH3+])[NH2+]CCC1CC1 308585594 573476933 /nfs/dbraw/zinc/47/69/33/573476933.db2.gz IEQFPRVHMTXMEJ-LBPRGKRZSA-N 2 1 196.338 1.894 10 0 ADAEMP C[N@H+](Cc1ccc[nH]1)CC(C)(C)C[NH3+] 258666329 573476935 /nfs/dbraw/zinc/47/69/35/573476935.db2.gz CFYYDJVCHXNLNH-UHFFFAOYSA-N 2 1 195.310 1.431 10 0 ADAEMP C[N@@H+](Cc1ccc[nH]1)CC(C)(C)C[NH3+] 258666329 573476940 /nfs/dbraw/zinc/47/69/40/573476940.db2.gz CFYYDJVCHXNLNH-UHFFFAOYSA-N 2 1 195.310 1.431 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@H+]1CCC[C@H](C[NH3+])C1 83394192 573477090 /nfs/dbraw/zinc/47/70/90/573477090.db2.gz GWFKNANEIRWJCR-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH+](C)[C@@H](c1cccs1)C1C[NH2+]C1 259464240 573477097 /nfs/dbraw/zinc/47/70/97/573477097.db2.gz JVYMRDQNILOOGO-SNVBAGLBSA-N 2 1 196.319 1.570 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCC[C@H]1C 83392725 573477470 /nfs/dbraw/zinc/47/74/70/573477470.db2.gz QDWFHCOGKGCNHI-NXEZZACHSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@H]1CCC[C@@]1(C[NH3+])[NH2+]C1CC1 83392739 573477535 /nfs/dbraw/zinc/47/75/35/573477535.db2.gz WWABGHKRRNSBAD-WPRPVWTQSA-N 2 1 168.284 1.256 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83392686 573477599 /nfs/dbraw/zinc/47/75/99/573477599.db2.gz VYADCDUPJCVQPU-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)([NH3+])Cc1[nH]c2c([nH+]1)CCCC2 107289556 573477910 /nfs/dbraw/zinc/47/79/10/573477910.db2.gz NTNPYIJFQJDRBO-UHFFFAOYSA-N 2 1 193.294 1.568 10 0 ADAEMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 83390564 573477921 /nfs/dbraw/zinc/47/79/21/573477921.db2.gz QLIQGUFOJBVVFG-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@@H](C1CCCC1)[NH+](C)C 259105738 573478737 /nfs/dbraw/zinc/47/87/37/573478737.db2.gz QNLFSSISMRAQLL-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@H]1C 83392720 573478803 /nfs/dbraw/zinc/47/88/03/573478803.db2.gz QDWFHCOGKGCNHI-ZJUUUORDSA-N 2 1 170.300 1.502 10 0 ADAEMP C[NH+](C)[C@H](c1cccs1)C1C[NH2+]C1 259464238 573478868 /nfs/dbraw/zinc/47/88/68/573478868.db2.gz JVYMRDQNILOOGO-JTQLQIEISA-N 2 1 196.319 1.570 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C)C1 83390562 573479002 /nfs/dbraw/zinc/47/90/02/573479002.db2.gz QLIQGUFOJBVVFG-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)C 308595921 573480482 /nfs/dbraw/zinc/48/04/82/573480482.db2.gz MNPYPKNASQLHGP-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP [NH3+][C@@H](C[C@@H]1CCC[NH2+]1)c1cccs1 259467477 573480250 /nfs/dbraw/zinc/48/02/50/573480250.db2.gz RLUSHFJDPWCJAA-IUCAKERBSA-N 2 1 196.319 1.890 10 0 ADAEMP C[C@@H]1CCC[C@@H]2C[C@@H]([NH3+])CC[N@@H+]12 238413334 573480371 /nfs/dbraw/zinc/48/03/71/573480371.db2.gz FBRHOTRQUZONNZ-KXUCPTDWSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@@H]2[NH2+]CCCO2)C1 258399814 573482030 /nfs/dbraw/zinc/48/20/30/573482030.db2.gz IIGIGMRQHPJGBF-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP Cc1[nH+]ccn1CC[C@@H]1CCC[C@H]1[NH3+] 86532726 573482241 /nfs/dbraw/zinc/48/22/41/573482241.db2.gz MTQDYADOTRUNBI-WDEREUQCSA-N 2 1 193.294 1.709 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1CN 257819010 573482296 /nfs/dbraw/zinc/48/22/96/573482296.db2.gz FHXLQIIKDYEVHA-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C[NH3+] 257819010 573482304 /nfs/dbraw/zinc/48/23/04/573482304.db2.gz FHXLQIIKDYEVHA-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1[nH+]ccn1CC[C@@H]1CCC[C@@H]1[NH3+] 86532721 573482357 /nfs/dbraw/zinc/48/23/57/573482357.db2.gz MTQDYADOTRUNBI-QWRGUYRKSA-N 2 1 193.294 1.709 10 0 ADAEMP C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1CN 257819005 573482580 /nfs/dbraw/zinc/48/25/80/573482580.db2.gz FHXLQIIKDYEVHA-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C[NH3+] 257819005 573482593 /nfs/dbraw/zinc/48/25/93/573482593.db2.gz FHXLQIIKDYEVHA-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)C 308595920 573482603 /nfs/dbraw/zinc/48/26/03/573482603.db2.gz MNPYPKNASQLHGP-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1CN 257819003 573482704 /nfs/dbraw/zinc/48/27/04/573482704.db2.gz FHXLQIIKDYEVHA-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C[NH3+] 257819003 573482708 /nfs/dbraw/zinc/48/27/08/573482708.db2.gz FHXLQIIKDYEVHA-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1[nH+]ccn1CC[C@H]1CCC[C@@H]1[NH3+] 86532723 573483406 /nfs/dbraw/zinc/48/34/06/573483406.db2.gz MTQDYADOTRUNBI-MNOVXSKESA-N 2 1 193.294 1.709 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@@H]1CCC[NH2+]C1 257818893 573484950 /nfs/dbraw/zinc/48/49/50/573484950.db2.gz FFMDVHPHNVKVLY-QMMMGPOBSA-N 2 1 192.253 1.231 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+]1C[C@H]2CCC[C@H]2C1 126315596 573484439 /nfs/dbraw/zinc/48/44/39/573484439.db2.gz UFZPVFKYBGCXFZ-SDDRHHMPSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@]2(C)C[C@H]2[NH3+])C1 259471617 573484445 /nfs/dbraw/zinc/48/44/45/573484445.db2.gz WSOVWLMQEWULHI-IVZWLZJFSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1[C@@H](C)C[NH3+] 259469574 573484978 /nfs/dbraw/zinc/48/49/78/573484978.db2.gz NSJVEJLFSKZVPT-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@H]1CCC[NH2+]C1 257818892 573484569 /nfs/dbraw/zinc/48/45/69/573484569.db2.gz FFMDVHPHNVKVLY-MRVPVSSYSA-N 2 1 192.253 1.231 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126306887 573484646 /nfs/dbraw/zinc/48/46/46/573484646.db2.gz LIGQNPBPMQILKW-SDDRHHMPSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[N@H+]1CCC[C@H]1[C@H](C)C[NH3+] 259469570 573484841 /nfs/dbraw/zinc/48/48/41/573484841.db2.gz NSJVEJLFSKZVPT-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCC[C@H]1[C@@H](C)C[NH3+] 259469576 573486729 /nfs/dbraw/zinc/48/67/29/573486729.db2.gz NSJVEJLFSKZVPT-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(=[NH2+])N1CCC[N@H+](C)C[C@@H]1C 235607150 573486791 /nfs/dbraw/zinc/48/67/91/573486791.db2.gz PXNKLWSMPFDQBL-QMMMGPOBSA-N 2 1 169.272 1.010 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)[C@H]1C 259106592 573486850 /nfs/dbraw/zinc/48/68/50/573486850.db2.gz AWHLAGVZNKPKQP-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)[C@@H]1C 259106597 573487175 /nfs/dbraw/zinc/48/71/75/573487175.db2.gz AWHLAGVZNKPKQP-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C(C)C)[C@H]1C 259106594 573487194 /nfs/dbraw/zinc/48/71/94/573487194.db2.gz AWHLAGVZNKPKQP-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1[C@H](C)C[NH3+] 259469580 573487497 /nfs/dbraw/zinc/48/74/97/573487497.db2.gz NSJVEJLFSKZVPT-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]CC2CCC2)CC1 83418032 573487695 /nfs/dbraw/zinc/48/76/95/573487695.db2.gz JBLJVLMADGOQAD-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@H](C)CC1=CCC[N@@H+](C)C1 258038876 573487742 /nfs/dbraw/zinc/48/77/42/573487742.db2.gz KMQNPNKXELAQGW-SECBINFHSA-N 2 1 168.284 1.246 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H](C2([NH3+])CC2)C1 258038627 573487757 /nfs/dbraw/zinc/48/77/57/573487757.db2.gz OGQAMGHPDIAOOH-JTQLQIEISA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 83417717 573487793 /nfs/dbraw/zinc/48/77/93/573487793.db2.gz LSFZHQTUSFOWAX-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)CC1 83418774 573487826 /nfs/dbraw/zinc/48/78/26/573487826.db2.gz PUHOMIOZNOKUEK-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](C2([NH3+])CC2)C1 258038629 573487871 /nfs/dbraw/zinc/48/78/71/573487871.db2.gz OGQAMGHPDIAOOH-SNVBAGLBSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@]2(C)C[C@@H]2[NH3+])C1 259471616 573488013 /nfs/dbraw/zinc/48/80/13/573488013.db2.gz WSOVWLMQEWULHI-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CC2(C)C)CC1 83418687 573488050 /nfs/dbraw/zinc/48/80/50/573488050.db2.gz BOQYEKRUTYAULL-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@]2(C)C[C@@H]2[NH3+])C1 259471618 573488056 /nfs/dbraw/zinc/48/80/56/573488056.db2.gz WSOVWLMQEWULHI-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]Cc1ccc[nH]1 258680544 573488187 /nfs/dbraw/zinc/48/81/87/573488187.db2.gz ASQMZWNOOIHAQU-JTQLQIEISA-N 2 1 181.283 1.088 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]CC2CCC2)CC1 83418030 573488310 /nfs/dbraw/zinc/48/83/10/573488310.db2.gz JBLJVLMADGOQAD-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1c[nH+]c(N)c(/C=C/CC[NH3+])c1 86570884 573488567 /nfs/dbraw/zinc/48/85/67/573488567.db2.gz RKTZMIKTOUDDJQ-DUXPYHPUSA-N 2 1 177.251 1.334 10 0 ADAEMP Cc1[nH+]c(C2CC2)[nH]c1CC1C[NH2+]C1 257820066 573488624 /nfs/dbraw/zinc/48/86/24/573488624.db2.gz FPEWJPQCEGYJLI-UHFFFAOYSA-N 2 1 191.278 1.357 10 0 ADAEMP C[NH2+][C@@H](C)CC1=CCC[N@@H+](C)C1 258038880 573490325 /nfs/dbraw/zinc/49/03/25/573490325.db2.gz KMQNPNKXELAQGW-VIFPVBQESA-N 2 1 168.284 1.246 10 0 ADAEMP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C1CC1 83418110 573489076 /nfs/dbraw/zinc/48/90/76/573489076.db2.gz ITSLEPOXJZFOLF-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC2(C)C)CC1 83418684 573489197 /nfs/dbraw/zinc/48/91/97/573489197.db2.gz BOQYEKRUTYAULL-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]C2CCC2)CC1 83418760 573489354 /nfs/dbraw/zinc/48/93/54/573489354.db2.gz HWVLLVQTILILPD-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C1CC1 83418111 573489718 /nfs/dbraw/zinc/48/97/18/573489718.db2.gz ITSLEPOXJZFOLF-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417708 573489802 /nfs/dbraw/zinc/48/98/02/573489802.db2.gz LSFZHQTUSFOWAX-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]Cc1ccc[nH]1 258680547 573489956 /nfs/dbraw/zinc/48/99/56/573489956.db2.gz ASQMZWNOOIHAQU-SNVBAGLBSA-N 2 1 181.283 1.088 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C1CC1 83418108 573490101 /nfs/dbraw/zinc/49/01/01/573490101.db2.gz ITSLEPOXJZFOLF-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 83417705 573490251 /nfs/dbraw/zinc/49/02/51/573490251.db2.gz LSFZHQTUSFOWAX-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C/C(=C/CC[NH3+])c1cc(C)c[nH+]c1N 86570704 573490423 /nfs/dbraw/zinc/49/04/23/573490423.db2.gz WFTLFMQRHXPGQD-WTKPLQERSA-N 2 1 191.278 1.724 10 0 ADAEMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C1CC1 83418106 573491582 /nfs/dbraw/zinc/49/15/82/573491582.db2.gz ITSLEPOXJZFOLF-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258690304 573491659 /nfs/dbraw/zinc/49/16/59/573491659.db2.gz UEUYCWXZANZJMA-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258690304 573491666 /nfs/dbraw/zinc/49/16/66/573491666.db2.gz UEUYCWXZANZJMA-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC2(C)C)CC1 83418686 573491833 /nfs/dbraw/zinc/49/18/33/573491833.db2.gz BOQYEKRUTYAULL-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC2(C)C)CC1 83418683 573491854 /nfs/dbraw/zinc/49/18/54/573491854.db2.gz BOQYEKRUTYAULL-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]([C@@H]2CC[N@@H+](C)C2)CC[NH2+]1 258694508 573492266 /nfs/dbraw/zinc/49/22/66/573492266.db2.gz ZGWNIPLHMSMKCC-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC[C@H]1CCC1([NH3+])CCC1 258041608 573492002 /nfs/dbraw/zinc/49/20/02/573492002.db2.gz OKPQSFDMHVZDRZ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@H+]1CC[C@H](C/C=C\CC[NH2+]C)C1 258043911 573492646 /nfs/dbraw/zinc/49/26/46/573492646.db2.gz CRWQLSVBAXSFBZ-RXNFCKPNSA-N 2 1 196.338 1.884 10 0 ADAEMP C[N@@H+]1CCC[C@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258690276 573492654 /nfs/dbraw/zinc/49/26/54/573492654.db2.gz UEUYCWXZANZJMA-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2[NH2+]CC(C)(C)O2)C1 258690276 573492657 /nfs/dbraw/zinc/49/26/57/573492657.db2.gz UEUYCWXZANZJMA-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@@H](CC[NH3+])CC1 83423986 573492662 /nfs/dbraw/zinc/49/26/62/573492662.db2.gz OTLOKAIHQCQEGO-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP 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1 182.311 1.611 10 0 ADAEMP CC1(C)CO[C@@](C)(C[C@H]2CCC[NH2+]2)[NH2+]1 258713741 573506383 /nfs/dbraw/zinc/50/63/83/573506383.db2.gz VCMITURCPNYJER-KOLCDFICSA-N 2 1 198.310 1.243 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC(C)(C)CC1 83436017 573506384 /nfs/dbraw/zinc/50/63/84/573506384.db2.gz JJZUQRYPSDNWFA-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CCc1[nH+]c(N)[nH]c1[C@H]1CCC[N@@H+]1C 258048721 573506391 /nfs/dbraw/zinc/50/63/91/573506391.db2.gz JYTADKCKVVFOHI-MRVPVSSYSA-N 2 1 194.282 1.321 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC(C)(C)CC1 83436016 573507748 /nfs/dbraw/zinc/50/77/48/573507748.db2.gz JJZUQRYPSDNWFA-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]([N@@H+](C)C2CC2)C1 86599187 573507607 /nfs/dbraw/zinc/50/76/07/573507607.db2.gz BDBWOADKUQDUAT-ONGXEEELSA-N 2 1 182.311 1.611 10 0 ADAEMP CCc1[nH+]c(N)[nH]c1[C@@H]1CCC[N@@H+]1C 258048724 573507688 /nfs/dbraw/zinc/50/76/88/573507688.db2.gz JYTADKCKVVFOHI-QMMMGPOBSA-N 2 1 194.282 1.321 10 0 ADAEMP CCc1[nH+]c(N)[nH]c1[C@@H]1CCC[N@H+]1C 258048724 573507696 /nfs/dbraw/zinc/50/76/96/573507696.db2.gz JYTADKCKVVFOHI-QMMMGPOBSA-N 2 1 194.282 1.321 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2C[C@@]23CCC[NH2+]C3)C1 258046522 573509446 /nfs/dbraw/zinc/50/94/46/573509446.db2.gz JRFAZFOTRCVHRD-QJPTWQEYSA-N 2 1 194.322 1.328 10 0 ADAEMP C[N@@H+](C[C@@H](C[NH3+])C1CC1)C(C)(C)C 397410020 573509560 /nfs/dbraw/zinc/50/95/60/573509560.db2.gz NZTZROPOWAFHKM-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP Cc1noc([C@@H]2CCC[N@@H+]2C)c1C[NH3+] 257821964 573509703 /nfs/dbraw/zinc/50/97/03/573509703.db2.gz GFITYTBQDSEYKT-VIFPVBQESA-N 2 1 195.266 1.208 10 0 ADAEMP C[C@H]([NH3+])c1coc([C@H]2CC[N@@H+](C)C2)n1 258051218 573509807 /nfs/dbraw/zinc/50/98/07/573509807.db2.gz KXOUQFRJHXERSZ-YUMQZZPRSA-N 2 1 195.266 1.113 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2[C@@H]1C 107229993 573511676 /nfs/dbraw/zinc/51/16/76/573511676.db2.gz JDGUCHYQBUECFY-GARJFASQSA-N 2 1 182.311 1.467 10 0 ADAEMP 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CC[C@H]([C@@H]1CCCC[NH2+]1)[NH+](C)C 259482181 573511242 /nfs/dbraw/zinc/51/12/42/573511242.db2.gz KSGLQDKGCPDBBE-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+]1CCC(C)(C)[C@H]([NH3+])C1 258727513 573511483 /nfs/dbraw/zinc/51/14/83/573511483.db2.gz ISWSMIQVCGBWHD-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@H]([NH3+])C1 258727513 573511488 /nfs/dbraw/zinc/51/14/88/573511488.db2.gz ISWSMIQVCGBWHD-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]([NH3+])c1coc([C@H]2CC[N@@H+](C)C2)n1 258051214 573511513 /nfs/dbraw/zinc/51/15/13/573511513.db2.gz KXOUQFRJHXERSZ-SFYZADRCSA-N 2 1 195.266 1.113 10 0 ADAEMP CC[N@@H+]1CCC(C)(C)[C@@H]([NH3+])C1 258727519 573512676 /nfs/dbraw/zinc/51/26/76/573512676.db2.gz ISWSMIQVCGBWHD-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@@H]([NH3+])C1 258727519 573512682 /nfs/dbraw/zinc/51/26/82/573512682.db2.gz ISWSMIQVCGBWHD-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[C@@H]([NH3+])C2)c1C 86601112 573512707 /nfs/dbraw/zinc/51/27/07/573512707.db2.gz GDJJENUMCWJMAR-GHMZBOCLSA-N 2 1 193.294 1.942 10 0 ADAEMP C[N@H+]1CCC[NH2+]C(C)(C)CC1 259482621 573512845 /nfs/dbraw/zinc/51/28/45/573512845.db2.gz RMNJVPAIMKRYJY-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP CCC(CC)C[NH2+][C@H](CC)C[NH3+] 130292003 573512868 /nfs/dbraw/zinc/51/28/68/573512868.db2.gz WQLRPHSLALHAQH-SNVBAGLBSA-N 2 1 172.316 1.750 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2C[C@]23CCC[NH2+]C3)C1 258046535 573513635 /nfs/dbraw/zinc/51/36/35/573513635.db2.gz JRFAZFOTRCVHRD-SRVKXCTJSA-N 2 1 194.322 1.328 10 0 ADAEMP C[N@@H+](C1CCC1)C(C)(C)CC[NH3+] 258721468 573513485 /nfs/dbraw/zinc/51/34/85/573513485.db2.gz DKCCELXTIKJYDS-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[NH2+][C@H]1C[NH2+]C(C)(C)C1 258718866 573513560 /nfs/dbraw/zinc/51/35/60/573513560.db2.gz LOIRZORNTLMFBV-MRVPVSSYSA-N 2 1 156.273 1.125 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCC[C@H]([NH3+])C2)c1C 86601110 573513565 /nfs/dbraw/zinc/51/35/65/573513565.db2.gz GDJJENUMCWJMAR-QWRGUYRKSA-N 2 1 193.294 1.942 10 0 ADAEMP C[C@@H]1CCC[C@H]2C[C@@H]([NH3+])CC[N@H+]21 238422707 573513686 /nfs/dbraw/zinc/51/36/86/573513686.db2.gz FBRHOTRQUZONNZ-UTLUCORTSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CCC[C@H]2CCNC[N@H+]21 238422521 573514977 /nfs/dbraw/zinc/51/49/77/573514977.db2.gz TWRREPHLPIKLKU-BDAKNGLRSA-N 2 1 154.257 1.180 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@@H]([NH3+])C1 86601032 573515378 /nfs/dbraw/zinc/51/53/78/573515378.db2.gz HXJVOZBBFPKKHZ-NXEZZACHSA-N 2 1 193.294 1.888 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H](F)CC[NH3+])C1 257822555 573515481 /nfs/dbraw/zinc/51/54/81/573515481.db2.gz GIKSBWOIDQSXLZ-UWVGGRQHSA-N 2 1 188.290 1.404 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@H]([NH3+])C1 86601027 573515594 /nfs/dbraw/zinc/51/55/94/573515594.db2.gz HXJVOZBBFPKKHZ-VHSXEESVSA-N 2 1 193.294 1.888 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]([C@H](F)C[NH3+])C1 257823163 573515719 /nfs/dbraw/zinc/51/57/19/573515719.db2.gz GNNBIKXUEDLNHV-NXEZZACHSA-N 2 1 188.290 1.404 10 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257822530 573516046 /nfs/dbraw/zinc/51/60/46/573516046.db2.gz GHRIEHLYKUXZOT-QMMMGPOBSA-N 2 1 192.253 1.311 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C(F)(F)C[NH3+])C1 257822530 573516052 /nfs/dbraw/zinc/51/60/52/573516052.db2.gz GHRIEHLYKUXZOT-QMMMGPOBSA-N 2 1 192.253 1.311 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H]([N@@H+](C)C(C)C)C1 86618430 573516410 /nfs/dbraw/zinc/51/64/10/573516410.db2.gz HPYULLMQPLICMG-VHSXEESVSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC2)C[C@@H]1C 308605226 573516941 /nfs/dbraw/zinc/51/69/41/573516941.db2.gz PKLHEIDXEICXPX-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H]([N@@H+](C)C2CC2)C1 86618694 573517097 /nfs/dbraw/zinc/51/70/97/573517097.db2.gz SFWHVSDYLTXIJM-WCBMZHEXSA-N 2 1 168.284 1.221 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2C[C@]23CCC[NH2+]C3)C1 258046541 573517156 /nfs/dbraw/zinc/51/71/56/573517156.db2.gz JRFAZFOTRCVHRD-TUAOUCFPSA-N 2 1 194.322 1.328 10 0 ADAEMP [NH3+]C[C@@]1(C2CCCC2)CCCC[NH2+]1 258739258 573517195 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HPYULLMQPLICMG-UWVGGRQHSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+]CC[NH2+]CC(C)(C)CC(C)C 258739944 573520025 /nfs/dbraw/zinc/52/00/25/573520025.db2.gz KVOUGHQCGXVQOP-UHFFFAOYSA-N 2 1 186.343 1.868 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@@H](C)C1)C(C)C 308602919 573520357 /nfs/dbraw/zinc/52/03/57/573520357.db2.gz FMRLGNGCWYGGDU-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[C@H]([NH2+]C)C1 86618664 573520883 /nfs/dbraw/zinc/52/08/83/573520883.db2.gz LWKQBILVRFNWLI-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@@H+](C)C(C)(C)CC[NH3+] 258737626 573521327 /nfs/dbraw/zinc/52/13/27/573521327.db2.gz FNYAOERHBMZESV-UHFFFAOYSA-N 2 1 144.262 1.066 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@H](C)C[NH3+] 107330575 573523182 /nfs/dbraw/zinc/52/31/82/573523182.db2.gz RMYDSRSDGWIFSU-MRVPVSSYSA-N 2 1 167.256 1.526 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCC[N@H+]2CCCC[C@@H]12 238425498 573523239 /nfs/dbraw/zinc/52/32/39/573523239.db2.gz GJVBZKQSWZTYGT-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](n2cc[nH+]c2C)C1 86619823 573526016 /nfs/dbraw/zinc/52/60/16/573526016.db2.gz SCIWNWQXKHDNKU-UWVGGRQHSA-N 2 1 179.267 1.505 10 0 ADAEMP CC1(C)C[C@@H](CC[NH3+])C[N@H+]1C1CC1 259486985 573526017 /nfs/dbraw/zinc/52/60/17/573526017.db2.gz RSXWWUGZPSTPFE-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[C@H]([NH3+])C2)c1C 86620050 573524421 /nfs/dbraw/zinc/52/44/21/573524421.db2.gz LUAYPJXQQTXKMZ-VHSXEESVSA-N 2 1 179.267 1.552 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]1CCC1CC1 308613211 573524472 /nfs/dbraw/zinc/52/44/72/573524472.db2.gz ZACDPIHODMEDRJ-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](n2cc[nH+]c2C)C1 86619824 573524546 /nfs/dbraw/zinc/52/45/46/573524546.db2.gz SCIWNWQXKHDNKU-NXEZZACHSA-N 2 1 179.267 1.505 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CC[C@H]([NH3+])C1 86620067 573524571 /nfs/dbraw/zinc/52/45/71/573524571.db2.gz BXUPYBODDWFFFV-UWVGGRQHSA-N 2 1 193.294 1.888 10 0 ADAEMP CC1(C)C[C@H](CC[NH3+])C[N@H+]1C1CC1 259486989 573524583 /nfs/dbraw/zinc/52/45/83/573524583.db2.gz RSXWWUGZPSTPFE-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H](n2cc[nH+]c2C)C1 86619826 573524605 /nfs/dbraw/zinc/52/46/05/573524605.db2.gz HZMCXDSBOKZOPM-MNOVXSKESA-N 2 1 193.294 1.895 10 0 ADAEMP Cc1ccc(CC[NH2+]C[C@@H](C)[NH3+])o1 258747280 573524659 /nfs/dbraw/zinc/52/46/59/573524659.db2.gz LUUDYKGUIBQMOZ-MRVPVSSYSA-N 2 1 182.267 1.067 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@@H]([NH2+]C)C1 86620008 573524681 /nfs/dbraw/zinc/52/46/81/573524681.db2.gz KAFOTIAPFDFFHX-NXEZZACHSA-N 2 1 193.294 1.759 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[C@H](C)C[NH3+])C1 259486739 573524756 /nfs/dbraw/zinc/52/47/56/573524756.db2.gz PAMLUOLJLPUJEV-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCC[N@H+]1CCC1CC1 308613210 573524973 /nfs/dbraw/zinc/52/49/73/573524973.db2.gz ZACDPIHODMEDRJ-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](n2cc[nH+]c2C)C1 86619825 573525087 /nfs/dbraw/zinc/52/50/87/573525087.db2.gz SCIWNWQXKHDNKU-ZJUUUORDSA-N 2 1 179.267 1.505 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](n2c[nH+]c(C)c2C)C1 86620048 573525124 /nfs/dbraw/zinc/52/51/24/573525124.db2.gz ULRVBLPKQSQADV-GHMZBOCLSA-N 2 1 193.294 1.813 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@@H]([NH3+])C1 86620012 573525230 /nfs/dbraw/zinc/52/52/30/573525230.db2.gz TUONUBNCKAJHKS-RKDXNWHRSA-N 2 1 179.267 1.498 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1C1CCC1 107329282 573525355 /nfs/dbraw/zinc/52/53/55/573525355.db2.gz BSQYNNLJZSAXIM-UHFFFAOYSA-N 2 1 165.240 1.109 10 0 ADAEMP Cc1ccc(CC[NH2+]C[C@H](C)[NH3+])o1 258747284 573525481 /nfs/dbraw/zinc/52/54/81/573525481.db2.gz LUUDYKGUIBQMOZ-QMMMGPOBSA-N 2 1 182.267 1.067 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1C1CC1 107329105 573525569 /nfs/dbraw/zinc/52/55/69/573525569.db2.gz GKEBRRCZXAHASV-SSDOTTSWSA-N 2 1 165.240 1.280 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](n2c[nH+]c(C)c2C)C1 86620047 573525670 /nfs/dbraw/zinc/52/56/70/573525670.db2.gz ULRVBLPKQSQADV-QWRGUYRKSA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](n2c[nH+]c(C)c2C)C1 86620049 573525760 /nfs/dbraw/zinc/52/57/60/573525760.db2.gz ULRVBLPKQSQADV-MNOVXSKESA-N 2 1 193.294 1.813 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@@H](C)C[NH3+] 107330571 573525883 /nfs/dbraw/zinc/52/58/83/573525883.db2.gz RMYDSRSDGWIFSU-QMMMGPOBSA-N 2 1 167.256 1.526 10 0 ADAEMP Cc1[nH+]cn([C@H]2CC[C@H]([NH3+])C2)c1C 86620051 573526120 /nfs/dbraw/zinc/52/61/20/573526120.db2.gz LUAYPJXQQTXKMZ-UWVGGRQHSA-N 2 1 179.267 1.552 10 0 ADAEMP CC(C)[NH2+]C(C)(C)C[NH+]1CCCC1 308612875 573526206 /nfs/dbraw/zinc/52/62/06/573526206.db2.gz GLGPWRMUVRSDCT-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](n2c[nH+]c(C)c2C)C1 86620046 573526316 /nfs/dbraw/zinc/52/63/16/573526316.db2.gz ULRVBLPKQSQADV-WDEREUQCSA-N 2 1 193.294 1.813 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CC[C@H]([NH3+])C1 86620066 573527539 /nfs/dbraw/zinc/52/75/39/573527539.db2.gz BXUPYBODDWFFFV-VHSXEESVSA-N 2 1 193.294 1.888 10 0 ADAEMP Cc1[nH+]cn([C@H]2CC[C@@H]([NH3+])C2)c1C 86620053 573527596 /nfs/dbraw/zinc/52/75/96/573527596.db2.gz LUAYPJXQQTXKMZ-ZJUUUORDSA-N 2 1 179.267 1.552 10 0 ADAEMP C[C@H]([NH3+])c1ncc([C@@H]2CCC[N@H+]2C)[nH]1 258058503 573527626 /nfs/dbraw/zinc/52/76/26/573527626.db2.gz KNPAHWMWJCVDIX-CBAPKCEASA-N 2 1 194.282 1.196 10 0 ADAEMP C[C@H]([NH3+])c1nc([C@@H]2CCC[N@@H+]2C)c[nH]1 258058503 573527631 /nfs/dbraw/zinc/52/76/31/573527631.db2.gz KNPAHWMWJCVDIX-CBAPKCEASA-N 2 1 194.282 1.196 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](C[NH3+])C1(C)C 259491560 573527786 /nfs/dbraw/zinc/52/77/86/573527786.db2.gz SCZRVFFEHAKSOO-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@H]([NH2+]C)C1 86620007 573527773 /nfs/dbraw/zinc/52/77/73/573527773.db2.gz KAFOTIAPFDFFHX-UWVGGRQHSA-N 2 1 193.294 1.759 10 0 ADAEMP C[C@@H]([NH3+])c1ncc([C@H]2CCC[N@H+]2C)[nH]1 258058512 573527810 /nfs/dbraw/zinc/52/78/10/573527810.db2.gz KNPAHWMWJCVDIX-VXNVDRBHSA-N 2 1 194.282 1.196 10 0 ADAEMP C[C@@H]([NH3+])c1nc([C@H]2CCC[N@@H+]2C)c[nH]1 258058512 573527815 /nfs/dbraw/zinc/52/78/15/573527815.db2.gz KNPAHWMWJCVDIX-VXNVDRBHSA-N 2 1 194.282 1.196 10 0 ADAEMP [NH3+][C@H](c1ccc[nH]1)[C@H]1CCC[NH2+]C1 259490330 573527886 /nfs/dbraw/zinc/52/78/86/573527886.db2.gz SXRZWOKPSZDLGC-WPRPVWTQSA-N 2 1 179.267 1.014 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@@H]([NH3+])C1 86620013 573528039 /nfs/dbraw/zinc/52/80/39/573528039.db2.gz TUONUBNCKAJHKS-BDAKNGLRSA-N 2 1 179.267 1.498 10 0 ADAEMP C[C@H]([NH3+])c1ncc([C@H]2CCC[N@H+]2C)[nH]1 258058507 573530394 /nfs/dbraw/zinc/53/03/94/573530394.db2.gz KNPAHWMWJCVDIX-IONNQARKSA-N 2 1 194.282 1.196 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 258758356 573528141 /nfs/dbraw/zinc/52/81/41/573528141.db2.gz JBACVILQSZQSPD-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C2CC2)C1(C)C 259490233 573528166 /nfs/dbraw/zinc/52/81/66/573528166.db2.gz RZVUKPTXQBSEHC-JTQLQIEISA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](C2CC2)C1(C)C 259490233 573528170 /nfs/dbraw/zinc/52/81/70/573528170.db2.gz RZVUKPTXQBSEHC-JTQLQIEISA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]([NH3+])c1nc([C@H]2CCC[N@@H+]2C)c[nH]1 258058507 573530400 /nfs/dbraw/zinc/53/04/00/573530400.db2.gz KNPAHWMWJCVDIX-IONNQARKSA-N 2 1 194.282 1.196 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[C@H]([NH3+])C1 86620011 573528316 /nfs/dbraw/zinc/52/83/16/573528316.db2.gz TUONUBNCKAJHKS-IUCAKERBSA-N 2 1 179.267 1.498 10 0 ADAEMP CC[NH2+][C@H]1CC[C@@H](n2cc[nH+]c2C)C1 86619829 573528345 /nfs/dbraw/zinc/52/83/45/573528345.db2.gz HZMCXDSBOKZOPM-WDEREUQCSA-N 2 1 193.294 1.895 10 0 ADAEMP CC[NH2+][C@H]1CC[C@H](n2cc[nH+]c2C)C1 86619827 573528586 /nfs/dbraw/zinc/52/85/86/573528586.db2.gz HZMCXDSBOKZOPM-QWRGUYRKSA-N 2 1 193.294 1.895 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[C@H]([NH3+])C1 86620010 573528712 /nfs/dbraw/zinc/52/87/12/573528712.db2.gz TUONUBNCKAJHKS-DTWKUNHWSA-N 2 1 179.267 1.498 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CCC[NH2+]2)OC1 258756404 573530462 /nfs/dbraw/zinc/53/04/62/573530462.db2.gz WPEWOIFJLFWNMG-VWYCJHECSA-N 2 1 198.310 1.101 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C2CC2)C1(C)C 259490236 573529435 /nfs/dbraw/zinc/52/94/35/573529435.db2.gz RZVUKPTXQBSEHC-SNVBAGLBSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](C2CC2)C1(C)C 259490236 573529441 /nfs/dbraw/zinc/52/94/41/573529441.db2.gz RZVUKPTXQBSEHC-SNVBAGLBSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H](C[NH2+]C1CC1)CC(C)C 259488152 573529888 /nfs/dbraw/zinc/52/98/88/573529888.db2.gz RDWGGNQBWUBVJO-SNVBAGLBSA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1(C)C 259491546 573530030 /nfs/dbraw/zinc/53/00/30/573530030.db2.gz SCRDGMBLLIAWCK-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1c1cc(C[NH3+])[nH]n1 258406403 573530117 /nfs/dbraw/zinc/53/01/17/573530117.db2.gz CSPLCZRVXZCZDY-SNVBAGLBSA-N 2 1 194.282 1.025 10 0 ADAEMP CC[N@H+]1CCC[C@H]1c1cc(C[NH3+])[nH]n1 258406402 573530300 /nfs/dbraw/zinc/53/03/00/573530300.db2.gz CSPLCZRVXZCZDY-JTQLQIEISA-N 2 1 194.282 1.025 10 0 ADAEMP [NH3+][C@@H](c1ccc[nH]1)[C@@H]1CCC[NH2+]C1 259490324 573530947 /nfs/dbraw/zinc/53/09/47/573530947.db2.gz SXRZWOKPSZDLGC-PSASIEDQSA-N 2 1 179.267 1.014 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@]2(C)CCCC[NH2+]2)C1 258053939 573535209 /nfs/dbraw/zinc/53/52/09/573535209.db2.gz DGLWJVKWYZVPSK-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[NH2+]C(C)(C)C1 258758349 573532855 /nfs/dbraw/zinc/53/28/55/573532855.db2.gz JBACVILQSZQSPD-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[NH2+]C[C@]1(F)CCC[NH2+]C1 257828566 573533121 /nfs/dbraw/zinc/53/31/21/573533121.db2.gz IJANHXKGYBFXRN-VIFPVBQESA-N 2 1 174.263 1.076 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@]2(C)CCCC[NH2+]2)C1 258053948 573533823 /nfs/dbraw/zinc/53/38/23/573533823.db2.gz DGLWJVKWYZVPSK-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C[C@H]1C[N@@H+](C(C)C)C(C)(C)C1 259493285 573533908 /nfs/dbraw/zinc/53/39/08/573533908.db2.gz SHDZAUKIALDASB-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+](C)CCC1CCC1 258756891 573534248 /nfs/dbraw/zinc/53/42/48/573534248.db2.gz MPZNBZDXGLKAOC-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)CCC1CCC1 258756894 573534431 /nfs/dbraw/zinc/53/44/31/573534431.db2.gz MPZNBZDXGLKAOC-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP [NH3+][C@@H](C[C@H]1CCC[NH2+]1)c1ccncc1 259494544 573534456 /nfs/dbraw/zinc/53/44/56/573534456.db2.gz TYZKYBZXJHZVLJ-MNOVXSKESA-N 2 1 191.278 1.224 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CCC[NH2+]2)OC1 258756382 573534832 /nfs/dbraw/zinc/53/48/32/573534832.db2.gz WPEWOIFJLFWNMG-GMTAPVOTSA-N 2 1 198.310 1.101 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CCC[NH2+]2)OC1 258756394 573534873 /nfs/dbraw/zinc/53/48/73/573534873.db2.gz WPEWOIFJLFWNMG-OUAUKWLOSA-N 2 1 198.310 1.101 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1C(C)(C)C 107343294 573534984 /nfs/dbraw/zinc/53/49/84/573534984.db2.gz AFRJHIHNUWYRMA-MRVPVSSYSA-N 2 1 181.283 1.700 10 0 ADAEMP CC(C)c1[nH]cc(CC2C[NH2+]C2)[nH+]1 257828181 573535019 /nfs/dbraw/zinc/53/50/19/573535019.db2.gz IGWSNSXPCMHXOT-UHFFFAOYSA-N 2 1 179.267 1.295 10 0 ADAEMP C[NH2+]C[C@@H]1C[N@@H+](C(C)C)C(C)(C)C1 259493286 573535182 /nfs/dbraw/zinc/53/51/82/573535182.db2.gz SHDZAUKIALDASB-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@]2(C)CCCC[NH2+]2)C1 258053945 573535946 /nfs/dbraw/zinc/53/59/46/573535946.db2.gz DGLWJVKWYZVPSK-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1c(CCC2([NH3+])CC2)[nH+]cn1C 257828597 573535961 /nfs/dbraw/zinc/53/59/61/573535961.db2.gz ILGNULAYYFVYRW-UHFFFAOYSA-N 2 1 179.267 1.152 10 0 ADAEMP Cc1ccc(C[NH2+]C[C@H](C)[NH3+])cc1C 258760914 573538376 /nfs/dbraw/zinc/53/83/76/573538376.db2.gz NDRDAJCSWJDNTF-NSHDSACASA-N 2 1 192.306 1.740 10 0 ADAEMP C[NH+](C)CC(C)(C)NC(=[NH2+])C(C)(C)C 308617663 573539972 /nfs/dbraw/zinc/53/99/72/573539972.db2.gz KMEVCODEGJSRAI-UHFFFAOYSA-N 2 1 199.342 1.940 10 0 ADAEMP Fc1ccc(C[NH2+]CC2C[NH2+]C2)cc1 258760756 573538570 /nfs/dbraw/zinc/53/85/70/573538570.db2.gz ADPBSBKQHDMFQY-UHFFFAOYSA-N 2 1 194.253 1.135 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@@H](F)CC[NH3+])C1 257829087 573538911 /nfs/dbraw/zinc/53/89/11/573538911.db2.gz ITGAJGIMTCCTBS-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]c2ccc(F)cn12 107356538 573538973 /nfs/dbraw/zinc/53/89/73/573538973.db2.gz RDVIPRZLVPWCJC-SSDOTTSWSA-N 2 1 193.225 1.536 10 0 ADAEMP [NH3+][C@H](C[C@H]1CCC[NH2+]1)c1ccncc1 259494543 573539260 /nfs/dbraw/zinc/53/92/60/573539260.db2.gz TYZKYBZXJHZVLJ-GHMZBOCLSA-N 2 1 191.278 1.224 10 0 ADAEMP C[NH2+]C[C@@](C)(F)C[C@H]1CC[N@@H+](C)C1 257829275 573539312 /nfs/dbraw/zinc/53/93/12/573539312.db2.gz IRVIAWOKFADINM-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@@H](F)CC[NH3+])C1 257829089 573539387 /nfs/dbraw/zinc/53/93/87/573539387.db2.gz ITGAJGIMTCCTBS-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]([NH3+])Cc1c[nH+]c2ccc(F)cn12 107356534 573539531 /nfs/dbraw/zinc/53/95/31/573539531.db2.gz LJEXFAUXDHFHQP-SSDOTTSWSA-N 2 1 193.225 1.363 10 0 ADAEMP c1[nH+]cn2c1[C@H]([C@@H]1CC[NH2+]C1)CCC2 107353590 573539573 /nfs/dbraw/zinc/53/95/73/573539573.db2.gz DHGJMABMSZOLME-ZJUUUORDSA-N 2 1 191.278 1.370 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]c2ccc(F)cn12 107356536 573539632 /nfs/dbraw/zinc/53/96/32/573539632.db2.gz RDVIPRZLVPWCJC-ZETCQYMHSA-N 2 1 193.225 1.536 10 0 ADAEMP CC(C)C(=[NH2+])NC(C)(C)C[NH+](C)C 308615789 573539876 /nfs/dbraw/zinc/53/98/76/573539876.db2.gz DUQAZZMECWMKLP-UHFFFAOYSA-N 2 1 185.315 1.549 10 0 ADAEMP [NH3+]CC1(c2[nH+]cc3ccccn23)CC1 257829431 573539886 /nfs/dbraw/zinc/53/98/86/573539886.db2.gz IVWVSFDGTRKCPO-UHFFFAOYSA-N 2 1 187.246 1.325 10 0 ADAEMP c1[nH+]cn2c1[C@@H]([C@H]1CC[NH2+]C1)CCC2 107353591 573539887 /nfs/dbraw/zinc/53/98/87/573539887.db2.gz DHGJMABMSZOLME-VHSXEESVSA-N 2 1 191.278 1.370 10 0 ADAEMP Cc1[nH+]c[nH]c1C[C@H]1CCC[NH2+]C1 257829045 573540136 /nfs/dbraw/zinc/54/01/36/573540136.db2.gz IQLALEWVQQMBRI-SECBINFHSA-N 2 1 179.267 1.260 10 0 ADAEMP C[N@H+]1CCc2ccccc2C[C@@H]1CN 107352039 573540310 /nfs/dbraw/zinc/54/03/10/573540310.db2.gz ZFEAITFDKLXGQV-GFCCVEGCSA-N 2 1 190.290 1.044 10 0 ADAEMP Cc1[nH+]c(CC[NH3+])n2c(F)cccc12 107356551 573540348 /nfs/dbraw/zinc/54/03/48/573540348.db2.gz AGYPQTBNUKPGTN-UHFFFAOYSA-N 2 1 193.225 1.283 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CCc1ccc[nH]1 258769782 573540553 /nfs/dbraw/zinc/54/05/53/573540553.db2.gz NVXGWEHABMQIPA-JTQLQIEISA-N 2 1 195.310 1.226 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@H](F)CC[NH3+])C1 257829088 573540729 /nfs/dbraw/zinc/54/07/29/573540729.db2.gz ITGAJGIMTCCTBS-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])CCC1(C)C 259499858 573540936 /nfs/dbraw/zinc/54/09/36/573540936.db2.gz SVRKAYMGMCKJSX-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]([NH3+])Cc1[nH+]cc2cccc(F)n12 107356554 573541022 /nfs/dbraw/zinc/54/10/22/573541022.db2.gz KHPYWGLSKCMESU-ZETCQYMHSA-N 2 1 193.225 1.363 10 0 ADAEMP C[NH2+]C[C@](C)(F)C[C@H]1CC[N@@H+](C)C1 257829272 573541190 /nfs/dbraw/zinc/54/11/90/573541190.db2.gz IRVIAWOKFADINM-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]([NH3+])Cc1[nH+]cc2cc(F)ccn12 107356571 573543304 /nfs/dbraw/zinc/54/33/04/573543304.db2.gz KXGCUKPBHSUBBO-SSDOTTSWSA-N 2 1 193.225 1.363 10 0 ADAEMP C[C@H]1C[N@H+](C2CC2)CCCC[NH2+]1 259501526 573541803 /nfs/dbraw/zinc/54/18/03/573541803.db2.gz SYJAZUCUZMUAEV-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC2)CCCC[NH2+]1 259501525 573543265 /nfs/dbraw/zinc/54/32/65/573543265.db2.gz SYJAZUCUZMUAEV-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP Cc1ccc2c[nH+]c(C3C[NH2+]C3)n2c1 257825085 573542950 /nfs/dbraw/zinc/54/29/50/573542950.db2.gz GZZXQZPHNDRLIK-UHFFFAOYSA-N 2 1 187.246 1.330 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CCc1ccc[nH]1 258769784 573543003 /nfs/dbraw/zinc/54/30/03/573543003.db2.gz NVXGWEHABMQIPA-SNVBAGLBSA-N 2 1 195.310 1.226 10 0 ADAEMP Cc1[nH+]c(CC[NH3+])n2ccc(F)cc12 107356565 573543316 /nfs/dbraw/zinc/54/33/16/573543316.db2.gz BEWFKBBMPUMXTL-UHFFFAOYSA-N 2 1 193.225 1.283 10 0 ADAEMP Cc1[nH]c(C[C@H]2CCCC[NH2+]2)[nH+]c1C 257824858 573543587 /nfs/dbraw/zinc/54/35/87/573543587.db2.gz HBIOUBQXNRDZQE-SNVBAGLBSA-N 2 1 193.294 1.711 10 0 ADAEMP Cc1[nH+]c(CC[NH3+])n2cc(F)ccc12 107356558 573544150 /nfs/dbraw/zinc/54/41/50/573544150.db2.gz OZSZONTYQKDYSB-UHFFFAOYSA-N 2 1 193.225 1.283 10 0 ADAEMP CC(C)CCC[N@@H+](C)CC1C[NH2+]C1 258767961 573544166 /nfs/dbraw/zinc/54/41/66/573544166.db2.gz ALDXBNDIDLARJV-UHFFFAOYSA-N 2 1 184.327 1.574 10 0 ADAEMP C[N@H+]1CCC[C@H](C2CCC([NH3+])CC2)C1 259119715 573545517 /nfs/dbraw/zinc/54/55/17/573545517.db2.gz GFIMJZWRXIFVGK-CXQJBGSLSA-N 2 1 196.338 1.846 10 0 ADAEMP CCOCCC[N@@H+](CC)CCC[NH3+] 83550230 573548896 /nfs/dbraw/zinc/54/88/96/573548896.db2.gz PILFYQOKZOTONK-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH2+]C2CCCC2)C1 308628105 573548973 /nfs/dbraw/zinc/54/89/73/573548973.db2.gz XRSXOYRCQLFJDA-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1c[nH+]c(N)c(C2=C[C@H]([NH3+])CC2)c1 83548332 573548976 /nfs/dbraw/zinc/54/89/76/573548976.db2.gz GXNVBYCQPZEOGX-SECBINFHSA-N 2 1 189.262 1.477 10 0 ADAEMP CCCC1C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C1 86663138 573550327 /nfs/dbraw/zinc/55/03/27/573550327.db2.gz WYEYTWMUXVUTOL-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 86663154 573550470 /nfs/dbraw/zinc/55/04/70/573550470.db2.gz QQCXDTONDCLBRY-KXUCPTDWSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]1CC[N@H+]1C1CCC([NH3+])CC1 86663460 573550508 /nfs/dbraw/zinc/55/05/08/573550508.db2.gz AIUUMQDGKYGXAH-IDKOKCKLSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1C[NH+]([C@H]2CCCC[C@@H]2[NH3+])C1 86663147 573550635 /nfs/dbraw/zinc/55/06/35/573550635.db2.gz ILZQBBGMISPKFC-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[NH+]([C@@H]2CCCC[C@H]2[NH3+])C1 86663194 573550744 /nfs/dbraw/zinc/55/07/44/573550744.db2.gz PROJUQGRNHNPSP-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]CC(C)(C)CCc1[nH+]ccn1C 126522641 573550837 /nfs/dbraw/zinc/55/08/37/573550837.db2.gz NYSGBSPYQBQVGL-UHFFFAOYSA-N 2 1 195.310 1.598 10 0 ADAEMP CSCC[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259111969 573550878 /nfs/dbraw/zinc/55/08/78/573550878.db2.gz KPHSJEVGNJJARN-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CCCC[N@H+]1CCC[NH2+]CC[C@@H]1C 259504986 573554615 /nfs/dbraw/zinc/55/46/15/573554615.db2.gz TYUHBXCTMFFEMZ-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CSCC[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 259111962 573551080 /nfs/dbraw/zinc/55/10/80/573551080.db2.gz KPHSJEVGNJJARN-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[NH2+]CCCc1[nH]cc(C2CCC2)[nH+]1 259120458 573551191 /nfs/dbraw/zinc/55/11/91/573551191.db2.gz PYCPCCIAFDNBCN-UHFFFAOYSA-N 2 1 193.294 1.829 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 86662808 573551302 /nfs/dbraw/zinc/55/13/02/573551302.db2.gz AMHVZSRKSGAUHU-WDEREUQCSA-N 2 1 194.322 1.755 10 0 ADAEMP C[C@@H]1[C@@H]2CCC[C@@H]2[NH2+]CC[N@H+]1C 238438209 573551475 /nfs/dbraw/zinc/55/14/75/573551475.db2.gz UKVVIKJZHSFKPP-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+]C[C@H]1C[NH2+]Cc2cc(F)ccc21 257825766 573551551 /nfs/dbraw/zinc/55/15/51/573551551.db2.gz HHKXEMUQRQKGON-VIFPVBQESA-N 2 1 194.253 1.232 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1CC[NH2+]CC1 86663271 573551553 /nfs/dbraw/zinc/55/15/53/573551553.db2.gz SMNQUHVITGAOLJ-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[NH2+]C2CCCC2)C1 308628099 573551645 /nfs/dbraw/zinc/55/16/45/573551645.db2.gz XRSXOYRCQLFJDA-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(C)C[NH+]([C@H]2CCCC[C@H]2[NH3+])C1 86663195 573551915 /nfs/dbraw/zinc/55/19/15/573551915.db2.gz PROJUQGRNHNPSP-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CC2(CCC2)C1 86663168 573551946 /nfs/dbraw/zinc/55/19/46/573551946.db2.gz INNCHBQBICTYOJ-MNOVXSKESA-N 2 1 194.322 1.742 10 0 ADAEMP CCCC1C[NH+]([C@H]2CCCC[C@H]2[NH3+])C1 86663141 573552048 /nfs/dbraw/zinc/55/20/48/573552048.db2.gz WYEYTWMUXVUTOL-NEPJUHHUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1CCC[NH2+]C1 86663249 573552111 /nfs/dbraw/zinc/55/21/11/573552111.db2.gz ZPJJTFQDHGDFSL-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]([C@@H]1CCC[NH2+]C1)[N@H+]1CC[C@H]1C 86663301 573552393 /nfs/dbraw/zinc/55/23/93/573552393.db2.gz IVGAIEOMSOAXFF-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]CC1([C@@H]2CCC[N@@H+](C)C2)CC1 259121624 573552494 /nfs/dbraw/zinc/55/24/94/573552494.db2.gz GJDCQNZEIJKRHQ-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CC3)C[C@H]2C1 257830234 573552646 /nfs/dbraw/zinc/55/26/46/573552646.db2.gz JEMGNDMBLQYAGP-IVZWLZJFSA-N 2 1 180.295 1.208 10 0 ADAEMP CCc1[nH]c([C@@H](CC)C[NH2+]C)nc1C 258771021 573552957 /nfs/dbraw/zinc/55/29/57/573552957.db2.gz TVMPTHLFXWLNRW-VIFPVBQESA-N 2 1 195.310 1.994 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](C3CC3)C[C@@H]2C1 257830238 573553027 /nfs/dbraw/zinc/55/30/27/573553027.db2.gz JEMGNDMBLQYAGP-LPEHRKFASA-N 2 1 180.295 1.208 10 0 ADAEMP CC1(C)C[NH+]([C@H]2CCCC[C@@H]2[NH3+])C1 86663193 573553178 /nfs/dbraw/zinc/55/31/78/573553178.db2.gz PROJUQGRNHNPSP-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1C[NH+]([C@H]2CCCC[C@H]2[NH3+])C1 86663149 573553223 /nfs/dbraw/zinc/55/32/23/573553223.db2.gz ILZQBBGMISPKFC-ZJUUUORDSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1[C@@H]2CCCC[C@@H]2[C@@H](C[NH3+])[N@@H+]1C 238437816 573553510 /nfs/dbraw/zinc/55/35/10/573553510.db2.gz MRCXAOKRUOGJAT-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1[C@@H]2CCCC[C@@H]2[C@@H](C[NH3+])[N@H+]1C 238437816 573553518 /nfs/dbraw/zinc/55/35/18/573553518.db2.gz MRCXAOKRUOGJAT-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCC[NH2+]C1 86663248 573553526 /nfs/dbraw/zinc/55/35/26/573553526.db2.gz ZPJJTFQDHGDFSL-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC1C[NH+]([C@@H]2CCCC[C@H]2[NH3+])C1 86663148 573553606 /nfs/dbraw/zinc/55/36/06/573553606.db2.gz ILZQBBGMISPKFC-NXEZZACHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1CC[NH2+]CC1 86663272 573553731 /nfs/dbraw/zinc/55/37/31/573553731.db2.gz SMNQUHVITGAOLJ-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+]2CCCCC[C@@H]12 82385516 573553812 /nfs/dbraw/zinc/55/38/12/573553812.db2.gz WGVFLRBDYCBQPC-NEPJUHHUSA-N 2 1 196.338 1.990 10 0 ADAEMP CC1(C)C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C1 86663192 573553903 /nfs/dbraw/zinc/55/39/03/573553903.db2.gz PROJUQGRNHNPSP-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@H]1C[N@@H+](C)[C@@H]2CCC[C@@H]2C[NH2+]1 82385545 573553913 /nfs/dbraw/zinc/55/39/13/573553913.db2.gz VOBYQMWAXKZAKH-IJLUTSLNSA-N 2 1 196.338 1.715 10 0 ADAEMP CC1C[NH+]([C@@H]2CCCC[C@@H]2[NH3+])C1 86663146 573553950 /nfs/dbraw/zinc/55/39/50/573553950.db2.gz ILZQBBGMISPKFC-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[NH2+]C2(CCC2)C1 86662807 573553984 /nfs/dbraw/zinc/55/39/84/573553984.db2.gz AMHVZSRKSGAUHU-GHMZBOCLSA-N 2 1 194.322 1.755 10 0 ADAEMP C[C@@H]1CC[N@H+]1C1CCC([NH3+])CC1 86663459 573554024 /nfs/dbraw/zinc/55/40/24/573554024.db2.gz AIUUMQDGKYGXAH-XNWIYYODSA-N 2 1 168.284 1.351 10 0 ADAEMP CSCC[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 259111966 573554594 /nfs/dbraw/zinc/55/45/94/573554594.db2.gz KPHSJEVGNJJARN-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)[C@H]1C[N@@H+](C)[C@H]2CCC[C@@H]2C[NH2+]1 82385546 573554218 /nfs/dbraw/zinc/55/42/18/573554218.db2.gz VOBYQMWAXKZAKH-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CCCC1C[NH+]([C@H]2CCCC[C@@H]2[NH3+])C1 86663139 573554320 /nfs/dbraw/zinc/55/43/20/573554320.db2.gz WYEYTWMUXVUTOL-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CC2(CCC2)C1 86663169 573554396 /nfs/dbraw/zinc/55/43/96/573554396.db2.gz INNCHBQBICTYOJ-GHMZBOCLSA-N 2 1 194.322 1.742 10 0 ADAEMP CCCC1C[NH+]([C@@H]2CCCC[C@H]2[NH3+])C1 86663140 573555577 /nfs/dbraw/zinc/55/55/77/573555577.db2.gz WYEYTWMUXVUTOL-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH+]1CC(C)(C)C1 86679804 573562799 /nfs/dbraw/zinc/56/27/99/573562799.db2.gz VVCAJNKXBYDUKG-VIFPVBQESA-N 2 1 170.300 1.312 10 0 ADAEMP CCc1[nH]c([C@H](CC)C[NH2+]C)nc1C 258771018 573556576 /nfs/dbraw/zinc/55/65/76/573556576.db2.gz TVMPTHLFXWLNRW-SECBINFHSA-N 2 1 195.310 1.994 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C(C)(C)C[NH3+] 259505144 573556592 /nfs/dbraw/zinc/55/65/92/573556592.db2.gz RCZQUFTVJXCYJL-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CC3)C[C@@H]2C1 257830236 573556661 /nfs/dbraw/zinc/55/66/61/573556661.db2.gz JEMGNDMBLQYAGP-KXUCPTDWSA-N 2 1 180.295 1.208 10 0 ADAEMP C[N@H+]1CCC[C@@H](/C=C\CC[NH3+])C1 258061295 573556761 /nfs/dbraw/zinc/55/67/61/573556761.db2.gz DVBOHWIQUWWGKK-XJIUSYNZSA-N 2 1 168.284 1.233 10 0 ADAEMP Cc1cccc2c[nH+]c(C3C[NH2+]C3)n12 257830292 573557812 /nfs/dbraw/zinc/55/78/12/573557812.db2.gz JEZWIKUKJKMOLV-UHFFFAOYSA-N 2 1 187.246 1.330 10 0 ADAEMP CC(C)C1C[NH+]([C@H]2CCCC[NH2+]C2)C1 86679254 573557424 /nfs/dbraw/zinc/55/74/24/573557424.db2.gz COSBSCMTOONCMB-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC1C[NH+]([C@@H](CC)C[NH3+])C1 86679625 573557515 /nfs/dbraw/zinc/55/75/15/573557515.db2.gz NJSXOLJWBKPFNY-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP Cc1ccc(C(C)(C)C[NH2+]CC[NH3+])o1 258775753 573557559 /nfs/dbraw/zinc/55/75/59/573557559.db2.gz OOKMHRAUNJWAKR-UHFFFAOYSA-N 2 1 196.294 1.414 10 0 ADAEMP CC1(C)C[NH+]([C@@H]2CCCCC[C@H]2[NH3+])C1 86678616 573557602 /nfs/dbraw/zinc/55/76/02/573557602.db2.gz QEFUPMPYZCGLCK-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@H+]1Cc1ccccc1C[NH3+] 86678030 573557749 /nfs/dbraw/zinc/55/77/49/573557749.db2.gz AWSFZFUSAQGYLK-SNVBAGLBSA-N 2 1 190.290 1.740 10 0 ADAEMP C[NH2+][C@@H](CC(C)(C)[NH3+])c1ccc(C)o1 259504970 573557769 /nfs/dbraw/zinc/55/77/69/573557769.db2.gz SIMOSYFKYZCNOR-VIFPVBQESA-N 2 1 196.294 1.976 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCCC2)[C@H]1CN 257830571 573557779 /nfs/dbraw/zinc/55/77/79/573557779.db2.gz JHMKWOMIMFRCAY-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCCC2)[C@H]1C[NH3+] 257830571 573557790 /nfs/dbraw/zinc/55/77/90/573557790.db2.gz JHMKWOMIMFRCAY-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CCCC1C[NH+]([C@H]2CCC[C@H]2[NH3+])C1 86678259 573557814 /nfs/dbraw/zinc/55/78/14/573557814.db2.gz AVNHZDVXHRDRLB-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[NH+]1CC2(CCCC2)C1 86679322 573557832 /nfs/dbraw/zinc/55/78/32/573557832.db2.gz HDNOWDUNGJRHDP-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+]2CCCCC[C@H]12 82385515 573557944 /nfs/dbraw/zinc/55/79/44/573557944.db2.gz WGVFLRBDYCBQPC-VXGBXAGGSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH+]1CC2(CCC2)C1 86679783 573558029 /nfs/dbraw/zinc/55/80/29/573558029.db2.gz WTBYMAXTLKYBKF-JTQLQIEISA-N 2 1 182.311 1.456 10 0 ADAEMP CCC1(CC)C[NH+]([C@H]2CCC[C@H]2[NH3+])C1 86678280 573558105 /nfs/dbraw/zinc/55/81/05/573558105.db2.gz IWWKJIKTPMUDCJ-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C(C)(C)C[NH3+] 259505145 573558127 /nfs/dbraw/zinc/55/81/27/573558127.db2.gz RCZQUFTVJXCYJL-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@H+]1CCC[NH2+]CC[C@H]1C 259504981 573558431 /nfs/dbraw/zinc/55/84/31/573558431.db2.gz TYUHBXCTMFFEMZ-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC1C[NH+]([C@@H]2CCC[C@H]2[NH3+])C1 86678257 573558451 /nfs/dbraw/zinc/55/84/51/573558451.db2.gz AVNHZDVXHRDRLB-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+]1CC[C@@H]1C 86679703 573558611 /nfs/dbraw/zinc/55/86/11/573558611.db2.gz GAZGVMAFJMNVTJ-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+]1CC[C@@H]1C 86679703 573558614 /nfs/dbraw/zinc/55/86/14/573558614.db2.gz GAZGVMAFJMNVTJ-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC(=[NH2+])NC(C)(C)C[NH+](C)C 308620488 573558616 /nfs/dbraw/zinc/55/86/16/573558616.db2.gz USPJKYXMJCOEIH-UHFFFAOYSA-N 2 1 171.288 1.303 10 0 ADAEMP [NH3+]C[C@@H](C1CC1)[NH+]1CC2(CCCC2)C1 86679576 573558721 /nfs/dbraw/zinc/55/87/21/573558721.db2.gz WOGLMQAIAMUGTA-NSHDSACASA-N 2 1 194.322 1.600 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH+]1CC2(CCCC2)C1 86679768 573558750 /nfs/dbraw/zinc/55/87/50/573558750.db2.gz BNIKZAGYEWPJAV-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@@H+]1CC[C@@H]1C 86679317 573558832 /nfs/dbraw/zinc/55/88/32/573558832.db2.gz GCVZUFRQUXRXPH-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@@H]1C 86679317 573558840 /nfs/dbraw/zinc/55/88/40/573558840.db2.gz GCVZUFRQUXRXPH-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C1C[NH+]([C@@H]2CCC[C@@H]2[NH3+])C1 86678300 573558859 /nfs/dbraw/zinc/55/88/59/573558859.db2.gz FXPBCQOHPHOWDV-WDEREUQCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H](C[NH3+])[NH+]1CC(C(C)(C)C)C1 86678907 573558937 /nfs/dbraw/zinc/55/89/37/573558937.db2.gz PWJTVHOZIYOBAK-QMMMGPOBSA-N 2 1 170.300 1.312 10 0 ADAEMP [NH3+][C@@H]1CCCCC[C@@H]1[NH+]1CC2(CC2)C1 86678601 573558974 /nfs/dbraw/zinc/55/89/74/573558974.db2.gz KIFWRFRUENFKFL-MNOVXSKESA-N 2 1 194.322 1.742 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@@H+]1CC[C@H]1C 86679763 573559054 /nfs/dbraw/zinc/55/90/54/573559054.db2.gz AJIXUHWNPDUBMF-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@H+]1CC[C@H]1C 86679763 573559060 /nfs/dbraw/zinc/55/90/60/573559060.db2.gz AJIXUHWNPDUBMF-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]([NH3+])C[NH+]1CC(C(C)C)C1 86678969 573559441 /nfs/dbraw/zinc/55/94/41/573559441.db2.gz MSPNVDNJVGHCKL-JTQLQIEISA-N 2 1 170.300 1.312 10 0 ADAEMP CCCC1C[NH+]([C@H]2CCC[C@@H]2[NH3+])C1 86678255 573559100 /nfs/dbraw/zinc/55/91/00/573559100.db2.gz AVNHZDVXHRDRLB-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[NH+]1CC2(CCCC2)C1 86678289 573559124 /nfs/dbraw/zinc/55/91/24/573559124.db2.gz GUPJPJLMKKFVTO-GHMZBOCLSA-N 2 1 194.322 1.742 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@]2(C)NC(C)(C)CO2)C1 258781406 573559156 /nfs/dbraw/zinc/55/91/56/573559156.db2.gz XFFNNHSJYUKWHA-ONGXEEELSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@]2(C)[NH2+]C(C)(C)CO2)C1 258781406 573559165 /nfs/dbraw/zinc/55/91/65/573559165.db2.gz XFFNNHSJYUKWHA-ONGXEEELSA-N 2 1 198.310 1.053 10 0 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JHMKWOMIMFRCAY-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@H]1CCC[NH2+][C@H]1C 308623098 573560926 /nfs/dbraw/zinc/56/09/26/573560926.db2.gz XLXXDBJYBNIRTA-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP [NH3+][C@@H]1CCCCC[C@H]1[NH+]1CC2(CC2)C1 86678597 573560968 /nfs/dbraw/zinc/56/09/68/573560968.db2.gz KIFWRFRUENFKFL-GHMZBOCLSA-N 2 1 194.322 1.742 10 0 ADAEMP C[NH2+]C[C@H]1CCC(C)(C)[N@@H+](C)C1 259508688 573561405 /nfs/dbraw/zinc/56/14/05/573561405.db2.gz UHYJDFMDQUFXHO-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[N@H+]1CC[C@H]([C@]2(C)NC(C)(C)CO2)C1 258781372 573561421 /nfs/dbraw/zinc/56/14/21/573561421.db2.gz XFFNNHSJYUKWHA-GXSJLCMTSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1(C)C[NH+]([C@@H]2CCCCC[C@@H]2[NH3+])C1 86678612 573561432 /nfs/dbraw/zinc/56/14/32/573561432.db2.gz QEFUPMPYZCGLCK-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@H]([C@]2(C)[NH2+]C(C)(C)CO2)C1 258781372 573561437 /nfs/dbraw/zinc/56/14/37/573561437.db2.gz XFFNNHSJYUKWHA-GXSJLCMTSA-N 2 1 198.310 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/nfs/dbraw/zinc/56/22/12/573562212.db2.gz QEFUPMPYZCGLCK-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+](C)C1 107399569 573562390 /nfs/dbraw/zinc/56/23/90/573562390.db2.gz IGVUGHFXTUWLRQ-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP [NH3+]CC1([NH+]2CC3(CCC3)C2)CCCC1 86679177 573562392 /nfs/dbraw/zinc/56/23/92/573562392.db2.gz ZMYIVFJOTXCXHY-UHFFFAOYSA-N 2 1 194.322 1.744 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH+]1CC(C)(C)C1 86679802 573562422 /nfs/dbraw/zinc/56/24/22/573562422.db2.gz VVCAJNKXBYDUKG-SECBINFHSA-N 2 1 170.300 1.312 10 0 ADAEMP [NH3+]C[C@H](C1CC1)[NH+]1CC2(CCCC2)C1 86679578 573562453 /nfs/dbraw/zinc/56/24/53/573562453.db2.gz WOGLMQAIAMUGTA-LLVKDONJSA-N 2 1 194.322 1.600 10 0 ADAEMP CCC1C[NH+]([C@H]2CCC[C@H]2[NH3+])C1 86678267 573562466 /nfs/dbraw/zinc/56/24/66/573562466.db2.gz AVMLSJGCRRNVBK-ZJUUUORDSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 86678712 573562591 /nfs/dbraw/zinc/56/25/91/573562591.db2.gz OAQWNALNQCLLPZ-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CCC1(CC)C[NH+]([C@@H]2CCC[C@@H]2[NH3+])C1 86678275 573563529 /nfs/dbraw/zinc/56/35/29/573563529.db2.gz IWWKJIKTPMUDCJ-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCC1C[NH+]([C@@H]2CCC[C@@H]2[NH3+])C1 86678253 573563006 /nfs/dbraw/zinc/56/30/06/573563006.db2.gz AVNHZDVXHRDRLB-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 86678713 573563096 /nfs/dbraw/zinc/56/30/96/573563096.db2.gz OAQWNALNQCLLPZ-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C1(C[NH3+])CCCC1 86679167 573563104 /nfs/dbraw/zinc/56/31/04/573563104.db2.gz VUMPZKFHUAOGJH-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC1C[NH+]([C@H]2CCC[C@@H]2[NH3+])C1 86678263 573564368 /nfs/dbraw/zinc/56/43/68/573564368.db2.gz AVMLSJGCRRNVBK-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[NH+]([C@H]2CCC[C@@H]2[NH3+])C1 86678367 573563186 /nfs/dbraw/zinc/56/31/86/573563186.db2.gz TWEVGPNQIMOGGR-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 86679849 573563266 /nfs/dbraw/zinc/56/32/66/573563266.db2.gz RSFNIHXDGOHKNX-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[NH+]([C@H]2CCCCC[C@H]2[NH3+])C1 86678618 573563321 /nfs/dbraw/zinc/56/33/21/573563321.db2.gz QEFUPMPYZCGLCK-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)C1C[NH+](C(C)(C)C[NH3+])C1 86678105 573563343 /nfs/dbraw/zinc/56/33/43/573563343.db2.gz PCWYASHAWAALHW-UHFFFAOYSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC[C@@H]1CC[NH2+]C1 86678766 573563393 /nfs/dbraw/zinc/56/33/93/573563393.db2.gz GKFSXGBPIXYNHE-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC1(C)C[NH+](C2(C[NH3+])CCCC2)C1 86679184 573563407 /nfs/dbraw/zinc/56/34/07/573563407.db2.gz ZVINIGSWZDYTPQ-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@@H+]1CC[C@H]1C 86679315 573563426 /nfs/dbraw/zinc/56/34/26/573563426.db2.gz GCVZUFRQUXRXPH-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@H]1C 86679315 573563434 /nfs/dbraw/zinc/56/34/34/573563434.db2.gz GCVZUFRQUXRXPH-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+]CC[N@H+](C)C[C@H](C)CC(F)F 688725435 573563548 /nfs/dbraw/zinc/56/35/48/573563548.db2.gz FEMBOGMCGLYOGP-MRVPVSSYSA-N 2 1 194.269 1.429 10 0 ADAEMP C[NH2+]CC[N@@H+](C)C[C@H](C)CC(F)F 688725435 573563553 /nfs/dbraw/zinc/56/35/53/573563553.db2.gz FEMBOGMCGLYOGP-MRVPVSSYSA-N 2 1 194.269 1.429 10 0 ADAEMP CCC1C[NH+](C(C)(C)C[NH3+])C1 86678093 573563849 /nfs/dbraw/zinc/56/38/49/573563849.db2.gz MUOZVOCZSIIWPE-UHFFFAOYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)C[NH+]([C@@H]2CCC[C@@H]2[NH3+])C1 86678365 573563898 /nfs/dbraw/zinc/56/38/98/573563898.db2.gz TWEVGPNQIMOGGR-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@H]1CCCCC[C@@H]1[NH+]1CC2(CC2)C1 86678599 573564057 /nfs/dbraw/zinc/56/40/57/573564057.db2.gz KIFWRFRUENFKFL-QWRGUYRKSA-N 2 1 194.322 1.742 10 0 ADAEMP CC(C)C[N@@H+]1CCC=C[C@@H]1C[NH3+] 75414300 573564074 /nfs/dbraw/zinc/56/40/74/573564074.db2.gz DNMLDLYKWPNQCA-SNVBAGLBSA-N 2 1 168.284 1.232 10 0 ADAEMP CC(C)C[N@H+]1CCC=C[C@@H]1C[NH3+] 75414300 573564080 /nfs/dbraw/zinc/56/40/80/573564080.db2.gz DNMLDLYKWPNQCA-SNVBAGLBSA-N 2 1 168.284 1.232 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+](C)C1 107399572 573564252 /nfs/dbraw/zinc/56/42/52/573564252.db2.gz IGVUGHFXTUWLRQ-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1CC(C(C)(C)C)C1 86678844 573564307 /nfs/dbraw/zinc/56/43/07/573564307.db2.gz AVHILPRTEVSRLC-QMMMGPOBSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@H]1CCC[NH2+][C@@H]1C 308623099 573564331 /nfs/dbraw/zinc/56/43/31/573564331.db2.gz XLXXDBJYBNIRTA-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+](C)C1 107399574 573565014 /nfs/dbraw/zinc/56/50/14/573565014.db2.gz IGVUGHFXTUWLRQ-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]1Cc1cccc(C[NH3+])c1 86681818 573565184 /nfs/dbraw/zinc/56/51/84/573565184.db2.gz LMEMAOQHFCMGAG-SNVBAGLBSA-N 2 1 190.290 1.740 10 0 ADAEMP CC(C)C[N@@H+]1CCC=C[C@H]1C[NH3+] 75414302 573566656 /nfs/dbraw/zinc/56/66/56/573566656.db2.gz DNMLDLYKWPNQCA-JTQLQIEISA-N 2 1 168.284 1.232 10 0 ADAEMP CC(C)C[N@H+]1CCC=C[C@H]1C[NH3+] 75414302 573566659 /nfs/dbraw/zinc/56/66/59/573566659.db2.gz DNMLDLYKWPNQCA-JTQLQIEISA-N 2 1 168.284 1.232 10 0 ADAEMP Nc1cc[nH+]cc1[C@@H](F)[C@H]1CCC[NH2+]1 236359241 573566833 /nfs/dbraw/zinc/56/68/33/573566833.db2.gz KOGHJPGLCKKNBU-NXEZZACHSA-N 2 1 195.241 1.426 10 0 ADAEMP CCc1ccc(CC[NH2+]CC[NH3+])cc1 258781818 573566947 /nfs/dbraw/zinc/56/69/47/573566947.db2.gz PFXUOPRYXSMSPS-UHFFFAOYSA-N 2 1 192.306 1.340 10 0 ADAEMP CC(C)(C[NH2+]CC[NH3+])C1CCCC1 258778115 573566988 /nfs/dbraw/zinc/56/69/88/573566988.db2.gz OVEMUIWREPSYDD-UHFFFAOYSA-N 2 1 184.327 1.751 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@]2(C)[NH2+]CCO2)C1 258781086 573567033 /nfs/dbraw/zinc/56/70/33/573567033.db2.gz XEGRCQPMNXFYRJ-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP C[C@]1(F)CCC[N@@H+](CCC[NH3+])C1 258062703 573569037 /nfs/dbraw/zinc/56/90/37/573569037.db2.gz KUBFQXBCDGJKSH-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@@]1(F)CCC[N@H+](CCC[NH3+])C1 258062699 573569111 /nfs/dbraw/zinc/56/91/11/573569111.db2.gz KUBFQXBCDGJKSH-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@@]1(F)CCC[N@@H+](CCC[NH3+])C1 258062699 573569114 /nfs/dbraw/zinc/56/91/14/573569114.db2.gz KUBFQXBCDGJKSH-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP Nc1cc[nH+]cc1[C@H](F)[C@H]1CCC[NH2+]1 236360303 573569422 /nfs/dbraw/zinc/56/94/22/573569422.db2.gz KOGHJPGLCKKNBU-ZJUUUORDSA-N 2 1 195.241 1.426 10 0 ADAEMP CC(C)(C[NH2+]CC[NH3+])c1cccs1 258781750 573570450 /nfs/dbraw/zinc/57/04/50/573570450.db2.gz PESQBINAPNGNQY-UHFFFAOYSA-N 2 1 198.335 1.574 10 0 ADAEMP CCc1ccc(C[NH2+]C[C@H](C)[NH3+])cc1 258778039 573570494 /nfs/dbraw/zinc/57/04/94/573570494.db2.gz OUFPXTAUNOIMLO-JTQLQIEISA-N 2 1 192.306 1.686 10 0 ADAEMP Nc1cc[nH+]cc1C[NH+]1CCCCC1 257831853 573570618 /nfs/dbraw/zinc/57/06/18/573570618.db2.gz JNWHZAMTEWKHSV-UHFFFAOYSA-N 2 1 191.278 1.650 10 0 ADAEMP C[C@H]1[C@@H](C[NH3+])CCCC[N@H+]1C 238444463 573572710 /nfs/dbraw/zinc/57/27/10/573572710.db2.gz HYZBTNRCKIVEOS-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP [NH3+]C[C@]1(F)CC[N@H+]2CCCC[C@@H]2C1 257832326 573570814 /nfs/dbraw/zinc/57/08/14/573570814.db2.gz JZHVIEGDFIDQEG-ZJUUUORDSA-N 2 1 186.274 1.302 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@]2(C)[NH2+]CCO2)C1 258781105 573570969 /nfs/dbraw/zinc/57/09/69/573570969.db2.gz XEGRCQPMNXFYRJ-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP [NH3+]C[C@@]1(F)CC[N@H+]2CCCC[C@H]2C1 257832325 573571173 /nfs/dbraw/zinc/57/11/73/573571173.db2.gz JZHVIEGDFIDQEG-VHSXEESVSA-N 2 1 186.274 1.302 10 0 ADAEMP [NH3+]C[C@@]1(F)CC[N@H+]2CCCC[C@@H]2C1 257832323 573571200 /nfs/dbraw/zinc/57/12/00/573571200.db2.gz JZHVIEGDFIDQEG-NXEZZACHSA-N 2 1 186.274 1.302 10 0 ADAEMP [NH3+]CC1([C@@H]([NH3+])c2ccccc2F)CC1 259514144 573571393 /nfs/dbraw/zinc/57/13/93/573571393.db2.gz RUOWXFXQUPKYLX-JTQLQIEISA-N 2 1 194.253 1.564 10 0 ADAEMP CCC[N@@H+](C)CCC(C)(C)C[NH3+] 83636874 573571846 /nfs/dbraw/zinc/57/18/46/573571846.db2.gz KHONFVHREWXOCJ-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CC=C(C)CC1 75423257 573571996 /nfs/dbraw/zinc/57/19/96/573571996.db2.gz UUOGCCQUMCIIJM-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1CC=C(C)CC1 75423257 573571999 /nfs/dbraw/zinc/57/19/99/573571999.db2.gz UUOGCCQUMCIIJM-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)(C)[N@H+]1C[C@H](C[NH3+])CC1(C)C 259515782 573574178 /nfs/dbraw/zinc/57/41/78/573574178.db2.gz UWIPDRXQMSKLTP-VIFPVBQESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC(C)(C)C[NH3+] 83637336 573576574 /nfs/dbraw/zinc/57/65/74/573576574.db2.gz COLSXLPGQSIUDE-GHMZBOCLSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]2CCCC[C@H]12 107404513 573575757 /nfs/dbraw/zinc/57/57/57/573575757.db2.gz YWXMWHUMWFPCOY-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]([NH3+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C 107404396 573575830 /nfs/dbraw/zinc/57/58/30/573575830.db2.gz NBLREDYZAXTXLH-BFARCFIYSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1C[C@@H]2CCC[N@H+]2C1 107404462 573575912 /nfs/dbraw/zinc/57/59/12/573575912.db2.gz SBWXISJVQJADJO-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]CCCN1CCc2ccc[nH+]c21 258065115 573576043 /nfs/dbraw/zinc/57/60/43/573576043.db2.gz GTFAQAGMOYFUPW-UHFFFAOYSA-N 2 1 191.278 1.054 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]2CCC[C@H]12 107404491 573576049 /nfs/dbraw/zinc/57/60/49/573576049.db2.gz KZYIGIVXVJBBPE-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1CC[C@@H](CCC2([NH3+])CC2)C1 107404360 573576074 /nfs/dbraw/zinc/57/60/74/573576074.db2.gz MYGXVPMAACQZEW-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@H]([NH3+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C 107404398 573576118 /nfs/dbraw/zinc/57/61/18/573576118.db2.gz NBLREDYZAXTXLH-GQDPBHBBSA-N 2 1 168.284 1.206 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](F)CC[NH3+] 130512559 573576121 /nfs/dbraw/zinc/57/61/21/573576121.db2.gz VJHASDHPGGCLMD-MRVPVSSYSA-N 2 1 185.246 1.132 10 0 ADAEMP C[N@H+]1CC[C@H](CCC2([NH3+])CC2)C1 107404357 573576634 /nfs/dbraw/zinc/57/66/34/573576634.db2.gz MYGXVPMAACQZEW-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CCCC[C@H](C2([NH3+])CC2)C1 107404410 573576321 /nfs/dbraw/zinc/57/63/21/573576321.db2.gz DXIJHQJXZOAZEM-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CCC[C@H](CC2([NH3+])CC2)C1 107404363 573576505 /nfs/dbraw/zinc/57/65/05/573576505.db2.gz RUZDUYZXMBSIHT-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CCCC[C@@H](C2([NH3+])CC2)C1 107404413 573577643 /nfs/dbraw/zinc/57/76/43/573577643.db2.gz DXIJHQJXZOAZEM-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CC[C@H](CC(C)(C)CC[NH3+])C1 259114323 573577745 /nfs/dbraw/zinc/57/77/45/573577745.db2.gz LAQVELPDGZCOBX-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@](C)(F)C[NH3+])C1 257833003 573577757 /nfs/dbraw/zinc/57/77/57/573577757.db2.gz KGTBXLFNIIEYPT-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])C2(CCC2)C1 107404536 573577923 /nfs/dbraw/zinc/57/79/23/573577923.db2.gz SEEQOYMPEANQFS-SECBINFHSA-N 2 1 168.284 1.067 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]2CCC[C@@H]2C1 107404503 573578044 /nfs/dbraw/zinc/57/80/44/573578044.db2.gz BSXHOFJPNAIJSP-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@H](C2([NH3+])CC2)CC[N@H+]1C 107404417 573578083 /nfs/dbraw/zinc/57/80/83/573578083.db2.gz AWRWRYHOZOROQI-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@@H]2CCCC[NH2+]2)O1 258792269 573578089 /nfs/dbraw/zinc/57/80/89/573578089.db2.gz XSFURYKWOPQVBQ-VWYCJHECSA-N 2 1 198.310 1.243 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1C[C@@H]2CCCC[N@H+]2C1 107404483 573578102 /nfs/dbraw/zinc/57/81/02/573578102.db2.gz GBUYEBPIIHCNNI-AEJSXWLSSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H](C[NH3+])c1ccco1 82389879 573578213 /nfs/dbraw/zinc/57/82/13/573578213.db2.gz CQZNZZGUUQXBOF-ZJUUUORDSA-N 2 1 194.278 1.416 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+]CCO1 258065527 573578277 /nfs/dbraw/zinc/57/82/77/573578277.db2.gz GWCQNWJXIJBIFH-MNOVXSKESA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1C[C@H]1[NH2+]CCO1 258065527 573578283 /nfs/dbraw/zinc/57/82/83/573578283.db2.gz GWCQNWJXIJBIFH-MNOVXSKESA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@H]([NH3+])[C@H]1C[C@@H]2CCCC[N@H+]2C1 107404486 573578403 /nfs/dbraw/zinc/57/84/03/573578403.db2.gz GBUYEBPIIHCNNI-GUBZILKMSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]C[C@H]1C[C@H]2CCCC[N@H+]2C1 107404522 573578553 /nfs/dbraw/zinc/57/85/53/573578553.db2.gz VPCRNCGQFPBYFF-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@H]1C[NH2+]Cc2ccccc21 83643719 573578570 /nfs/dbraw/zinc/57/85/70/573578570.db2.gz ZOMFPIYZTRIXBC-JTQLQIEISA-N 2 1 176.263 1.093 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]2CCCC[C@H]12 107404474 573578579 /nfs/dbraw/zinc/57/85/79/573578579.db2.gz CTQOYBWNWBBGLX-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]CCc1ccc[nH]1 258792079 573578677 /nfs/dbraw/zinc/57/86/77/573578677.db2.gz JJNKGEAYYOUCBU-NSHDSACASA-N 2 1 195.310 1.130 10 0 ADAEMP C[NH2+]CC1C[C@@H]2CC[C@H](C1)[N@H+]2C 107404373 573578684 /nfs/dbraw/zinc/57/86/84/573578684.db2.gz HEIHAAOFPDZXOQ-PBINXNQUSA-N 2 1 168.284 1.079 10 0 ADAEMP CCCc1[nH]c(CC[C@@H](C)[NH3+])[nH+]c1C 258786512 573578704 /nfs/dbraw/zinc/57/87/04/573578704.db2.gz VIYAVUCJSLZNBF-MRVPVSSYSA-N 2 1 195.310 1.950 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+]2CCC[C@H]12 107404526 573578707 /nfs/dbraw/zinc/57/87/07/573578707.db2.gz OXOIANQXTZBOOI-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC2([NH3+])CC2)C1 107404364 573578805 /nfs/dbraw/zinc/57/88/05/573578805.db2.gz RUZDUYZXMBSIHT-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+]2CCC[C@H]12 107404496 573578845 /nfs/dbraw/zinc/57/88/45/573578845.db2.gz KZYIGIVXVJBBPE-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@@H]2CCCC[N@H+]2C1 107404517 573578878 /nfs/dbraw/zinc/57/88/78/573578878.db2.gz VPCRNCGQFPBYFF-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+]2CCCC[C@H]12 107404512 573578908 /nfs/dbraw/zinc/57/89/08/573578908.db2.gz YWXMWHUMWFPCOY-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP [NH3+]CC[C@H]1C[C@@H]2CCCC[N@H+]2C1 107404472 573578952 /nfs/dbraw/zinc/57/89/52/573578952.db2.gz RMQFHGLLKQASFJ-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@@H]2CCCC[NH2+]2)O1 258792252 573579096 /nfs/dbraw/zinc/57/90/96/573579096.db2.gz XSFURYKWOPQVBQ-OUAUKWLOSA-N 2 1 198.310 1.243 10 0 ADAEMP C[C@H]1C[C@@H](C2([NH3+])CC2)CC[N@H+]1C 107404428 573579124 /nfs/dbraw/zinc/57/91/24/573579124.db2.gz AWRWRYHOZOROQI-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@H+]2CCC[C@H]12 107404524 573579158 /nfs/dbraw/zinc/57/91/58/573579158.db2.gz OXOIANQXTZBOOI-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@@H](CC(C)(C)CC[NH3+])C1 259114322 573579257 /nfs/dbraw/zinc/57/92/57/573579257.db2.gz LAQVELPDGZCOBX-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]2CCC[C@@H]2C1 107404532 573579436 /nfs/dbraw/zinc/57/94/36/573579436.db2.gz CGLIWUSLCAKAHJ-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[C@@H](C2([NH3+])CC2)CC[N@H+]1C 107404423 573579540 /nfs/dbraw/zinc/57/95/40/573579540.db2.gz AWRWRYHOZOROQI-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)CC12CCC2 107404550 573579554 /nfs/dbraw/zinc/57/95/54/573579554.db2.gz PQWIDTMKIDHMIZ-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[NH2+]C[C@@H]1C[NH2+]Cc2ccccc21 83643722 573579562 /nfs/dbraw/zinc/57/95/62/573579562.db2.gz RDBYXWSWIACCBL-LLVKDONJSA-N 2 1 190.290 1.483 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)(C[C@H]2CCCC[NH2+]2)O1 258792215 573579600 /nfs/dbraw/zinc/57/96/00/573579600.db2.gz XSFURYKWOPQVBQ-GMTAPVOTSA-N 2 1 198.310 1.243 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@H]2CCCC[N@H+]2C1 107404520 573579608 /nfs/dbraw/zinc/57/96/08/573579608.db2.gz VPCRNCGQFPBYFF-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]CCc1ccc[nH]1 258792075 573579657 /nfs/dbraw/zinc/57/96/57/573579657.db2.gz JJNKGEAYYOUCBU-LLVKDONJSA-N 2 1 195.310 1.130 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)CC(C)C)CC1 258795311 573579630 /nfs/dbraw/zinc/57/96/30/573579630.db2.gz AAEAAWNTGVXSLN-UHFFFAOYSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]2C1 107404544 573579856 /nfs/dbraw/zinc/57/98/56/573579856.db2.gz XEUOZPNVGNZKFM-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[C@@H](C[NH2+]C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126551651 573579885 /nfs/dbraw/zinc/57/98/85/573579885.db2.gz PRSJZZUGPBPQTO-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]1C[C@H]1[NH2+]CCO1 258065537 573579891 /nfs/dbraw/zinc/57/98/91/573579891.db2.gz GWCQNWJXIJBIFH-QWRGUYRKSA-N 2 1 198.310 1.195 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1C[C@H]1[NH2+]CCO1 258065537 573579895 /nfs/dbraw/zinc/57/98/95/573579895.db2.gz GWCQNWJXIJBIFH-QWRGUYRKSA-N 2 1 198.310 1.195 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1C[C@@H]2CCC[N@H+]2C1 107404467 573579914 /nfs/dbraw/zinc/57/99/14/573579914.db2.gz SBWXISJVQJADJO-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)(C[C@H]2CCCC[NH2+]2)O1 258792234 573579937 /nfs/dbraw/zinc/57/99/37/573579937.db2.gz XSFURYKWOPQVBQ-MXWKQRLJSA-N 2 1 198.310 1.243 10 0 ADAEMP C[C@H]1C[C@H](C2([NH3+])CC2)CC[N@H+]1C 107404420 573579956 /nfs/dbraw/zinc/57/99/56/573579956.db2.gz AWRWRYHOZOROQI-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]C[C@H]1C[C@@H]2CCCC[N@H+]2C1 107404519 573579984 /nfs/dbraw/zinc/57/99/84/573579984.db2.gz VPCRNCGQFPBYFF-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP [NH3+]CC[C@@H]1C[C@@H]2CCCC[N@H+]2C1 107404469 573580073 /nfs/dbraw/zinc/58/00/73/573580073.db2.gz RMQFHGLLKQASFJ-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP C[NH2+]C[C@@H]1C[NH2+]Cc2ccccc21 83643717 573580099 /nfs/dbraw/zinc/58/00/99/573580099.db2.gz ZOMFPIYZTRIXBC-SNVBAGLBSA-N 2 1 176.263 1.093 10 0 ADAEMP CC[C@H](C[NH2+]C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126551867 573580247 /nfs/dbraw/zinc/58/02/47/573580247.db2.gz PRSJZZUGPBPQTO-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1C[NH2+]Cc2ccccc21 83643724 573580407 /nfs/dbraw/zinc/58/04/07/573580407.db2.gz RDBYXWSWIACCBL-NSHDSACASA-N 2 1 190.290 1.483 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@](C)(F)C[NH3+])C1 257833004 573580422 /nfs/dbraw/zinc/58/04/22/573580422.db2.gz KGTBXLFNIIEYPT-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP CC(C)[C@@H](C[NH3+])C[C@H]1CCC[N@@H+](C)C1 259115296 573580583 /nfs/dbraw/zinc/58/05/83/573580583.db2.gz BQQHYBMNVWKUOL-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)C)CC1(C)C 259114619 573580780 /nfs/dbraw/zinc/58/07/80/573580780.db2.gz BQNDRVBPERFTOS-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@H+](Cc1cc[nH]c1)C[C@H]1CC[NH2+]C1 258805398 573581376 /nfs/dbraw/zinc/58/13/76/573581376.db2.gz DDRJOHWZVLXRLY-NSHDSACASA-N 2 1 193.294 1.056 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+](C)CCC1CC1 308403741 573581380 /nfs/dbraw/zinc/58/13/80/573581380.db2.gz KDPLVUYWNAZPFF-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+](C)CCC1CC1 308403741 573581383 /nfs/dbraw/zinc/58/13/83/573581383.db2.gz KDPLVUYWNAZPFF-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CCC1CC1)C(C)C 308639597 573581444 /nfs/dbraw/zinc/58/14/44/573581444.db2.gz DJIDIZPHNKOVHR-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CCC1CC1)C(C)C 308639597 573581446 /nfs/dbraw/zinc/58/14/46/573581446.db2.gz DJIDIZPHNKOVHR-GFCCVEGCSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[N@@H+](C)CC1(C[NH2+]C)CCC1 259116778 573581497 /nfs/dbraw/zinc/58/14/97/573581497.db2.gz XZDFSIVHOINGRJ-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126547816 573581558 /nfs/dbraw/zinc/58/15/58/573581558.db2.gz ZVBHQLPEYFVRFN-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([NH2+]C3CC3)[C@@H]2C1 107412714 573581570 /nfs/dbraw/zinc/58/15/70/573581570.db2.gz VQJMSODZLFYQPZ-QWRGUYRKSA-N 2 1 180.295 1.365 10 0 ADAEMP C[N@@H+](CC1CCC1)C(C)(C)CC[NH3+] 258798167 573581892 /nfs/dbraw/zinc/58/18/92/573581892.db2.gz JVTNDESKNAQJKK-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1C[C@H]2CCC[C@H]2C1 126548028 573581897 /nfs/dbraw/zinc/58/18/97/573581897.db2.gz ZVBHQLPEYFVRFN-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[C@H]2C[C@]3(CC[NH2+]C3)CC[N@H+]2C1 107412711 573581916 /nfs/dbraw/zinc/58/19/16/573581916.db2.gz YYWSCLHIACGDHU-QWRGUYRKSA-N 2 1 180.295 1.224 10 0 ADAEMP CO[C@@]1(C)CCC[N@@H+](C/C=C\C[NH3+])C1 308403980 573582252 /nfs/dbraw/zinc/58/22/52/573582252.db2.gz GVFSIMGZLRSAEG-BYCRGOAPSA-N 2 1 198.310 1.002 10 0 ADAEMP CC[N@@H+](C)CC(C)(C)C(C)(C)[NH3+] 83645520 573582398 /nfs/dbraw/zinc/58/23/98/573582398.db2.gz ZZJHFAHIHVQHJR-UHFFFAOYSA-N 2 1 172.316 1.702 10 0 ADAEMP CCc1[nH]c([C@H]2CCC[NH2+]C2)c(C)[nH+]1 257833091 573582440 /nfs/dbraw/zinc/58/24/40/573582440.db2.gz KAFYKTPFFBQGCG-VIFPVBQESA-N 2 1 193.294 1.748 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308402104 573582646 /nfs/dbraw/zinc/58/26/46/573582646.db2.gz JDFSAERRNIOPNW-ZNSHCXBVSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1CO[C@@H](C[C@H]2CCC[N@@H+](C)C2)[NH2+]1 258800018 573582658 /nfs/dbraw/zinc/58/26/58/573582658.db2.gz YBMZJHGOYPLZAA-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP C1C[C@H]2C[C@@]3(CC[NH2+]C3)CC[N@H+]2C1 107412707 573582940 /nfs/dbraw/zinc/58/29/40/573582940.db2.gz YYWSCLHIACGDHU-WDEREUQCSA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[C@@H]2C[C@@]3(CC[NH2+]C3)CC[N@H+]2C1 107412706 573582963 /nfs/dbraw/zinc/58/29/63/573582963.db2.gz YYWSCLHIACGDHU-GHMZBOCLSA-N 2 1 180.295 1.224 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[C@@H]1CCC[N@@H+](C)C1 259115293 573582988 /nfs/dbraw/zinc/58/29/88/573582988.db2.gz BQQHYBMNVWKUOL-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)C[NH3+])C1 259520071 573583021 /nfs/dbraw/zinc/58/30/21/573583021.db2.gz SRUPIDRPQOJQBB-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+][C@@H](C[C@@H](C)[NH3+])c1ccc(C)o1 259519590 573583217 /nfs/dbraw/zinc/58/32/17/573583217.db2.gz SCLBJZIQUBBDKS-APPZFPTMSA-N 2 1 182.267 1.586 10 0 ADAEMP C[NH2+][C@@H](C[C@H](C)[NH3+])c1ccc(C)o1 259519591 573583385 /nfs/dbraw/zinc/58/33/85/573583385.db2.gz SCLBJZIQUBBDKS-CBAPKCEASA-N 2 1 182.267 1.586 10 0 ADAEMP C1C[C@@H]2C[C@]3(CC[NH2+]C3)CC[N@H+]2C1 107412709 573585130 /nfs/dbraw/zinc/58/51/30/573585130.db2.gz YYWSCLHIACGDHU-MNOVXSKESA-N 2 1 180.295 1.224 10 0 ADAEMP CC(C)[N@@H+]1CC=C(C[NH2+]C2CC2)C1 258066392 573584559 /nfs/dbraw/zinc/58/45/59/573584559.db2.gz MALAGUZLQCQGDV-UHFFFAOYSA-N 2 1 180.295 1.389 10 0 ADAEMP CC(C)[N@H+]1CC=C(C[NH2+]C2CC2)C1 258066392 573584568 /nfs/dbraw/zinc/58/45/68/573584568.db2.gz MALAGUZLQCQGDV-UHFFFAOYSA-N 2 1 180.295 1.389 10 0 ADAEMP C[C@@H]1CO[C@H](C[C@H]2CCC[N@@H+](C)C2)[NH2+]1 258799982 573584590 /nfs/dbraw/zinc/58/45/90/573584590.db2.gz YBMZJHGOYPLZAA-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[C@H]1CCC[N@@H+](C)C1 259115286 573584689 /nfs/dbraw/zinc/58/46/89/573584689.db2.gz BQQHYBMNVWKUOL-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308402102 573584887 /nfs/dbraw/zinc/58/48/87/573584887.db2.gz JDFSAERRNIOPNW-UKKRHICBSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)Cc1ccc[nH]1 258802655 573584959 /nfs/dbraw/zinc/58/49/59/573584959.db2.gz CYIKEZYLOLXVTA-SNVBAGLBSA-N 2 1 195.310 1.574 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)CC1(C)C 259114617 573585155 /nfs/dbraw/zinc/58/51/55/573585155.db2.gz BQNDRVBPERFTOS-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CO[C@@H](C[C@@H]2CCC[N@@H+](C)C2)[NH2+]1 258800064 573585245 /nfs/dbraw/zinc/58/52/45/573585245.db2.gz YBMZJHGOYPLZAA-VWYCJHECSA-N 2 1 198.310 1.053 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]([NH2+]C3CC3)[C@@H]2C1 107412717 573585331 /nfs/dbraw/zinc/58/53/31/573585331.db2.gz VQJMSODZLFYQPZ-MNOVXSKESA-N 2 1 180.295 1.365 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([C@H](C)C[NH3+])C1 259520067 573586578 /nfs/dbraw/zinc/58/65/78/573586578.db2.gz SRUPIDRPQOJQBB-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CCCn1cc[nH+]c1C[C@@H](F)CC[NH3+] 130454248 573586782 /nfs/dbraw/zinc/58/67/82/573586782.db2.gz HIOOSJKIVJEUSX-VIFPVBQESA-N 2 1 199.273 1.523 10 0 ADAEMP CCCCC[NH2+][C@H]1C[NH2+]C(C)(C)C1 258813558 573590311 /nfs/dbraw/zinc/59/03/11/573590311.db2.gz UMDJFQZIYXABEC-SNVBAGLBSA-N 2 1 184.327 1.907 10 0 ADAEMP Cc1ccc([C@@H](C[C@@H](C)[NH3+])[NH+](C)C)o1 259516627 573588342 /nfs/dbraw/zinc/58/83/42/573588342.db2.gz MNROWPUFAAFAJP-PSASIEDQSA-N 2 1 196.294 1.928 10 0 ADAEMP C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C(C)(C)C1 107415302 573588515 /nfs/dbraw/zinc/58/85/15/573588515.db2.gz RCAFNDKNSFLPEN-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH2+]CC)[C@H](C)C1 308405180 573588575 /nfs/dbraw/zinc/58/85/75/573588575.db2.gz LCPKVRYXLMJALS-GJJFQZOLSA-N 2 1 196.338 1.882 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@H]([NH2+]CC)[C@H](C)C1 308405180 573588577 /nfs/dbraw/zinc/58/85/77/573588577.db2.gz LCPKVRYXLMJALS-GJJFQZOLSA-N 2 1 196.338 1.882 10 0 ADAEMP C[NH2+][C@H](C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 107415262 573588668 /nfs/dbraw/zinc/58/86/68/573588668.db2.gz ABEVTQHOMKDVSL-UBJLHIIHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+][C@@H](C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 107415259 573589419 /nfs/dbraw/zinc/58/94/19/573589419.db2.gz ABEVTQHOMKDVSL-OFLUOSHYSA-N 2 1 182.311 1.467 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1[C@H]1C[NH2+][C@H](C)C1 258063786 573589590 /nfs/dbraw/zinc/58/95/90/573589590.db2.gz DWFOIMGFBURCGT-IJLUTSLNSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCC[C@H]2CCC[C@@H]21 83699970 573589791 /nfs/dbraw/zinc/58/97/91/573589791.db2.gz BZTQFLYAXWANEE-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C(C)(C)C1 107415299 573589957 /nfs/dbraw/zinc/58/99/57/573589957.db2.gz RCAFNDKNSFLPEN-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+][C@@H](C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 259117817 573589976 /nfs/dbraw/zinc/58/99/76/573589976.db2.gz BWBAZRWUKAXCHZ-IUCAKERBSA-N 2 1 179.267 1.157 10 0 ADAEMP C[NH2+]CC(C)(C)[N@H+](C)C1CCC1 258810197 573590057 /nfs/dbraw/zinc/59/00/57/573590057.db2.gz KSQDQECTUHSQKH-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]CC(C)(C)[N@@H+](C)C1CCC1 258810197 573590064 /nfs/dbraw/zinc/59/00/64/573590064.db2.gz KSQDQECTUHSQKH-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@H]([NH2+]CC)[C@@H](C)C1 308405181 573590211 /nfs/dbraw/zinc/59/02/11/573590211.db2.gz LCPKVRYXLMJALS-XSCYXQHBSA-N 2 1 196.338 1.882 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@H]([NH2+]CC)[C@@H](C)C1 308405181 573590216 /nfs/dbraw/zinc/59/02/16/573590216.db2.gz LCPKVRYXLMJALS-XSCYXQHBSA-N 2 1 196.338 1.882 10 0 ADAEMP [NH3+]CCC1(C[N@H+]2CC[C@@H](F)C2)CC1 689908675 573591201 /nfs/dbraw/zinc/59/12/01/573591201.db2.gz JRBRCWNRVUUYGT-SECBINFHSA-N 2 1 186.274 1.159 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH+](C)C)[C@@H](C)[NH2+]1 238443583 573591530 /nfs/dbraw/zinc/59/15/30/573591530.db2.gz CKRCZGKZLJEIIB-IWSPIJDZSA-N 2 1 156.273 1.077 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@@H]2[NH2+]CC(C)(C)O2)C1 258808925 573591594 /nfs/dbraw/zinc/59/15/94/573591594.db2.gz YGXMYTGIKMBMEY-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258063784 573591891 /nfs/dbraw/zinc/59/18/91/573591891.db2.gz DWFOIMGFBURCGT-GRYCIOLGSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1CCCC(C)(C)CC1 83680632 573593754 /nfs/dbraw/zinc/59/37/54/573593754.db2.gz PABYRPFBBQTNJD-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CC(C)[C@H]1C[NH2+]CC[N@H+]2CCC[C@H]12 82394792 573593768 /nfs/dbraw/zinc/59/37/68/573593768.db2.gz IVWOYOHYGBQWRE-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP Cc1ccc([C@H]([C@H](C)C[NH3+])[NH+](C)C)o1 259520486 573593734 /nfs/dbraw/zinc/59/37/34/573593734.db2.gz MSCABJVNVIYDSS-KCJUWKMLSA-N 2 1 196.294 1.786 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCC(C)(C)CC1 83680632 573593747 /nfs/dbraw/zinc/59/37/47/573593747.db2.gz PABYRPFBBQTNJD-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@H]2[NH2+]CC(C)(C)O2)C1 258808927 573593713 /nfs/dbraw/zinc/59/37/13/573593713.db2.gz YGXMYTGIKMBMEY-ZJUUUORDSA-N 2 1 198.310 1.053 10 0 ADAEMP C[NH2+][C@@H]1CC[NH2+][C@@H](c2cccs2)C1 259134792 573595498 /nfs/dbraw/zinc/59/54/98/573595498.db2.gz IEXBXKQUDHQDOG-RKDXNWHRSA-N 2 1 196.319 1.761 10 0 ADAEMP C[NH2+][C@H]1CC[NH2+][C@H](c2cccs2)C1 259134790 573595542 /nfs/dbraw/zinc/59/55/42/573595542.db2.gz IEXBXKQUDHQDOG-IUCAKERBSA-N 2 1 196.319 1.761 10 0 ADAEMP CC1(C)C([NH2+][C@H]2CC[NH2+]C2)C1(C)C 86731046 573595698 /nfs/dbraw/zinc/59/56/98/573595698.db2.gz OKMQEENIDUPNBA-QMMMGPOBSA-N 2 1 182.311 1.373 10 0 ADAEMP C[N@H+]1CCC[NH2+]C[C@H]2CCCC[C@@H]21 82394923 573595765 /nfs/dbraw/zinc/59/57/65/573595765.db2.gz UCSPBHQUBOHWNL-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700424 573595953 /nfs/dbraw/zinc/59/59/53/573595953.db2.gz GTBVZVHIJZKJOM-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700424 573595958 /nfs/dbraw/zinc/59/59/58/573595958.db2.gz GTBVZVHIJZKJOM-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700502 573596090 /nfs/dbraw/zinc/59/60/90/573596090.db2.gz INFOFSRVSWOXFA-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700502 573596098 /nfs/dbraw/zinc/59/60/98/573596098.db2.gz INFOFSRVSWOXFA-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@]1(C[NH2+][C@H]2CC2(C)C)CCC[NH2+]1 215405827 573596141 /nfs/dbraw/zinc/59/61/41/573596141.db2.gz YOUQUSNYTGNBLI-JQWIXIFHSA-N 2 1 196.338 1.907 10 0 ADAEMP C[NH2+][C@H]1CC[NH2+][C@@H](c2cccs2)C1 259134788 573596151 /nfs/dbraw/zinc/59/61/51/573596151.db2.gz IEXBXKQUDHQDOG-DTWKUNHWSA-N 2 1 196.319 1.761 10 0 ADAEMP C[C@H]([NH3+])C1C[NH+](Cc2ccccc2)C1 107420538 573596162 /nfs/dbraw/zinc/59/61/62/573596162.db2.gz XTMFRXSYRDGYDJ-JTQLQIEISA-N 2 1 190.290 1.466 10 0 ADAEMP NC(=[NH2+])CC[N@H+]1CCC[C@@H]2CCC[C@H]21 83701180 573596168 /nfs/dbraw/zinc/59/61/68/573596168.db2.gz DJGJGCRIFPCBMQ-VHSXEESVSA-N 2 1 195.310 1.577 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@@H]([C@@H](F)C[NH3+])C1 257835921 573596818 /nfs/dbraw/zinc/59/68/18/573596818.db2.gz KQRKFNMVFVAZAO-BDAKNGLRSA-N 2 1 188.290 1.404 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700422 573596522 /nfs/dbraw/zinc/59/65/22/573596522.db2.gz GTBVZVHIJZKJOM-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700422 573596527 /nfs/dbraw/zinc/59/65/27/573596527.db2.gz GTBVZVHIJZKJOM-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])[C@H](C2CCCCC2)C1 82394960 573596670 /nfs/dbraw/zinc/59/66/70/573596670.db2.gz FBCKDUCZBBCBMU-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])[C@H](C2CCCCC2)C1 82394960 573596673 /nfs/dbraw/zinc/59/66/73/573596673.db2.gz FBCKDUCZBBCBMU-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)C[NH+]1CCC([NH3+])(CF)CC1 259523217 573596723 /nfs/dbraw/zinc/59/67/23/573596723.db2.gz AKKGYXSGZBYOSL-UHFFFAOYSA-N 2 1 188.290 1.405 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)C)[C@@H]1C 259139170 573597803 /nfs/dbraw/zinc/59/78/03/573597803.db2.gz DPANXERZNRWQJD-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@H]([C@H](F)C[NH3+])C1 257835923 573597818 /nfs/dbraw/zinc/59/78/18/573597818.db2.gz KQRKFNMVFVAZAO-DTWKUNHWSA-N 2 1 188.290 1.404 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700503 573597573 /nfs/dbraw/zinc/59/75/73/573597573.db2.gz RABTTWJVYMFDNH-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C1C[C@H]2C[N@@H+](C1)CC[C@@]21CCC[NH2+]C1 107428395 573597657 /nfs/dbraw/zinc/59/76/57/573597657.db2.gz ULMUQIJYFVMXRQ-NWDGAFQWSA-N 2 1 194.322 1.472 10 0 ADAEMP CC(C)[N@@H+]1CC=C(C[NH2+]C2CC2)CC1 258070571 573597736 /nfs/dbraw/zinc/59/77/36/573597736.db2.gz MGAXUYMUFCRXDL-UHFFFAOYSA-N 2 1 194.322 1.779 10 0 ADAEMP C[NH2+]CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 83700676 573597737 /nfs/dbraw/zinc/59/77/37/573597737.db2.gz ODVQGMWARKIRAA-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 83700676 573597742 /nfs/dbraw/zinc/59/77/42/573597742.db2.gz ODVQGMWARKIRAA-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+](C)C[C@]1(CC)CCC[NH2+]1 215402646 573599094 /nfs/dbraw/zinc/59/90/94/573599094.db2.gz PGQKFVHHMYAOSX-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[NH2+]CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700673 573598825 /nfs/dbraw/zinc/59/88/25/573598825.db2.gz ODVQGMWARKIRAA-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[N@H+]1CCC[C@H]2CCC[C@@H]21 83700673 573598829 /nfs/dbraw/zinc/59/88/29/573598829.db2.gz ODVQGMWARKIRAA-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)[C@@H]1C 259139171 573598836 /nfs/dbraw/zinc/59/88/36/573598836.db2.gz DPANXERZNRWQJD-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC[N@@H+](C)C[C@]1(CC)CCC[NH2+]1 215402646 573599099 /nfs/dbraw/zinc/59/90/99/573599099.db2.gz PGQKFVHHMYAOSX-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C2(CCC2)C1 107428497 573598933 /nfs/dbraw/zinc/59/89/33/573598933.db2.gz QRUXUQZMEYIYAM-MNOVXSKESA-N 2 1 194.322 1.470 10 0 ADAEMP CC[N@H+](C)C[C@@]1(CC)CCC[NH2+]1 215402614 573599880 /nfs/dbraw/zinc/59/98/80/573599880.db2.gz PGQKFVHHMYAOSX-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[N@@H+](C)C[C@@]1(CC)CCC[NH2+]1 215402614 573599884 /nfs/dbraw/zinc/59/98/84/573599884.db2.gz PGQKFVHHMYAOSX-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP NC(=[NH2+])CC[N@H+]1CCC[C@H]2CCC[C@H]21 83701178 573600102 /nfs/dbraw/zinc/60/01/02/573600102.db2.gz DJGJGCRIFPCBMQ-NXEZZACHSA-N 2 1 195.310 1.577 10 0 ADAEMP CCCCC[N@@H+]1CC=C(C[NH3+])CC1 259137239 573600309 /nfs/dbraw/zinc/60/03/09/573600309.db2.gz IGSNEEKSDAXALX-UHFFFAOYSA-N 2 1 182.311 1.767 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)[C@H]1C 259139172 573600928 /nfs/dbraw/zinc/60/09/28/573600928.db2.gz DPANXERZNRWQJD-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C(C)(C)C 686247309 573601317 /nfs/dbraw/zinc/60/13/17/573601317.db2.gz WMZOMKMRGIUYET-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP CCCC(=[NH2+])NC1(C[NH+](C)C)CCC1 393539501 573601339 /nfs/dbraw/zinc/60/13/39/573601339.db2.gz WTLBEMLTFTYEAT-UHFFFAOYSA-N 2 1 197.326 1.838 10 0 ADAEMP CC[C@@]1(C[NH2+][C@@H]2CC2(C)C)CCC[NH2+]1 215405738 573601562 /nfs/dbraw/zinc/60/15/62/573601562.db2.gz YOUQUSNYTGNBLI-PWSUYJOCSA-N 2 1 196.338 1.907 10 0 ADAEMP Cn1cc[nH+]c1CC[C@@H]1CCC[NH2+]C1 86753174 573603798 /nfs/dbraw/zinc/60/37/98/573603798.db2.gz PUJJQPNNYULXKV-JTQLQIEISA-N 2 1 193.294 1.352 10 0 ADAEMP C[N@@H+]1C[C@@H]2CC(C)(F)C[C@H](C1)C2[NH3+] 259525527 573602719 /nfs/dbraw/zinc/60/27/19/573602719.db2.gz ARRFBIBLLMFJRN-BQKDNTBBSA-N 2 1 186.274 1.014 10 0 ADAEMP C[N@@H+](CCCCC(N)=[NH2+])CCC1CC1 308649104 573602811 /nfs/dbraw/zinc/60/28/11/573602811.db2.gz JHQXBTADWYIVPW-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP CCC[N@@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259125106 573602817 /nfs/dbraw/zinc/60/28/17/573602817.db2.gz CMUWZAIZPJIPDV-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@@H]([NH2+]C)C1 259125106 573602822 /nfs/dbraw/zinc/60/28/22/573602822.db2.gz CMUWZAIZPJIPDV-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[C@H]([NH3+])c1ccccn1 259526103 573602964 /nfs/dbraw/zinc/60/29/64/573602964.db2.gz SNAXXSLKINNUKK-KOLCDFICSA-N 2 1 193.294 1.312 10 0 ADAEMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C 686247310 573603049 /nfs/dbraw/zinc/60/30/49/573603049.db2.gz WMZOMKMRGIUYET-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@H](C[NH3+])[C@@H]([NH3+])c1ccccn1 259526102 573603366 /nfs/dbraw/zinc/60/33/66/573603366.db2.gz SNAXXSLKINNUKK-GXSJLCMTSA-N 2 1 193.294 1.312 10 0 ADAEMP CCCCC[N@H+]1CC[C@H]([NH3+])C1(C)C 259525005 573603485 /nfs/dbraw/zinc/60/34/85/573603485.db2.gz VMXMXLOCPPCZKK-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@@H+](CCC(N)=[NH2+])CC1(C)CCCC1 308648543 573603648 /nfs/dbraw/zinc/60/36/48/573603648.db2.gz ISJBITPZYKQLSE-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[C@@H]1[NH3+] 86753445 573606265 /nfs/dbraw/zinc/60/62/65/573606265.db2.gz OHHCEOQSBYWMAD-IUCAKERBSA-N 2 1 179.267 1.090 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@H](F)CC1 258066928 573603874 /nfs/dbraw/zinc/60/38/74/573603874.db2.gz LBBSQVKOYFHOQG-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1 75542973 573603978 /nfs/dbraw/zinc/60/39/78/573603978.db2.gz GWWPRNWHLPPSPL-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H](CCC[NH3+])C1 75542971 573604208 /nfs/dbraw/zinc/60/42/08/573604208.db2.gz CGSCDMBESXOKPB-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCC[N@@H+](C)C1 75542979 573604475 /nfs/dbraw/zinc/60/44/75/573604475.db2.gz GWWPRNWHLPPSPL-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CC[C@@H]([NH3+])C1 86753842 573606219 /nfs/dbraw/zinc/60/62/19/573606219.db2.gz UYJPHDHFOPWZTN-RKDXNWHRSA-N 2 1 179.267 1.090 10 0 ADAEMP CC(C)CCCC[N@@H+]1CC[C@@H]([NH3+])C1 147564924 573604537 /nfs/dbraw/zinc/60/45/37/573604537.db2.gz HVTAQGXUNLTADC-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CCCC[N@H+]1CC[C@@H]([NH3+])C1 147564924 573604545 /nfs/dbraw/zinc/60/45/45/573604545.db2.gz HVTAQGXUNLTADC-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@@H]1CCC(C)(C)[N@@H+](C2CC2)C1 259525021 573604597 /nfs/dbraw/zinc/60/45/97/573604597.db2.gz VNOYDDJSKHPHPH-SECBINFHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CCC(C)(C)[N@H+](C2CC2)C1 259525021 573604599 /nfs/dbraw/zinc/60/45/99/573604599.db2.gz VNOYDDJSKHPHPH-SECBINFHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CC[C@@H]([NH3+])C1 223182177 573604943 /nfs/dbraw/zinc/60/49/43/573604943.db2.gz ZWVHXTQACDIIMS-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@H](C[NH3+])[C@H]([NH3+])c1ccccn1 259526105 573605066 /nfs/dbraw/zinc/60/50/66/573605066.db2.gz SNAXXSLKINNUKK-ONGXEEELSA-N 2 1 193.294 1.312 10 0 ADAEMP C[NH2+][C@@H](C[C@H](C)[NH3+])c1ccccn1 259141125 573606290 /nfs/dbraw/zinc/60/62/90/573606290.db2.gz BDNXCYUOQSAMBK-WPRPVWTQSA-N 2 1 179.267 1.079 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CC[C@@H]([NH3+])C1 86753845 573606292 /nfs/dbraw/zinc/60/62/92/573606292.db2.gz UYJPHDHFOPWZTN-DTWKUNHWSA-N 2 1 179.267 1.090 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[C@@H]1Cc1[nH+]ccn1C 86754361 573605422 /nfs/dbraw/zinc/60/54/22/573605422.db2.gz HZOYKGGTAKCKRC-AEJSXWLSSA-N 2 1 193.294 1.336 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CC[C@@H]([NH3+])C1 86753854 573605440 /nfs/dbraw/zinc/60/54/40/573605440.db2.gz YZGPHZSHOBVUKV-VHSXEESVSA-N 2 1 193.294 1.573 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CC[C@H]([NH3+])C1 86753840 573605454 /nfs/dbraw/zinc/60/54/54/573605454.db2.gz UYJPHDHFOPWZTN-IUCAKERBSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[C@H]1[NH3+] 86753449 573605650 /nfs/dbraw/zinc/60/56/50/573605650.db2.gz OHHCEOQSBYWMAD-RKDXNWHRSA-N 2 1 179.267 1.090 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@H+]1CCCC[C@H]1C 147467834 573605728 /nfs/dbraw/zinc/60/57/28/573605728.db2.gz CYVZCUGERIATOS-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]([NH2+]CCC[NH+]1CC=CC1)C1CC1 392320733 573605929 /nfs/dbraw/zinc/60/59/29/573605929.db2.gz UATXHUQCDSNQQC-NSHDSACASA-N 2 1 194.322 1.636 10 0 ADAEMP Cn1cc[nH+]c1CCC[C@H]([NH3+])C1CC1 86753937 573605950 /nfs/dbraw/zinc/60/59/50/573605950.db2.gz ZIVDVYSBNFGMDS-JTQLQIEISA-N 2 1 193.294 1.480 10 0 ADAEMP C[N@H+]1CCC[C@H](CCC[NH3+])C1 75542969 573605965 /nfs/dbraw/zinc/60/59/65/573605965.db2.gz CGSCDMBESXOKPB-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CCc1[nH]c(CC(C)(C)C[NH3+])[nH+]c1C 258504601 573605974 /nfs/dbraw/zinc/60/59/74/573605974.db2.gz FGHWPCAGNGRJSQ-UHFFFAOYSA-N 2 1 195.310 1.808 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[C@H]([NH3+])C1 86753866 573606046 /nfs/dbraw/zinc/60/60/46/573606046.db2.gz UBSSQBVMDKSOFT-UWVGGRQHSA-N 2 1 193.294 1.480 10 0 ADAEMP C[NH2+]CC1([C@@H]([NH3+])c2cc[nH]c2)CC1 259527597 573606053 /nfs/dbraw/zinc/60/60/53/573606053.db2.gz SPUNPYMLXWJVOK-VIFPVBQESA-N 2 1 179.267 1.014 10 0 ADAEMP C[NH2+][C@H](C[C@H](C)[NH3+])c1ccccn1 259141120 573606093 /nfs/dbraw/zinc/60/60/93/573606093.db2.gz BDNXCYUOQSAMBK-WCBMZHEXSA-N 2 1 179.267 1.079 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CCC[C@H]1[NH3+] 86753458 573606134 /nfs/dbraw/zinc/60/61/34/573606134.db2.gz AKZQRFYTPUYOKJ-NXEZZACHSA-N 2 1 193.294 1.573 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CC[C@@H]([NH3+])C1 86753852 573606419 /nfs/dbraw/zinc/60/64/19/573606419.db2.gz YZGPHZSHOBVUKV-NXEZZACHSA-N 2 1 193.294 1.573 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[C@@H]([NH3+])c1ccccn1 259526104 573606493 /nfs/dbraw/zinc/60/64/93/573606493.db2.gz SNAXXSLKINNUKK-MWLCHTKSSA-N 2 1 193.294 1.312 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](Cc2[nH+]ccn2C)C1 86754030 573608639 /nfs/dbraw/zinc/60/86/39/573608639.db2.gz BKNUJJCUCSUCMX-VHSXEESVSA-N 2 1 193.294 1.351 10 0 ADAEMP C[NH2+]Cc1c[nH]c([C@H]2CCCOC2)n1 83722648 573607533 /nfs/dbraw/zinc/60/75/33/573607533.db2.gz CRWFEDDGQRARJT-QMMMGPOBSA-N 2 1 195.266 1.023 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1Cc1[nH+]ccn1C 86753511 573607573 /nfs/dbraw/zinc/60/75/73/573607573.db2.gz MHEXUKSQFPAJRP-VHSXEESVSA-N 2 1 193.294 1.351 10 0 ADAEMP Cc1c[nH]c(CC(C)(C)C[NH3+])[nH+]1 259127304 573607640 /nfs/dbraw/zinc/60/76/40/573607640.db2.gz QLQMERVAARTXJT-UHFFFAOYSA-N 2 1 167.256 1.246 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCCC[C@@H]1[NH3+] 86753425 573607980 /nfs/dbraw/zinc/60/79/80/573607980.db2.gz UEGGLYXCHJZKAT-ZJUUUORDSA-N 2 1 193.294 1.480 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[C@@H]([NH3+])C1 86753870 573607989 /nfs/dbraw/zinc/60/79/89/573607989.db2.gz UBSSQBVMDKSOFT-VHSXEESVSA-N 2 1 193.294 1.480 10 0 ADAEMP CC[C@@H]([NH3+])CCCCc1[nH+]ccn1C 126606844 573608028 /nfs/dbraw/zinc/60/80/28/573608028.db2.gz GLVGJZKQXMAIIX-SNVBAGLBSA-N 2 1 195.310 1.870 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](Cc2[nH+]ccn2C)C1 86754036 573608938 /nfs/dbraw/zinc/60/89/38/573608938.db2.gz BKNUJJCUCSUCMX-ZJUUUORDSA-N 2 1 193.294 1.351 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CC[C@H]([NH3+])C1 86753850 573608286 /nfs/dbraw/zinc/60/82/86/573608286.db2.gz YZGPHZSHOBVUKV-UWVGGRQHSA-N 2 1 193.294 1.573 10 0 ADAEMP C[NH2+]CC1([C@H]([NH3+])c2ccccc2)CC1 259529236 573608703 /nfs/dbraw/zinc/60/87/03/573608703.db2.gz SQZJRIDKBZSDNO-LLVKDONJSA-N 2 1 190.290 1.686 10 0 ADAEMP [NH3+][C@H](c1cccnc1)[C@@H]1CCC[NH2+]C1 259130247 573608867 /nfs/dbraw/zinc/60/88/67/573608867.db2.gz CKJSFCQOEQDZHC-GHMZBOCLSA-N 2 1 191.278 1.081 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCCC[C@H]1[NH3+] 86753428 573609615 /nfs/dbraw/zinc/60/96/15/573609615.db2.gz UEGGLYXCHJZKAT-NXEZZACHSA-N 2 1 193.294 1.480 10 0 ADAEMP C[NH2+]CC1([C@@H]([NH3+])c2ccccc2)CC1 259529238 573609072 /nfs/dbraw/zinc/60/90/72/573609072.db2.gz SQZJRIDKBZSDNO-NSHDSACASA-N 2 1 190.290 1.686 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1Cc1[nH+]ccn1C 86753509 573609087 /nfs/dbraw/zinc/60/90/87/573609087.db2.gz MHEXUKSQFPAJRP-ZJUUUORDSA-N 2 1 193.294 1.351 10 0 ADAEMP CCC[C@H]([NH3+])CCCc1[nH+]ccn1C 86753885 573609106 /nfs/dbraw/zinc/60/91/06/573609106.db2.gz GGYCNTLMUPUVSZ-JTQLQIEISA-N 2 1 195.310 1.870 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CC[C@H]([NH3+])C1 86753839 573609741 /nfs/dbraw/zinc/60/97/41/573609741.db2.gz UYJPHDHFOPWZTN-BDAKNGLRSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[C@@H]1[NH3+] 86753446 573609337 /nfs/dbraw/zinc/60/93/37/573609337.db2.gz OHHCEOQSBYWMAD-BDAKNGLRSA-N 2 1 179.267 1.090 10 0 ADAEMP C[NH2+]Cc1c[nH]c([C@@H]2CCCOC2)n1 83722646 573609347 /nfs/dbraw/zinc/60/93/47/573609347.db2.gz CRWFEDDGQRARJT-MRVPVSSYSA-N 2 1 195.266 1.023 10 0 ADAEMP [NH3+][C@@H](c1cccnc1)[C@H]1CCC[NH2+]C1 259130257 573609362 /nfs/dbraw/zinc/60/93/62/573609362.db2.gz CKJSFCQOEQDZHC-QWRGUYRKSA-N 2 1 191.278 1.081 10 0 ADAEMP CCn1cc[nH+]c1C[C@H]1CCC[C@@H]1[NH3+] 86753453 573609753 /nfs/dbraw/zinc/60/97/53/573609753.db2.gz AKZQRFYTPUYOKJ-ZJUUUORDSA-N 2 1 193.294 1.573 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CC[C@H]([NH3+])C1 86753847 573609654 /nfs/dbraw/zinc/60/96/54/573609654.db2.gz YZGPHZSHOBVUKV-ZJUUUORDSA-N 2 1 193.294 1.573 10 0 ADAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C 686247311 573610588 /nfs/dbraw/zinc/61/05/88/573610588.db2.gz WMZOMKMRGIUYET-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]([NH3+])CC[C@@H]1CCC[N@@H+](C)C1 75560562 573611036 /nfs/dbraw/zinc/61/10/36/573611036.db2.gz GGQDFGSLXYBPEY-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC2CC([NH3+])C2)C1 259130600 573610759 /nfs/dbraw/zinc/61/07/59/573610759.db2.gz MMLTTYPWZAAWEJ-WHXUTIOJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC(C)(C)[NH3+])C1 75560583 573610947 /nfs/dbraw/zinc/61/09/47/573610947.db2.gz FIMBYMOELZRBNS-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@@H+]1CC=C(C[NH2+]C2CCCC2)C1 258068434 573611893 /nfs/dbraw/zinc/61/18/93/573611893.db2.gz MCOGSWDVJOBCGJ-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP C[N@H+]1CC=C(C[NH2+]C2CCCC2)C1 258068434 573611897 /nfs/dbraw/zinc/61/18/97/573611897.db2.gz MCOGSWDVJOBCGJ-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259141205 573612164 /nfs/dbraw/zinc/61/21/64/573612164.db2.gz DQXWPNPNULVKJI-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CC[C@@H](F)C1 689908873 573612378 /nfs/dbraw/zinc/61/23/78/573612378.db2.gz YBPWOTBMQPARAP-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H]([NH3+])CC[C@H]1CCC[N@@H+](C)C1 75560573 573612397 /nfs/dbraw/zinc/61/23/97/573612397.db2.gz GGQDFGSLXYBPEY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CC[C@H](F)C1 689908871 573612588 /nfs/dbraw/zinc/61/25/88/573612588.db2.gz YBPWOTBMQPARAP-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[C@H]1C[N@H+]([C@@H]2CC23CC3)CCC[NH2+]1 715319043 573612675 /nfs/dbraw/zinc/61/26/75/573612675.db2.gz JDMHCBQGEJRELT-WDEREUQCSA-N 2 1 194.322 1.613 10 0 ADAEMP CCC[N@@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259125110 573612699 /nfs/dbraw/zinc/61/26/99/573612699.db2.gz CMUWZAIZPJIPDV-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@H]([NH2+]C)C1 259125110 573612703 /nfs/dbraw/zinc/61/27/03/573612703.db2.gz CMUWZAIZPJIPDV-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H](C23C[NH2+]C(C2)C3)C1 259528089 573612734 /nfs/dbraw/zinc/61/27/34/573612734.db2.gz AXNYWEAFAUMVAA-KPPDAEKUSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C(C)(C)C 686247314 573612788 /nfs/dbraw/zinc/61/27/88/573612788.db2.gz WMZOMKMRGIUYET-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C[NH3+])C[N@H+]1CC[C@H](F)C1 689908866 573613876 /nfs/dbraw/zinc/61/38/76/573613876.db2.gz YBPWOTBMQPARAP-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP CCCC[C@@H](C[NH3+])[NH+]1CC=CC1 130603624 573614717 /nfs/dbraw/zinc/61/47/17/573614717.db2.gz SNPGJYVFDSCFOJ-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@H+]1CC[C@@H](F)C1 689908869 573615002 /nfs/dbraw/zinc/61/50/02/573615002.db2.gz YBPWOTBMQPARAP-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP C/C=C\C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 308405996 573614950 /nfs/dbraw/zinc/61/49/50/573614950.db2.gz PFGIOQJZVQNMRM-DLGQBQFBSA-N 2 1 194.322 1.636 10 0 ADAEMP C/C=C\C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 308405996 573614953 /nfs/dbraw/zinc/61/49/53/573614953.db2.gz PFGIOQJZVQNMRM-DLGQBQFBSA-N 2 1 194.322 1.636 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1C[NH2+]CC12CC2 716003641 573614975 /nfs/dbraw/zinc/61/49/75/573614975.db2.gz ACLMRAURBIFSAH-UWVGGRQHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[N@H+]1C[C@H](CC[NH3+])[C@H]2CCC[C@@H]21 107457201 573615097 /nfs/dbraw/zinc/61/50/97/573615097.db2.gz JPGNPGGBHKIPGO-AEJSXWLSSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H]1CC[C@H](C[NH3+])C[N@H+]1C 107455752 573615192 /nfs/dbraw/zinc/61/51/92/573615192.db2.gz NZUAPTKBQIJERD-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C 107455753 573615318 /nfs/dbraw/zinc/61/53/18/573615318.db2.gz NZUAPTKBQIJERD-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1C[N@H+]([C@H]2CC23CC3)CCC[NH2+]1 715319030 573615499 /nfs/dbraw/zinc/61/54/99/573615499.db2.gz JDMHCBQGEJRELT-MNOVXSKESA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H](C)C[NH3+] 259529370 573615523 /nfs/dbraw/zinc/61/55/23/573615523.db2.gz UIPXTMCHZSCZKA-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccncc1 308642381 573615564 /nfs/dbraw/zinc/61/55/64/573615564.db2.gz DTXYYFNQZNSQMZ-GUBZILKMSA-N 2 1 193.294 1.468 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C[NH2+]CC12CC2 716004210 573616490 /nfs/dbraw/zinc/61/64/90/573616490.db2.gz XCICLTFLFHWRAS-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP C/C=C\C[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 308407832 573619395 /nfs/dbraw/zinc/61/93/95/573619395.db2.gz VBCWVLAUQPVWKF-QMAVJUDZSA-N 2 1 196.338 1.882 10 0 ADAEMP C[N@@H+]1CCC[C@@H](CC(F)(F)C[NH3+])C1 257838026 573617491 /nfs/dbraw/zinc/61/74/91/573617491.db2.gz LHKSTIWWWREEES-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]2CCC[C@@H]21 107457265 573617497 /nfs/dbraw/zinc/61/74/97/573617497.db2.gz REVOGRLFDXCORH-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H](CC(F)(F)C[NH3+])C1 257838026 573617499 /nfs/dbraw/zinc/61/74/99/573617499.db2.gz LHKSTIWWWREEES-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[C@H](C)C[NH3+] 259529369 573617647 /nfs/dbraw/zinc/61/76/47/573617647.db2.gz UIPXTMCHZSCZKA-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C 107455756 573617730 /nfs/dbraw/zinc/61/77/30/573617730.db2.gz NZUAPTKBQIJERD-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C/C=C\C[N@H+]1CCC[NH2+][C@H](C(C)C)C1 308407833 573617888 /nfs/dbraw/zinc/61/78/88/573617888.db2.gz VBCWVLAUQPVWKF-RXNFCKPNSA-N 2 1 196.338 1.882 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])C[C@@H]1C1CC1 107457263 573618045 /nfs/dbraw/zinc/61/80/45/573618045.db2.gz HDISMJIPRUZARX-PSASIEDQSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@H+]1CC[C@H](CCC[NH3+])C1 107455717 573618158 /nfs/dbraw/zinc/61/81/58/573618158.db2.gz DVUZOUWFZWVTDK-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)C(C)(C)C 394367661 573618567 /nfs/dbraw/zinc/61/85/67/573618567.db2.gz UJVLOBSVWXTCSR-ZJUUUORDSA-N 2 1 186.343 1.961 10 0 ADAEMP CC[N@H+]1CC[C@@H](CCC[NH3+])C1 107455719 573618878 /nfs/dbraw/zinc/61/88/78/573618878.db2.gz DVUZOUWFZWVTDK-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP C[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccncc1 308642382 573618897 /nfs/dbraw/zinc/61/88/97/573618897.db2.gz DTXYYFNQZNSQMZ-UTLUCORTSA-N 2 1 193.294 1.468 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@@H](C)C[NH3+] 259529367 573619034 /nfs/dbraw/zinc/61/90/34/573619034.db2.gz UIPXTMCHZSCZKA-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)CCC1CCC1 258823640 573619120 /nfs/dbraw/zinc/61/91/20/573619120.db2.gz UNTFHXXAKYMLQF-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C1CC1 107457282 573619289 /nfs/dbraw/zinc/61/92/89/573619289.db2.gz MFMBBBFRPNOKNK-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@H]2CCCC[C@@H]21 107457207 573619786 /nfs/dbraw/zinc/61/97/86/573619786.db2.gz VVOJICUEBYWOFT-AEJSXWLSSA-N 2 1 168.284 1.066 10 0 ADAEMP FC(F)C[NH2+]CCC[C@@H]1CCC[NH2+]1 308407805 573619960 /nfs/dbraw/zinc/61/99/60/573619960.db2.gz MWJGYHUDSLOEMV-MRVPVSSYSA-N 2 1 192.253 1.373 10 0 ADAEMP C[NH2+]CC[C@@H]([NH2+]C)c1ccccc1F 259530860 573620248 /nfs/dbraw/zinc/62/02/48/573620248.db2.gz SUGHTCFREWYYGJ-LLVKDONJSA-N 2 1 196.269 1.696 10 0 ADAEMP C[NH2+]CC[C@H]([NH2+]C)c1ccccc1F 259530864 573620325 /nfs/dbraw/zinc/62/03/25/573620325.db2.gz SUGHTCFREWYYGJ-NSHDSACASA-N 2 1 196.269 1.696 10 0 ADAEMP CCCc1[nH+]c(CCC[NH2+]C)[nH]c1C 258823656 573620327 /nfs/dbraw/zinc/62/03/27/573620327.db2.gz YXAADWLRVQBIKR-UHFFFAOYSA-N 2 1 195.310 1.823 10 0 ADAEMP CCCc1[nH]c(CCC[NH2+]C)[nH+]c1C 258823656 573620331 /nfs/dbraw/zinc/62/03/31/573620331.db2.gz YXAADWLRVQBIKR-UHFFFAOYSA-N 2 1 195.310 1.823 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@H](C)[N@@H+](C)CCC1CC1 308643783 573621232 /nfs/dbraw/zinc/62/12/32/573621232.db2.gz GIIQDTIYFCDYRH-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP Cc1ccsc1CC[NH2+]CC[NH3+] 258823524 573621359 /nfs/dbraw/zinc/62/13/59/573621359.db2.gz UMBKJAHGHDMCRT-UHFFFAOYSA-N 2 1 184.308 1.147 10 0 ADAEMP [NH3+][C@@H]1CCC[N@H+](C2CCCC2)CC1 107460087 573621444 /nfs/dbraw/zinc/62/14/44/573621444.db2.gz CLRALDXZFPOPON-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]([NH2+]Cc1ccc(O)cc1)[C@@H](C)[NH3+] 308658346 573624126 /nfs/dbraw/zinc/62/41/26/573624126.db2.gz OOPSWVKEKKOXBU-BDAKNGLRSA-N 2 1 194.278 1.218 10 0 ADAEMP [NH3+]C[C@]1([NH2+]C2CCCCC2)CCOC1 83760103 573624151 /nfs/dbraw/zinc/62/41/51/573624151.db2.gz YRIZMGSTLMZHEA-LLVKDONJSA-N 2 1 198.310 1.027 10 0 ADAEMP Cc1[nH]c(C[C@@H]2CC[NH2+]C2)[nH+]c1C 257834186 573623320 /nfs/dbraw/zinc/62/33/20/573623320.db2.gz KPVDYRLIZIGNPB-VIFPVBQESA-N 2 1 179.267 1.179 10 0 ADAEMP CC[C@@H](C)[NH2+]C(C)(C)C[NH3+] 83761343 573623627 /nfs/dbraw/zinc/62/36/27/573623627.db2.gz RFSFCDLSJNEYGP-SSDOTTSWSA-N 2 1 144.262 1.112 10 0 ADAEMP [NH3+][C@H]1CCC[N@H+](C2CCCC2)CC1 107460083 573623671 /nfs/dbraw/zinc/62/36/71/573623671.db2.gz CLRALDXZFPOPON-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@]1(F)CC[N@H+](C[C@H]2CC[NH2+]C2)C1 259530990 573623754 /nfs/dbraw/zinc/62/37/54/573623754.db2.gz BDLVQRDFLACEEA-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@]1(F)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 259530990 573623761 /nfs/dbraw/zinc/62/37/61/573623761.db2.gz BDLVQRDFLACEEA-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]C1CCCC1 83762467 573623794 /nfs/dbraw/zinc/62/37/94/573623794.db2.gz PLMBCWNDCOOWJR-QMMMGPOBSA-N 2 1 156.273 1.256 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+]CC(C)C 83761626 573623819 /nfs/dbraw/zinc/62/38/19/573623819.db2.gz NEFQGXIJAKGOEO-JTQLQIEISA-N 2 1 172.316 1.750 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCC2)CCOCC1 83762803 573623878 /nfs/dbraw/zinc/62/38/78/573623878.db2.gz FVKHMGYOJUGUHY-UHFFFAOYSA-N 2 1 198.310 1.027 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]2CCCC[C@@H]21 107460160 573623881 /nfs/dbraw/zinc/62/38/81/573623881.db2.gz CXHBOBYVQCDDHI-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+][C@H](C)CC 83760807 573623916 /nfs/dbraw/zinc/62/39/16/573623916.db2.gz KLCYUDRKCFZHTN-SFYZADRCSA-N 2 1 144.262 1.112 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(O)cc1 308658348 573623955 /nfs/dbraw/zinc/62/39/55/573623955.db2.gz OOPSWVKEKKOXBU-DTWKUNHWSA-N 2 1 194.278 1.218 10 0 ADAEMP Cc1[nH+]cn2c1CCC[C@@H]2C[NH3+] 82403294 573624086 /nfs/dbraw/zinc/62/40/86/573624086.db2.gz WTZJRYUAGMMMQS-MRVPVSSYSA-N 2 1 165.240 1.028 10 0 ADAEMP CC[C@H](C)[NH2+]C(C)(C)C[NH3+] 83761344 573624258 /nfs/dbraw/zinc/62/42/58/573624258.db2.gz RFSFCDLSJNEYGP-ZETCQYMHSA-N 2 1 144.262 1.112 10 0 ADAEMP Cc1[nH]c(C[C@H]2CC[NH2+]C2)[nH+]c1C 257834185 573624328 /nfs/dbraw/zinc/62/43/28/573624328.db2.gz KPVDYRLIZIGNPB-SECBINFHSA-N 2 1 179.267 1.179 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CCC1CCC1 258823638 573624330 /nfs/dbraw/zinc/62/43/30/573624330.db2.gz UNTFHXXAKYMLQF-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+]C[C@@]1([NH2+]C2CCCCC2)CCOC1 83760101 573624538 /nfs/dbraw/zinc/62/45/38/573624538.db2.gz YRIZMGSTLMZHEA-NSHDSACASA-N 2 1 198.310 1.027 10 0 ADAEMP C[NH2+]C[C@@H](C)[C@@H](C)[N@@H+](C)CCC1CC1 308643782 573624575 /nfs/dbraw/zinc/62/45/75/573624575.db2.gz GIIQDTIYFCDYRH-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@]1(F)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 259530978 573625173 /nfs/dbraw/zinc/62/51/73/573625173.db2.gz BDLVQRDFLACEEA-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP CC(C)(C[NH3+])[NH2+]C1CCCCC1 83760258 573624651 /nfs/dbraw/zinc/62/46/51/573624651.db2.gz IVHXDUFRTMAIHH-UHFFFAOYSA-N 2 1 170.300 1.646 10 0 ADAEMP C[NH2+]C[C@H](C)[C@@H](C)[N@@H+](C)CCC1CC1 308643785 573624691 /nfs/dbraw/zinc/62/46/91/573624691.db2.gz GIIQDTIYFCDYRH-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@]1(F)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 259530978 573625176 /nfs/dbraw/zinc/62/51/76/573625176.db2.gz BDLVQRDFLACEEA-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@H]1CC[N@H+](C)C1 257834143 573624923 /nfs/dbraw/zinc/62/49/23/573624923.db2.gz KHPJRQLHHRCDIJ-MRVPVSSYSA-N 2 1 192.253 1.183 10 0 ADAEMP C[NH2+]CC(F)(F)C[C@H]1CC[N@@H+](C)C1 257834143 573624933 /nfs/dbraw/zinc/62/49/33/573624933.db2.gz KHPJRQLHHRCDIJ-MRVPVSSYSA-N 2 1 192.253 1.183 10 0 ADAEMP C[C@]1(F)CC[N@H+](C[C@@H]2CC[NH2+]C2)C1 259531015 573625018 /nfs/dbraw/zinc/62/50/18/573625018.db2.gz BDLVQRDFLACEEA-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@]1(F)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 259531015 573625023 /nfs/dbraw/zinc/62/50/23/573625023.db2.gz BDLVQRDFLACEEA-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H](CC)C[NH3+] 83760810 573625085 /nfs/dbraw/zinc/62/50/85/573625085.db2.gz KLCYUDRKCFZHTN-HTQZYQBOSA-N 2 1 144.262 1.112 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@@H]([NH3+])c1cccs1 259132065 573626092 /nfs/dbraw/zinc/62/60/92/573626092.db2.gz AWVXRQMVDHGRRR-WCBMZHEXSA-N 2 1 198.335 1.994 10 0 ADAEMP CCC[N@H+]1C[C@H](C[NH2+]C)CC1(C)C 259534890 573626173 /nfs/dbraw/zinc/62/61/73/573626173.db2.gz WHFJNKZZRYIJPI-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C1CCCC1 83762469 573626293 /nfs/dbraw/zinc/62/62/93/573626293.db2.gz PLMBCWNDCOOWJR-MRVPVSSYSA-N 2 1 156.273 1.256 10 0 ADAEMP CC[C@@H](C[NH2+]C)[C@H]([NH3+])c1cccs1 259132067 573626616 /nfs/dbraw/zinc/62/66/16/573626616.db2.gz AWVXRQMVDHGRRR-WPRPVWTQSA-N 2 1 198.335 1.994 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@H]([NH3+])c1cccs1 259132063 573626803 /nfs/dbraw/zinc/62/68/03/573626803.db2.gz AWVXRQMVDHGRRR-SCZZXKLOSA-N 2 1 198.335 1.994 10 0 ADAEMP CC1(C)CC[C@@H]([NH3+])C[N@H+]1C1CC1 259532670 573627800 /nfs/dbraw/zinc/62/78/00/573627800.db2.gz WAOGUEYDEDNADE-MRVPVSSYSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+]1CCC[C@@H]1C 86809240 573630640 /nfs/dbraw/zinc/63/06/40/573630640.db2.gz LEOKGZCAADFHFP-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1CCC1 308659479 573630671 /nfs/dbraw/zinc/63/06/71/573630671.db2.gz PLQVOCQGWWLHFR-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+](C)C1CC1 86808988 573631014 /nfs/dbraw/zinc/63/10/14/573631014.db2.gz OCXDBQXLFJHFFQ-SECBINFHSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)C1CC1 86808988 573631020 /nfs/dbraw/zinc/63/10/20/573631020.db2.gz OCXDBQXLFJHFFQ-SECBINFHSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1(C)CC[C@H]([NH3+])C[N@H+]1C1CC1 259532672 573631149 /nfs/dbraw/zinc/63/11/49/573631149.db2.gz WAOGUEYDEDNADE-QMMMGPOBSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@@H]1C=C[C@@H]([NH3+])C1 308650644 573632982 /nfs/dbraw/zinc/63/29/82/573632982.db2.gz KFRNDLSYTJRXEK-VXGBXAGGSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+]1CC[C@H](C)C1 86809388 573634190 /nfs/dbraw/zinc/63/41/90/573634190.db2.gz SHRBYKFFMHEAIL-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)C(C)C 86808843 573633288 /nfs/dbraw/zinc/63/32/88/573633288.db2.gz UFFQOPJZCAXJNU-SECBINFHSA-N 2 1 158.289 1.454 10 0 ADAEMP CC(C)[N@H+]1CCC=C(C[NH2+]C2CC2)C1 258073000 573633289 /nfs/dbraw/zinc/63/32/89/573633289.db2.gz MKFBJRRXWRZIDU-UHFFFAOYSA-N 2 1 194.322 1.779 10 0 ADAEMP CC[C@](C)([NH3+])C[N@H+](C)C1CC1 86808987 573633417 /nfs/dbraw/zinc/63/34/17/573633417.db2.gz OCXDBQXLFJHFFQ-VIFPVBQESA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)C1CC1 86808987 573633419 /nfs/dbraw/zinc/63/34/19/573633419.db2.gz OCXDBQXLFJHFFQ-VIFPVBQESA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+]C(C)(C)[C@@H](CC(C)C)[NH+](C)C 259538257 573633600 /nfs/dbraw/zinc/63/36/00/573633600.db2.gz NQEVTZXBQHVGNX-SNVBAGLBSA-N 2 1 186.343 1.961 10 0 ADAEMP CCCC[N@@H+](C)C[C@](C)([NH3+])CC 86808806 573633701 /nfs/dbraw/zinc/63/37/01/573633701.db2.gz JEDRKOGNIDEINJ-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@](C)([NH3+])C[N@H+]1CCC[C@@H]1C 86809237 573633863 /nfs/dbraw/zinc/63/38/63/573633863.db2.gz LEOKGZCAADFHFP-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1C[C@H]1C[NH3+] 715165422 573634152 /nfs/dbraw/zinc/63/41/52/573634152.db2.gz IVIVQPRVDSBTTG-RHYQMDGZSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@@H+](C)C[C@H]1C[C@@H]1C[NH3+] 715165420 573634264 /nfs/dbraw/zinc/63/42/64/573634264.db2.gz IVIVQPRVDSBTTG-KKOKHZNYSA-N 2 1 196.338 1.702 10 0 ADAEMP CCC(CC)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126699415 573634292 /nfs/dbraw/zinc/63/42/92/573634292.db2.gz QQJUMBJVQFCQPH-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC(CC)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 126699152 573635727 /nfs/dbraw/zinc/63/57/27/573635727.db2.gz QQJUMBJVQFCQPH-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP Cc1ccc(C)n2c(CC[NH3+])c[nH+]c12 238461264 573635442 /nfs/dbraw/zinc/63/54/42/573635442.db2.gz PSLMSWBVXCEVCL-UHFFFAOYSA-N 2 1 189.262 1.452 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@@H]1C=C[C@H]([NH3+])C1 308650641 573635609 /nfs/dbraw/zinc/63/56/09/573635609.db2.gz KFRNDLSYTJRXEK-NEPJUHHUSA-N 2 1 194.322 1.622 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C)C1(C)C 259536423 573639715 /nfs/dbraw/zinc/63/97/15/573639715.db2.gz WHNMCRNBVUPWQW-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H]1[C@H](C[NH3+])CCCC[N@H+]1C 238461854 573639413 /nfs/dbraw/zinc/63/94/13/573639413.db2.gz HYZBTNRCKIVEOS-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCCCC2)[C@H]1CN 257845730 573639738 /nfs/dbraw/zinc/63/97/38/573639738.db2.gz NMOOOQPGUKECRZ-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCCCC2)[C@H]1C[NH3+] 257845730 573639749 /nfs/dbraw/zinc/63/97/49/573639749.db2.gz NMOOOQPGUKECRZ-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCc1c[nH]c(C2CC([NH3+])C2)[nH+]1 259147319 573639856 /nfs/dbraw/zinc/63/98/56/573639856.db2.gz SGVPCDPSRDSACA-UHFFFAOYSA-N 2 1 179.267 1.567 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCCCC2)[C@@H]1CN 257845725 573641390 /nfs/dbraw/zinc/64/13/90/573641390.db2.gz NMOOOQPGUKECRZ-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H](C2CCCCC2)[C@@H]1C[NH3+] 257845725 573641401 /nfs/dbraw/zinc/64/14/01/573641401.db2.gz NMOOOQPGUKECRZ-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)Cc1c[nH]c(CC2C[NH2+]C2)[nH+]1 257844922 573641426 /nfs/dbraw/zinc/64/14/26/573641426.db2.gz NIDPHQYFZHEUNI-UHFFFAOYSA-N 2 1 193.294 1.370 10 0 ADAEMP CC1(C)[C@@H](CC[NH3+])CC[N@H+]1C1CC1 259536788 573641529 /nfs/dbraw/zinc/64/15/29/573641529.db2.gz WJEUUIWDGKLGST-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H]1C[N@H+](C2CC2)C(C)(C)C1 259537847 573641709 /nfs/dbraw/zinc/64/17/09/573641709.db2.gz WKTFRZVLIWVOCO-QMMMGPOBSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1C[N@@H+](C2CC2)C(C)(C)C1 259537847 573641714 /nfs/dbraw/zinc/64/17/14/573641714.db2.gz WKTFRZVLIWVOCO-QMMMGPOBSA-N 2 1 168.284 1.221 10 0 ADAEMP CC1([NH3+])CN(c2cc[nH+]cc2Cl)C1 86841401 573641856 /nfs/dbraw/zinc/64/18/56/573641856.db2.gz RUJGLONMHSRMEB-UHFFFAOYSA-N 2 1 197.669 1.272 10 0 ADAEMP C[C@@H]1CC[C@H]2[C@H](C1)C[N@H+](C)C[C@H]2C[NH3+] 251773433 573642123 /nfs/dbraw/zinc/64/21/23/573642123.db2.gz KURHONZEZBDUDP-KKOKHZNYSA-N 2 1 196.338 1.559 10 0 ADAEMP CC(C)(C[NH3+])Nc1cc[nH+]cc1Cl 86839833 573642141 /nfs/dbraw/zinc/64/21/41/573642141.db2.gz ISMUVPBNJBHHNV-UHFFFAOYSA-N 2 1 199.685 1.884 10 0 ADAEMP [NH3+][C@@H]1C[C@@H]1Nc1cc[nH+]cc1Cl 86839684 573642226 /nfs/dbraw/zinc/64/22/26/573642226.db2.gz XHFCHYUTWVMKGM-SVRRBLITSA-N 2 1 183.642 1.247 10 0 ADAEMP C[NH2+][C@H]1[C@H]([NH+](C)C)CCCC1(C)C 86841969 573642323 /nfs/dbraw/zinc/64/23/23/573642323.db2.gz RJTXQZVDSVROQQ-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCCC1(C)C 86846857 573642491 /nfs/dbraw/zinc/64/24/91/573642491.db2.gz FNPOEZCEAUMQII-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP [NH3+][C@@H]1C[C@H]1Nc1cc[nH+]cc1Cl 86839682 573642529 /nfs/dbraw/zinc/64/25/29/573642529.db2.gz XHFCHYUTWVMKGM-HTRCEHHLSA-N 2 1 183.642 1.247 10 0 ADAEMP C[NH2+][C@H]1[C@@H]([NH+](C)C)CCCC1(C)C 86841967 573642749 /nfs/dbraw/zinc/64/27/49/573642749.db2.gz RJTXQZVDSVROQQ-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C)CCc1c[nH+]ccc1OC 308654541 573643676 /nfs/dbraw/zinc/64/36/76/573643676.db2.gz MPMDJLWSCUSKLL-SECBINFHSA-N 2 1 194.278 1.631 10 0 ADAEMP C[C@H]1C[N@@H+](C)CCC12CC[NH2+]CC2 107782454 573643941 /nfs/dbraw/zinc/64/39/41/573643941.db2.gz WPSQOHAGSUVINX-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP CC(C)c1c[nH]c(C2CC([NH3+])C2)[nH+]1 259149944 573644098 /nfs/dbraw/zinc/64/40/98/573644098.db2.gz SOISQRPIBOSQCO-UHFFFAOYSA-N 2 1 179.267 1.738 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CCC12CC[NH2+]CC2 107782451 573644235 /nfs/dbraw/zinc/64/42/35/573644235.db2.gz WPSQOHAGSUVINX-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CCC12CC[NH2+]CC2 107782461 573644274 /nfs/dbraw/zinc/64/42/74/573644274.db2.gz DEMNSOVXVRGSFU-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP [NH3+]CCC[NH2+]Cc1cccc(Cl)n1 308655278 573644534 /nfs/dbraw/zinc/64/45/34/573644534.db2.gz NSPFEKIHPHCWLP-UHFFFAOYSA-N 2 1 199.685 1.173 10 0 ADAEMP C[NH2+]CC[NH2+]CC(C)(C)c1cc[nH]c1 258835406 573644327 /nfs/dbraw/zinc/64/43/27/573644327.db2.gz VQZAXVBQPFNEKZ-UHFFFAOYSA-N 2 1 195.310 1.101 10 0 ADAEMP C[C@@H](CN)[NH+]1CCC2(CCC2)CC1 107780415 573644636 /nfs/dbraw/zinc/64/46/36/573644636.db2.gz FDLOBXVFTCRUFF-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](C[NH3+])[NH+]1CCC2(CCC2)CC1 107780415 573644642 /nfs/dbraw/zinc/64/46/42/573644642.db2.gz FDLOBXVFTCRUFF-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC1CN(c2cc[nH+]cc2Cl)C1 86841423 573644663 /nfs/dbraw/zinc/64/46/63/573644663.db2.gz DPBUHFUHNWEHFA-UHFFFAOYSA-N 2 1 197.669 1.130 10 0 ADAEMP C[C@H]([NH3+])CN(C)c1cc[nH+]cc1Cl 86841323 573646166 /nfs/dbraw/zinc/64/61/66/573646166.db2.gz WXIPQMRMPQJGJX-ZETCQYMHSA-N 2 1 199.685 1.518 10 0 ADAEMP CC[C@@H](C[NH3+])Nc1cc[nH+]cc1Cl 86840083 573645302 /nfs/dbraw/zinc/64/53/02/573645302.db2.gz YRUBTJSLJRGEAA-ZETCQYMHSA-N 2 1 199.685 1.884 10 0 ADAEMP CC(C)CC[NH2+][C@H]1CCC[NH2+]C1 43324055 573645435 /nfs/dbraw/zinc/64/54/35/573645435.db2.gz ANUKKBCHWWQJNZ-JTQLQIEISA-N 2 1 170.300 1.374 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCCC1(C)C 86846859 573645489 /nfs/dbraw/zinc/64/54/89/573645489.db2.gz FNPOEZCEAUMQII-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H](C)C12CC[N@@H+](C)C2 107781646 573645556 /nfs/dbraw/zinc/64/55/56/573645556.db2.gz QEZRLIBGZGUZKZ-UWVGGRQHSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[N@H+]1CCC2(CC[NH2+]CC2)[C@@H](C)C1 107782508 573645569 /nfs/dbraw/zinc/64/55/69/573645569.db2.gz ALKRRZYBWJMDDQ-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@H+]1CCC[C@H](C(F)(F)CN)C1 257839120 573645615 /nfs/dbraw/zinc/64/56/15/573645615.db2.gz LNDYGJQNVUPSRN-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP CC[N@@H+]1CCC[C@H](C(F)(F)C[NH3+])C1 257839120 573645622 /nfs/dbraw/zinc/64/56/22/573645622.db2.gz LNDYGJQNVUPSRN-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP CCC(CC)[NH2+][C@@H]1CCC[NH2+]C1 43323717 573645628 /nfs/dbraw/zinc/64/56/28/573645628.db2.gz LIBASHMSOWMTKW-SNVBAGLBSA-N 2 1 170.300 1.517 10 0 ADAEMP CC[N@H+]1CCC[C@H](C(F)(F)C[NH3+])C1 257839120 573645629 /nfs/dbraw/zinc/64/56/29/573645629.db2.gz LNDYGJQNVUPSRN-QMMMGPOBSA-N 2 1 192.253 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](C)C2)[NH2+]1 259149900 573646025 /nfs/dbraw/zinc/64/60/25/573646025.db2.gz KHDMGYNTDLNCEL-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CC[C@@H](CC2(C[NH3+])CCC2)C1 259150913 573646222 /nfs/dbraw/zinc/64/62/22/573646222.db2.gz OBAVNWBDGLOOGD-JTQLQIEISA-N 2 1 182.311 1.457 10 0 ADAEMP CCC(CC)[NH2+][C@H]1CCC[NH2+]C1 43323719 573646235 /nfs/dbraw/zinc/64/62/35/573646235.db2.gz LIBASHMSOWMTKW-JTQLQIEISA-N 2 1 170.300 1.517 10 0 ADAEMP C[C@]([NH3+])(CN)c1coc2ccccc12 259152619 573646286 /nfs/dbraw/zinc/64/62/86/573646286.db2.gz UVJOOQKHQHJGTF-NSHDSACASA-N 2 1 190.246 1.565 10 0 ADAEMP C[NH+](C)[C@H](C[NH2+]C1CC1)C1CCC1 259540005 573646371 /nfs/dbraw/zinc/64/63/71/573646371.db2.gz NUBHSLZPFSOUIU-LLVKDONJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H](C[NH3+])Nc1cc[nH+]cc1Cl 86839956 573646520 /nfs/dbraw/zinc/64/65/20/573646520.db2.gz ZJYHPXURPNTPOJ-LURJTMIESA-N 2 1 185.658 1.494 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CCC12CC[NH2+]CC2 107782464 573646630 /nfs/dbraw/zinc/64/66/30/573646630.db2.gz DEMNSOVXVRGSFU-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP [NH3+]CCCCNc1cc[nH+]cc1Cl 86832975 573646638 /nfs/dbraw/zinc/64/66/38/573646638.db2.gz BRUGGSXRJCFMOF-UHFFFAOYSA-N 2 1 199.685 1.886 10 0 ADAEMP CC[N@H+]1CCC2(CC[NH2+]CC2)[C@H](C)C1 107782505 573646784 /nfs/dbraw/zinc/64/67/84/573646784.db2.gz ALKRRZYBWJMDDQ-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@]([NH3+])(CN)c1coc2ccccc12 259152616 573646810 /nfs/dbraw/zinc/64/68/10/573646810.db2.gz UVJOOQKHQHJGTF-LLVKDONJSA-N 2 1 190.246 1.565 10 0 ADAEMP CC(C)CC[NH2+][C@@H]1CCC[NH2+]C1 43324053 573646830 /nfs/dbraw/zinc/64/68/30/573646830.db2.gz ANUKKBCHWWQJNZ-SNVBAGLBSA-N 2 1 170.300 1.374 10 0 ADAEMP CC[C@H](C[NH3+])Nc1cc[nH+]cc1Cl 86840084 573646842 /nfs/dbraw/zinc/64/68/42/573646842.db2.gz YRUBTJSLJRGEAA-SSDOTTSWSA-N 2 1 199.685 1.884 10 0 ADAEMP C[NH2+][C@@H]1[C@H]([NH+](C)C)CCCC1(C)C 86841974 573646958 /nfs/dbraw/zinc/64/69/58/573646958.db2.gz RJTXQZVDSVROQQ-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1[C@@H]([NH+](C)C)CCCC1(C)C 86841972 573647004 /nfs/dbraw/zinc/64/70/04/573647004.db2.gz RJTXQZVDSVROQQ-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP CCCCC[NH2+][C@H]1CCC[NH2+]C1 43323801 573647056 /nfs/dbraw/zinc/64/70/56/573647056.db2.gz WBHRQLJZHXJVBH-JTQLQIEISA-N 2 1 170.300 1.518 10 0 ADAEMP CCCCC[NH2+][C@@H]1CCC[NH2+]C1 43323800 573648553 /nfs/dbraw/zinc/64/85/53/573648553.db2.gz WBHRQLJZHXJVBH-SNVBAGLBSA-N 2 1 170.300 1.518 10 0 ADAEMP C[N@@H+]1C[C@@H](CC(C)(F)F)[C@H](C[NH3+])C1 259541096 573647994 /nfs/dbraw/zinc/64/79/94/573647994.db2.gz BTUDHQGRHWHNTC-HTQZYQBOSA-N 2 1 192.253 1.168 10 0 ADAEMP [NH3+]C1(CCc2[nH+]ccn2CCF)CC1 257839838 573648036 /nfs/dbraw/zinc/64/80/36/573648036.db2.gz LTYIPKBEZYOSCU-UHFFFAOYSA-N 2 1 197.257 1.277 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C[C@@H]2C 107782370 573648085 /nfs/dbraw/zinc/64/80/85/573648085.db2.gz XMPIFRMRQWXKSZ-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[N@@H+](Cc1cc[nH]c1)CC(C)(C)C[NH3+] 258835400 573648089 /nfs/dbraw/zinc/64/80/89/573648089.db2.gz VQYPLYMFMRBZIT-UHFFFAOYSA-N 2 1 195.310 1.431 10 0 ADAEMP CC(C)c1[nH]cc(C[C@H]2CC[NH2+]C2)[nH+]1 257840305 573648197 /nfs/dbraw/zinc/64/81/97/573648197.db2.gz LWTIQXFYACQHJQ-SECBINFHSA-N 2 1 193.294 1.685 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])[C@@H](CC(C)(F)F)C1 259541110 573648339 /nfs/dbraw/zinc/64/83/39/573648339.db2.gz BTUDHQGRHWHNTC-JGVFFNPUSA-N 2 1 192.253 1.168 10 0 ADAEMP C[NH+](C)[C@@H](C[NH2+]C1CC1)C1CCC1 259540008 573648517 /nfs/dbraw/zinc/64/85/17/573648517.db2.gz NUBHSLZPFSOUIU-NSHDSACASA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])[C@@H](CC(C)(F)F)C1 259541123 573648419 /nfs/dbraw/zinc/64/84/19/573648419.db2.gz BTUDHQGRHWHNTC-YUMQZZPRSA-N 2 1 192.253 1.168 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H](C)C12CC[N@@H+](C)C2 107781650 573649484 /nfs/dbraw/zinc/64/94/84/573649484.db2.gz QEZRLIBGZGUZKZ-NXEZZACHSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C[C@@H]2C 107782375 573649578 /nfs/dbraw/zinc/64/95/78/573649578.db2.gz XMPIFRMRQWXKSZ-WOPDTQHZSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@H](CN)[NH+]1CCC2(CCC2)CC1 107780418 573649618 /nfs/dbraw/zinc/64/96/18/573649618.db2.gz FDLOBXVFTCRUFF-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])[NH+]1CCC2(CCC2)CC1 107780418 573649626 /nfs/dbraw/zinc/64/96/26/573649626.db2.gz FDLOBXVFTCRUFF-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@H]([NH3+])c1c[nH+]ccc1N 83808422 573649769 /nfs/dbraw/zinc/64/97/69/573649769.db2.gz PBCMXJXOJZVROS-FWWHASMVSA-N 2 1 177.251 1.320 10 0 ADAEMP C[C@@H]1C[C@H]1[C@H]([NH3+])c1c[nH+]ccc1N 83808424 573649988 /nfs/dbraw/zinc/64/99/88/573649988.db2.gz PBCMXJXOJZVROS-XSSZXYGBSA-N 2 1 177.251 1.320 10 0 ADAEMP C[C@@H]1C[C@H]1[C@H]([NH3+])Cc1cc[nH+]c(N)c1 83808237 573650186 /nfs/dbraw/zinc/65/01/86/573650186.db2.gz HHWQFHHWCLESTO-SZEHBUNVSA-N 2 1 191.278 1.190 10 0 ADAEMP C[C@H](C[NH3+])[C@H](C)CCc1[nH+]ccn1C 126724950 573650323 /nfs/dbraw/zinc/65/03/23/573650323.db2.gz QJWJFBWVJWXQEQ-NXEZZACHSA-N 2 1 195.310 1.584 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)[C@H]1C[C@H]1C 83808913 573651392 /nfs/dbraw/zinc/65/13/92/573651392.db2.gz BMHGTPWTBWFXSN-FYBVGQRMSA-N 2 1 191.278 1.580 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)[C@@H]1C[C@@H]1C 83808916 573650598 /nfs/dbraw/zinc/65/05/98/573650598.db2.gz BMHGTPWTBWFXSN-RNSXUZJQSA-N 2 1 191.278 1.580 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)[C@@H]1C[C@H]1C 83808915 573650618 /nfs/dbraw/zinc/65/06/18/573650618.db2.gz BMHGTPWTBWFXSN-XLDPMVHQSA-N 2 1 191.278 1.580 10 0 ADAEMP CC(C)[N@H+](C)C[C@H](C)NC(=[NH2+])C1CC1 308658218 573650809 /nfs/dbraw/zinc/65/08/09/573650809.db2.gz OLHVBQVBSPYOHS-VIFPVBQESA-N 2 1 197.326 1.692 10 0 ADAEMP C[N@H+]1C[C@H]2CC(C)(C)C[C@@H](C1)C2C[NH3+] 257840221 573651120 /nfs/dbraw/zinc/65/11/20/573651120.db2.gz BLKRZDXWYLPICB-ZACCUICWSA-N 2 1 196.338 1.559 10 0 ADAEMP C[NH2+][C@@H]1[C@H]([N@H+](C)C2CC2)CCC1(C)C 86856130 573652360 /nfs/dbraw/zinc/65/23/60/573652360.db2.gz MGVLUDMBMLKEFT-GHMZBOCLSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@@H]1[C@H]([N@@H+](C)C2CC2)CCC1(C)C 86856130 573652364 /nfs/dbraw/zinc/65/23/64/573652364.db2.gz MGVLUDMBMLKEFT-GHMZBOCLSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@]([NH3+])(CF)CC1 259543285 573652386 /nfs/dbraw/zinc/65/23/86/573652386.db2.gz BZDQRJYVDBAXCP-JTQLQIEISA-N 2 1 188.290 1.548 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@]([NH3+])(CF)CC1 259543285 573652389 /nfs/dbraw/zinc/65/23/89/573652389.db2.gz BZDQRJYVDBAXCP-JTQLQIEISA-N 2 1 188.290 1.548 10 0 ADAEMP C[NH+](C)[C@@H]1CCC(C)(C)[C@H]1[NH3+] 86855996 573652677 /nfs/dbraw/zinc/65/26/77/573652677.db2.gz DCDXGDIUSGOYKK-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+][C@H]1[C@@H]([NH+](C)C)CCC1(C)C 86856011 573652750 /nfs/dbraw/zinc/65/27/50/573652750.db2.gz QALXDQDCERXRIU-IUCAKERBSA-N 2 1 170.300 1.325 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H](CC[NH3+])C(F)F)C1 259543309 573652762 /nfs/dbraw/zinc/65/27/62/573652762.db2.gz BZLUCDUDHLARNS-HTQZYQBOSA-N 2 1 192.253 1.168 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H](C)NC(=[NH2+])C1CC1 308658216 573652776 /nfs/dbraw/zinc/65/27/76/573652776.db2.gz OLHVBQVBSPYOHS-SECBINFHSA-N 2 1 197.326 1.692 10 0 ADAEMP C[NH2+][C@H]1[C@H]([N@H+](C)C2CC2)CCC1(C)C 86856128 573653873 /nfs/dbraw/zinc/65/38/73/573653873.db2.gz MGVLUDMBMLKEFT-MNOVXSKESA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@@H]1C[NH2+]Cc2c(C)cccc21 257842146 573653982 /nfs/dbraw/zinc/65/39/82/573653982.db2.gz MNMQSKSAVLZIDY-SNVBAGLBSA-N 2 1 190.290 1.401 10 0 ADAEMP CC[NH2+][C@H]1[C@H]([NH+](C)C)CCC1(C)C 86856008 573653639 /nfs/dbraw/zinc/65/36/39/573653639.db2.gz BTZNLWMGBXLOJZ-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1[C@H]([N@@H+](C)C2CC2)CCC1(C)C 86856128 573653879 /nfs/dbraw/zinc/65/38/79/573653879.db2.gz MGVLUDMBMLKEFT-MNOVXSKESA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+]C[C@@]1(C2CCCC2)CCC[N@H+]1C 258505400 573654006 /nfs/dbraw/zinc/65/40/06/573654006.db2.gz BERWHJCDDUMZML-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@H]1[C@H]([NH+](C)C)CCC1(C)C 86856007 573654121 /nfs/dbraw/zinc/65/41/21/573654121.db2.gz BTZNLWMGBXLOJZ-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[N@H+](CCC2([NH3+])CCC2)C[C@@H]1C 86854143 573654148 /nfs/dbraw/zinc/65/41/48/573654148.db2.gz VRNZDMCNHISTGK-PHIMTYICSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86856116 573654161 /nfs/dbraw/zinc/65/41/61/573654161.db2.gz KEMLISZXCHYZJC-NXEZZACHSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86856085 573654219 /nfs/dbraw/zinc/65/42/19/573654219.db2.gz OMFQWZHQCOJUCC-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[NH2+]C[C@H]1C[NH2+]Cc2c(C)cccc21 257842145 573654234 /nfs/dbraw/zinc/65/42/34/573654234.db2.gz MNMQSKSAVLZIDY-JTQLQIEISA-N 2 1 190.290 1.401 10 0 ADAEMP C[NH+](C)[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86855997 573654264 /nfs/dbraw/zinc/65/42/64/573654264.db2.gz DCDXGDIUSGOYKK-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+][C@@H]1[C@@H]([N@H+](C)C2CC2)CCC1(C)C 86856129 573654281 /nfs/dbraw/zinc/65/42/81/573654281.db2.gz MGVLUDMBMLKEFT-WDEREUQCSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@@H]1[C@@H]([N@@H+](C)C2CC2)CCC1(C)C 86856129 573654285 /nfs/dbraw/zinc/65/42/85/573654285.db2.gz MGVLUDMBMLKEFT-WDEREUQCSA-N 2 1 196.338 1.857 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H](CC[NH3+])C(F)F)C1 259543310 573654302 /nfs/dbraw/zinc/65/43/02/573654302.db2.gz BZLUCDUDHLARNS-JGVFFNPUSA-N 2 1 192.253 1.168 10 0 ADAEMP CC(C)[N@@H+]1CC=C([C@@H](C)[NH3+])CC1 258082000 573654522 /nfs/dbraw/zinc/65/45/22/573654522.db2.gz MYELOJUUAGBDEW-SECBINFHSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC2([NH3+])CCC2)C1 86853918 573654550 /nfs/dbraw/zinc/65/45/50/573654550.db2.gz RIIBTDKIQDEZHZ-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC1([NH3+])CCC1 86853888 573654633 /nfs/dbraw/zinc/65/46/33/573654633.db2.gz MFFTWBKRGKVNNP-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC(C)(C)[C@@H]1[NH3+] 86856688 573657081 /nfs/dbraw/zinc/65/70/81/573657081.db2.gz QLXPROZUEZAOBI-VHSXEESVSA-N 2 1 193.294 1.880 10 0 ADAEMP CCc1[nH+]c2n(c1C)[C@@H](C)[C@H]([NH3+])CC2 107824890 573657106 /nfs/dbraw/zinc/65/71/06/573657106.db2.gz FQGIJKZVUPIEHX-IONNQARKSA-N 2 1 193.294 1.588 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]1C[C@H]1[NH2+]CCCO1 258851522 573657972 /nfs/dbraw/zinc/65/79/72/573657972.db2.gz ZZBVLIZENVYOSA-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C[C@H]1[NH2+]CCCO1 258851522 573657977 /nfs/dbraw/zinc/65/79/77/573657977.db2.gz ZZBVLIZENVYOSA-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@]2(C)[NH2+][C@@H](C)CO2)C1 258851531 573659922 /nfs/dbraw/zinc/65/99/22/573659922.db2.gz ZZESMNCFFHIPPJ-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@]2(C)[NH2+][C@@H](C)CO2)C1 258851531 573659929 /nfs/dbraw/zinc/65/99/29/573659929.db2.gz ZZESMNCFFHIPPJ-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CCc2[nH+]c3c(n21)CCC3 107828767 573659930 /nfs/dbraw/zinc/65/99/30/573659930.db2.gz VEUOZJFXAWSGBG-YUMQZZPRSA-N 2 1 191.278 1.206 10 0 ADAEMP CC1CC(C[NH3+])([C@H]2CCC[N@@H+](C)C2)C1 257842528 573660089 /nfs/dbraw/zinc/66/00/89/573660089.db2.gz CCRRQSNKDUKKOT-CXQJBGSLSA-N 2 1 196.338 1.703 10 0 ADAEMP Cc1cn2c([nH+]1)CC[C@H]([NH3+])[C@H]2C 107825471 573660092 /nfs/dbraw/zinc/66/00/92/573660092.db2.gz QFDRSVHGXIGOLX-SFYZADRCSA-N 2 1 165.240 1.026 10 0 ADAEMP CC(C)c1cn2c([nH+]1)CC[C@@H]([NH3+])[C@H]2C 107825478 573660125 /nfs/dbraw/zinc/66/01/25/573660125.db2.gz YXICRNRNDFQHEZ-RKDXNWHRSA-N 2 1 193.294 1.841 10 0 ADAEMP Cc1cn2c([nH+]1)CC[C@@H]([NH3+])[C@H]2C 107825474 573660162 /nfs/dbraw/zinc/66/01/62/573660162.db2.gz QFDRSVHGXIGOLX-HTQZYQBOSA-N 2 1 165.240 1.026 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCC1(C)C 86865793 573660239 /nfs/dbraw/zinc/66/02/39/573660239.db2.gz ZXMMIYULFKUPQV-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[N@@H+]1CC[C@H]([C@]2(C)[NH2+][C@H](C)CO2)C1 258851532 573660503 /nfs/dbraw/zinc/66/05/03/573660503.db2.gz ZZESMNCFFHIPPJ-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@H]([C@]2(C)[NH2+][C@H](C)CO2)C1 258851532 573660510 /nfs/dbraw/zinc/66/05/10/573660510.db2.gz ZZESMNCFFHIPPJ-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1CC([NH2+]CC[C@H]2CC[N@@H+](C)C2)C1 308666322 573660656 /nfs/dbraw/zinc/66/06/56/573660656.db2.gz SQQXAENEJRAYRE-CXQJBGSLSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1cn2c([nH+]1)[C@H](C)C[C@@H]([NH3+])C2 107827795 573660701 /nfs/dbraw/zinc/66/07/01/573660701.db2.gz XPRHETWMAAMPAV-HTRCEHHLSA-N 2 1 165.240 1.026 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC1(C)C 86865788 573660804 /nfs/dbraw/zinc/66/08/04/573660804.db2.gz LQTMMHWSAXLSDW-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+]CC[C@H](F)[C@@H]1CCC[N@@H+](C)C1 257842805 573661150 /nfs/dbraw/zinc/66/11/50/573661150.db2.gz MSNHJOWEFRZLCW-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP CC1CC(C[NH3+])([C@@H]2CCC[N@@H+](C)C2)C1 257842529 573661166 /nfs/dbraw/zinc/66/11/66/573661166.db2.gz CCRRQSNKDUKKOT-MOENNCHZSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC1(C)C 86865789 573661220 /nfs/dbraw/zinc/66/12/20/573661220.db2.gz LQTMMHWSAXLSDW-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCCC1(C)C 86865802 573661228 /nfs/dbraw/zinc/66/12/28/573661228.db2.gz ACPUNKXBNHDLBX-NSHDSACASA-N 2 1 184.327 1.892 10 0 ADAEMP C[NH2+]CC[C@@H](F)[C@H]1CCC[N@@H+](C)C1 257842804 573661382 /nfs/dbraw/zinc/66/13/82/573661382.db2.gz MSNHJOWEFRZLCW-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP CCc1[nH+]c2n(c1C)[C@H](C)[C@H]([NH3+])CC2 107824899 573661411 /nfs/dbraw/zinc/66/14/11/573661411.db2.gz FQGIJKZVUPIEHX-VXNVDRBHSA-N 2 1 193.294 1.588 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCC1(C)C 86865792 573661428 /nfs/dbraw/zinc/66/14/28/573661428.db2.gz ZXMMIYULFKUPQV-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)n1c[nH+]cc1CCC1([NH3+])CC1 257842743 573661560 /nfs/dbraw/zinc/66/15/60/573661560.db2.gz MRAXKIZLZNUABW-UHFFFAOYSA-N 2 1 193.294 1.888 10 0 ADAEMP CCc1[nH+]c2n(c1C)[C@@H](C)[C@@H]([NH3+])CC2 107824887 573661562 /nfs/dbraw/zinc/66/15/62/573661562.db2.gz FQGIJKZVUPIEHX-CBAPKCEASA-N 2 1 193.294 1.588 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCCC1(C)C 86865803 573661719 /nfs/dbraw/zinc/66/17/19/573661719.db2.gz ACPUNKXBNHDLBX-LLVKDONJSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CCc2[nH+]c3c(n21)CCC3 107828759 573661755 /nfs/dbraw/zinc/66/17/55/573661755.db2.gz VEUOZJFXAWSGBG-HTQZYQBOSA-N 2 1 191.278 1.206 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])Cn2c1[nH+]c1c2CCC1 107828831 573661776 /nfs/dbraw/zinc/66/17/76/573661776.db2.gz WHNPLYRMMVIKBV-HTQZYQBOSA-N 2 1 191.278 1.206 10 0 ADAEMP C1CCc2[nH+]c(CC3C[NH2+]C3)[nH]c2C1 259545517 573662164 /nfs/dbraw/zinc/66/21/64/573662164.db2.gz CBAAKZGJKYXMKL-UHFFFAOYSA-N 2 1 191.278 1.050 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])Cn2c1[nH+]c1c2CCC1 107828830 573662327 /nfs/dbraw/zinc/66/23/27/573662327.db2.gz WHNPLYRMMVIKBV-YUMQZZPRSA-N 2 1 191.278 1.206 10 0 ADAEMP C[C@@H]1[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+]21 238472823 573662421 /nfs/dbraw/zinc/66/24/21/573662421.db2.gz IZJFQWCPGXRFQD-RHYQMDGZSA-N 2 1 194.322 1.611 10 0 ADAEMP C[NH2+]CC[NH2+]CC(C)(C)C1CCC1 258849398 573662438 /nfs/dbraw/zinc/66/24/38/573662438.db2.gz XEMSZZUPQVTNDH-UHFFFAOYSA-N 2 1 184.327 1.622 10 0 ADAEMP CCc1[nH+]c2n(c1C)C[C@H]([NH3+])C[C@@H]2C 107824547 573662467 /nfs/dbraw/zinc/66/24/67/573662467.db2.gz TYRWHRSTFYKURW-IONNQARKSA-N 2 1 193.294 1.588 10 0 ADAEMP CC1(C)C[N@@H+](C/C=C\C[NH3+])CCCO1 308664718 573664387 /nfs/dbraw/zinc/66/43/87/573664387.db2.gz RXCDUPGKPBRQNV-ARJAWSKDSA-N 2 1 198.310 1.002 10 0 ADAEMP COc1cccc(C[NH2+]C[C@H](C)[NH3+])c1 258857367 573665860 /nfs/dbraw/zinc/66/58/60/573665860.db2.gz YDWKGVCQMJCRLA-VIFPVBQESA-N 2 1 194.278 1.132 10 0 ADAEMP CCCc1[nH]c2c([nH+]1)C[C@H](C[NH3+])CC2 257844180 573665964 /nfs/dbraw/zinc/66/59/64/573665964.db2.gz AEFLHYSOBQMZOH-MRVPVSSYSA-N 2 1 193.294 1.426 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)CCC1CC1 308661754 573666214 /nfs/dbraw/zinc/66/62/14/573666214.db2.gz QGSXRBQNNKIUNC-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)CCC1CC1 308410437 573666987 /nfs/dbraw/zinc/66/69/87/573666987.db2.gz OBIWRDJUSSVCKI-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)CCC1CC1 308410426 573666534 /nfs/dbraw/zinc/66/65/34/573666534.db2.gz OBIWRDJUSSVCKI-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CC[C@H](CC2(C[NH3+])CCC2)C1 259153237 573666878 /nfs/dbraw/zinc/66/68/78/573666878.db2.gz OBAVNWBDGLOOGD-SNVBAGLBSA-N 2 1 182.311 1.457 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1C[C@@H](C)[NH3+] 107947734 573670957 /nfs/dbraw/zinc/67/09/57/573670957.db2.gz KQXSARUBYWMAPH-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H]([NH3+])C[C@H]1CCCC[N@H+]1C 107948063 573672414 /nfs/dbraw/zinc/67/24/14/573672414.db2.gz WZXGBRSHHPOVFZ-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[C@H]([NH3+])C[C@@H]1CC[N@@H+](C)C1 107932440 573673725 /nfs/dbraw/zinc/67/37/25/573673725.db2.gz SEYCKLCWDMYHJD-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CCC1CC1 308411793 573670056 /nfs/dbraw/zinc/67/00/56/573670056.db2.gz OPGKNTGIJVPABH-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 126761524 573670248 /nfs/dbraw/zinc/67/02/48/573670248.db2.gz HBQASOUNNJJUIX-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)CCC1CC1 308661755 573670455 /nfs/dbraw/zinc/67/04/55/573670455.db2.gz QGSXRBQNNKIUNC-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+](C)CCC1CC1 308661753 573670553 /nfs/dbraw/zinc/67/05/53/573670553.db2.gz QGSXRBQNNKIUNC-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)C(C)C)CCC1 258868496 573670790 /nfs/dbraw/zinc/67/07/90/573670790.db2.gz BCBCERODXNWADO-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]([NH3+])CC[C@@H]1CC[N@@H+](C)C1 107932409 573671003 /nfs/dbraw/zinc/67/10/03/573671003.db2.gz BAEJAWCHTPFGPX-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H](C[NH3+])c1[nH+]ccc2[nH]ccc12 238467085 573671064 /nfs/dbraw/zinc/67/10/64/573671064.db2.gz IZRODJBPRNQONN-SSDOTTSWSA-N 2 1 175.235 1.625 10 0 ADAEMP C[N@@H+](CCC1CCC1)C[C@H]1CC[NH2+]C1 258873048 573671071 /nfs/dbraw/zinc/67/10/71/573671071.db2.gz JTVIEMFHTYTLCT-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+](C)Cc1ccc[nH]1 258871046 573671141 /nfs/dbraw/zinc/67/11/41/573671141.db2.gz ZRVHDUHCVMXCKY-SECBINFHSA-N 2 1 181.283 1.184 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc[nH]1 258871046 573671144 /nfs/dbraw/zinc/67/11/44/573671144.db2.gz ZRVHDUHCVMXCKY-SECBINFHSA-N 2 1 181.283 1.184 10 0 ADAEMP CC[C@@H]([NH3+])C[C@@H]1CC[N@@H+](C)C1 107932388 573671326 /nfs/dbraw/zinc/67/13/26/573671326.db2.gz IBXCQCWOZXRKJZ-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[C@@H]1CCCC[N@H+]1C 107948137 573671339 /nfs/dbraw/zinc/67/13/39/573671339.db2.gz MIVUTNCVCWLQRP-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+](C)Cc1ccc[nH]1 258871048 573671394 /nfs/dbraw/zinc/67/13/94/573671394.db2.gz ZRVHDUHCVMXCKY-VIFPVBQESA-N 2 1 181.283 1.184 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)Cc1ccc[nH]1 258871048 573671397 /nfs/dbraw/zinc/67/13/97/573671397.db2.gz ZRVHDUHCVMXCKY-VIFPVBQESA-N 2 1 181.283 1.184 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[C@H]1CCCC[N@H+]1C 107948145 573671414 /nfs/dbraw/zinc/67/14/14/573671414.db2.gz MIVUTNCVCWLQRP-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@H]([NH3+])C2CCCC2)C1 107932432 573671523 /nfs/dbraw/zinc/67/15/23/573671523.db2.gz UTVBRRSXCIWGTN-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([NH3+])CC[C@H]1CC[N@@H+](C)C1 107932415 573671774 /nfs/dbraw/zinc/67/17/74/573671774.db2.gz BAEJAWCHTPFGPX-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1 107955575 573673865 /nfs/dbraw/zinc/67/38/65/573673865.db2.gz LBSVRDHWUJSLSC-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[C@H]1CC[N@@H+](C)C1 107932449 573671821 /nfs/dbraw/zinc/67/18/21/573671821.db2.gz SEYCKLCWDMYHJD-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1C[C@@H](C)[NH3+] 107947737 573671919 /nfs/dbraw/zinc/67/19/19/573671919.db2.gz KQXSARUBYWMAPH-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H]([NH3+])C[C@H]1CCC[N@@H+](C)C1 107955528 573672071 /nfs/dbraw/zinc/67/20/71/573672071.db2.gz GBZMKMLKUBLFIL-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]([NH3+])CC[C@@H]1CC[N@@H+](C)C1 107932412 573672200 /nfs/dbraw/zinc/67/22/00/573672200.db2.gz BAEJAWCHTPFGPX-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]([NH3+])CC[C@H]1CC[N@@H+](C)C1 107932417 573672225 /nfs/dbraw/zinc/67/22/25/573672225.db2.gz BAEJAWCHTPFGPX-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+]CC1([C@@H]([NH3+])c2ccc[nH]2)CC1 259550449 573672228 /nfs/dbraw/zinc/67/22/28/573672228.db2.gz UNUFJKIKAFLSQT-VIFPVBQESA-N 2 1 179.267 1.014 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1[N@H+](C)CCCF 716755681 573672365 /nfs/dbraw/zinc/67/23/65/573672365.db2.gz ALEFHUNKJJYAPA-VHSXEESVSA-N 2 1 188.290 1.418 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CCCF 716755681 573672370 /nfs/dbraw/zinc/67/23/70/573672370.db2.gz ALEFHUNKJJYAPA-VHSXEESVSA-N 2 1 188.290 1.418 10 0 ADAEMP CC[C@@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1 107955525 573672394 /nfs/dbraw/zinc/67/23/94/573672394.db2.gz GBZMKMLKUBLFIL-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CCCF 716755678 573672552 /nfs/dbraw/zinc/67/25/52/573672552.db2.gz ALEFHUNKJJYAPA-UWVGGRQHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CCCF 716755678 573672558 /nfs/dbraw/zinc/67/25/58/573672558.db2.gz ALEFHUNKJJYAPA-UWVGGRQHSA-N 2 1 188.290 1.418 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[C@H]1CCC[N@@H+](C)C1 107955581 573675312 /nfs/dbraw/zinc/67/53/12/573675312.db2.gz LBSVRDHWUJSLSC-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])C[C@@H]1CCCC[N@H+]1C 107948057 573672643 /nfs/dbraw/zinc/67/26/43/573672643.db2.gz WZXGBRSHHPOVFZ-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]CC1([C@H]([NH3+])c2ccc[nH]2)CC1 259550447 573672699 /nfs/dbraw/zinc/67/26/99/573672699.db2.gz UNUFJKIKAFLSQT-SECBINFHSA-N 2 1 179.267 1.014 10 0 ADAEMP CC[C@H]([NH3+])C[C@H]1CC[N@@H+](C)C1 107932390 573672726 /nfs/dbraw/zinc/67/27/26/573672726.db2.gz IBXCQCWOZXRKJZ-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]([NH3+])C[C@@H]1CC[N@@H+](C)C1 107932384 573673180 /nfs/dbraw/zinc/67/31/80/573673180.db2.gz IBXCQCWOZXRKJZ-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CCCF 716755682 573672801 /nfs/dbraw/zinc/67/28/01/573672801.db2.gz ALEFHUNKJJYAPA-ZJUUUORDSA-N 2 1 188.290 1.418 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CCCF 716755682 573672804 /nfs/dbraw/zinc/67/28/04/573672804.db2.gz ALEFHUNKJJYAPA-ZJUUUORDSA-N 2 1 188.290 1.418 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C[C@@H](C)[NH3+])C1 107955245 573672859 /nfs/dbraw/zinc/67/28/59/573672859.db2.gz DWXKBOKNTYMCIR-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CCCF 716755676 573673012 /nfs/dbraw/zinc/67/30/12/573673012.db2.gz ALEFHUNKJJYAPA-NXEZZACHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CCCF 716755676 573673015 /nfs/dbraw/zinc/67/30/15/573673015.db2.gz ALEFHUNKJJYAPA-NXEZZACHSA-N 2 1 188.290 1.418 10 0 ADAEMP CC[C@H]([NH3+])C[C@@H]1CCCC[N@H+]1C 107948053 573673073 /nfs/dbraw/zinc/67/30/73/573673073.db2.gz WZXGBRSHHPOVFZ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc[nH]1 258869431 573673087 /nfs/dbraw/zinc/67/30/87/573673087.db2.gz BEKPIVXOZLQTLD-JTQLQIEISA-N 2 1 195.310 1.431 10 0 ADAEMP Cc1cc(CC[NH2+]CC[NH3+])ccc1F 258867143 573673148 /nfs/dbraw/zinc/67/31/48/573673148.db2.gz ZLDSLZMKFWEZRF-UHFFFAOYSA-N 2 1 196.269 1.225 10 0 ADAEMP CC(C)(C)[NH2+]CCC[NH+]1CC=CC1 308414211 573675339 /nfs/dbraw/zinc/67/53/39/573675339.db2.gz PYBNRBJBCAZCRC-UHFFFAOYSA-N 2 1 182.311 1.636 10 0 ADAEMP C[N@@H+](CCC1CCC1)C[C@@H]1CC[NH2+]C1 258873044 573673249 /nfs/dbraw/zinc/67/32/49/573673249.db2.gz JTVIEMFHTYTLCT-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@@H]([NH3+])C[C@H]1CCCC[N@H+]1C 107948066 573673512 /nfs/dbraw/zinc/67/35/12/573673512.db2.gz WZXGBRSHHPOVFZ-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP Cn1cc[nH+]c1CC[C@@H](F)CC[NH3+] 126756700 573673857 /nfs/dbraw/zinc/67/38/57/573673857.db2.gz RHYXKALHUJATOR-MRVPVSSYSA-N 2 1 185.246 1.040 10 0 ADAEMP CC(C)[C@H]([NH3+])C[C@H]1CCCC[N@H+]1C 107948141 573673945 /nfs/dbraw/zinc/67/39/45/573673945.db2.gz MIVUTNCVCWLQRP-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@H+]1CC[C@@H](CCC[NH2+]C)C1 107932846 573673964 /nfs/dbraw/zinc/67/39/64/573673964.db2.gz ZHLJJBLXHHRZBJ-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CC(C)[C@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1 107955571 573674040 /nfs/dbraw/zinc/67/40/40/573674040.db2.gz LBSVRDHWUJSLSC-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H]([NH3+])C[C@@H]1CCCC[N@H+]1C 107948134 573674057 /nfs/dbraw/zinc/67/40/57/573674057.db2.gz MIVUTNCVCWLQRP-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)(CC[NH3+])[NH2+]Cc1ccco1 258871347 573674063 /nfs/dbraw/zinc/67/40/63/573674063.db2.gz DABRWVLHXSSGTL-UHFFFAOYSA-N 2 1 182.267 1.497 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)CCC1CC1 308411795 573674172 /nfs/dbraw/zinc/67/41/72/573674172.db2.gz OPGKNTGIJVPABH-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CCC[C@H](C2([NH3+])CCCC2)C1 258075906 573674175 /nfs/dbraw/zinc/67/41/75/573674175.db2.gz QQTUQUVZQKSEMQ-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[C@@H]1CC[N@@H+](C)C1 107932443 573674254 /nfs/dbraw/zinc/67/42/54/573674254.db2.gz SEYCKLCWDMYHJD-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H]([NH3+])C[C@H]1CCC[N@@H+](C)C1 107955578 573674274 /nfs/dbraw/zinc/67/42/74/573674274.db2.gz LBSVRDHWUJSLSC-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])C[C@H]1CC[N@@H+](C)C1 107932393 573674395 /nfs/dbraw/zinc/67/43/95/573674395.db2.gz IBXCQCWOZXRKJZ-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]([NH3+])CCCC[N@@H+](C)CCCF 716757812 573674474 /nfs/dbraw/zinc/67/44/74/573674474.db2.gz YSVCDWHAOQGRLK-SNVBAGLBSA-N 2 1 190.306 1.795 10 0 ADAEMP CC[C@@H]([NH3+])C[C@H]1CCC[N@@H+](C)C1 107955531 573674600 /nfs/dbraw/zinc/67/46/00/573674600.db2.gz GBZMKMLKUBLFIL-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C2([NH3+])CCCC2)C1 258075905 573675449 /nfs/dbraw/zinc/67/54/49/573675449.db2.gz QQTUQUVZQKSEMQ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]([NH3+])CCCC[N@@H+](C)CCCF 716757808 573674719 /nfs/dbraw/zinc/67/47/19/573674719.db2.gz YSVCDWHAOQGRLK-JTQLQIEISA-N 2 1 190.306 1.795 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 107932436 573674799 /nfs/dbraw/zinc/67/47/99/573674799.db2.gz UTVBRRSXCIWGTN-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H]([NH3+])C[C@H]1CC[N@@H+](C)C1 107932446 573674993 /nfs/dbraw/zinc/67/49/93/573674993.db2.gz SEYCKLCWDMYHJD-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[N@@H+](CCC[NH3+])CCCCOC 130809033 573675062 /nfs/dbraw/zinc/67/50/62/573675062.db2.gz VXKCVNWQKKYGKK-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[C@@H](C)[NH3+])C1 107955243 573675094 /nfs/dbraw/zinc/67/50/94/573675094.db2.gz DWXKBOKNTYMCIR-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](Cc2ccoc2)CC[C@@H]1[NH3+] 86884189 573675151 /nfs/dbraw/zinc/67/51/51/573675151.db2.gz RPXGKSOXAFOGAW-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@@H]1[NH3+] 86884189 573675156 /nfs/dbraw/zinc/67/51/56/573675156.db2.gz RPXGKSOXAFOGAW-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP C[N@@H+](CCC1CCC1)CC1(C[NH3+])CC1 258869318 573675222 /nfs/dbraw/zinc/67/52/22/573675222.db2.gz HSIUOTIMPZCHDA-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H]1C[NH2+]C(C)(C)C1 258090548 573676920 /nfs/dbraw/zinc/67/69/20/573676920.db2.gz GMCKKTKNVOABSS-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 86886374 573676359 /nfs/dbraw/zinc/67/63/59/573676359.db2.gz PRRQJCGXNBWETH-QWRGUYRKSA-N 2 1 182.311 1.622 10 0 ADAEMP CC[C@H](C[N@H+](C)CCC1CC1)[NH2+]C 308413578 573676447 /nfs/dbraw/zinc/67/64/47/573676447.db2.gz PPZBFEJVIFQGDT-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C[N@@H+](C)CCC1CC1)[NH2+]C 308413578 573676449 /nfs/dbraw/zinc/67/64/49/573676449.db2.gz PPZBFEJVIFQGDT-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]CC1(C[NH2+]Cc2ccoc2)CC1 130808780 573676681 /nfs/dbraw/zinc/67/66/81/573676681.db2.gz VPCWNZDXYFQMBT-UHFFFAOYSA-N 2 1 180.251 1.108 10 0 ADAEMP CC(C)(C[NH2+]CC[NH3+])C1CCC1 258866934 573676716 /nfs/dbraw/zinc/67/67/16/573676716.db2.gz ZHZDPOSCCQKMLC-UHFFFAOYSA-N 2 1 170.300 1.361 10 0 ADAEMP CC[N@H+]1CCCC[C@H](CC[NH3+])C1 107982040 573676932 /nfs/dbraw/zinc/67/69/32/573676932.db2.gz KFZHITOXASJPDJ-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP C[C@H]1C[N@H+](C/C=C/Cl)CC[C@@H]1[NH3+] 86886554 573677005 /nfs/dbraw/zinc/67/70/05/573677005.db2.gz QGKSGULOIJCEQY-WIYOPTIVSA-N 2 1 188.702 1.408 10 0 ADAEMP C[C@H]1C[N@@H+](C/C=C/Cl)CC[C@@H]1[NH3+] 86886554 573677010 /nfs/dbraw/zinc/67/70/10/573677010.db2.gz QGKSGULOIJCEQY-WIYOPTIVSA-N 2 1 188.702 1.408 10 0 ADAEMP CC[C@@H]1C[C@H]([NH3+])C[N@@H+](CC)C1 108001023 573677027 /nfs/dbraw/zinc/67/70/27/573677027.db2.gz QZMCUHMKQRFOHR-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCCC[C@@H](C[NH3+])C1 107981748 573677130 /nfs/dbraw/zinc/67/71/30/573677130.db2.gz RLRULQGBINOQNX-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[C@@H]2[NH2+]CCO2)C1 258089931 573677200 /nfs/dbraw/zinc/67/72/00/573677200.db2.gz JNTXYYRADKNEOE-WDEREUQCSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1CC([N@H+]2CCC[C@H]([NH3+])C2)C1 108004375 573677213 /nfs/dbraw/zinc/67/72/13/573677213.db2.gz GTYSLJJUXXJZLJ-KYHHOPLUSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@H+]1CCCC[C@H](C[NH3+])C1 107981746 573677566 /nfs/dbraw/zinc/67/75/66/573677566.db2.gz RLRULQGBINOQNX-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CCC(C)(C)C[NH2+]C(C)(C)C[NH3+] 258876169 573677852 /nfs/dbraw/zinc/67/78/52/573677852.db2.gz PPAYRKZYFVWZLF-UHFFFAOYSA-N 2 1 172.316 1.750 10 0 ADAEMP C1CC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)C1 83838545 573677866 /nfs/dbraw/zinc/67/78/66/573677866.db2.gz VNCZKISZCFBZAL-VXGBXAGGSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)C1 83838545 573677871 /nfs/dbraw/zinc/67/78/71/573677871.db2.gz VNCZKISZCFBZAL-VXGBXAGGSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@H+](CC1CCC1)C[C@@H](C)C[NH3+] 83838123 573678501 /nfs/dbraw/zinc/67/85/01/573678501.db2.gz FDVODVORPLXAJN-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC1([NH2+]CC2([NH3+])CC2)CCCC1 83837591 573678080 /nfs/dbraw/zinc/67/80/80/573678080.db2.gz IKGXEDIYIDHFBX-UHFFFAOYSA-N 2 1 168.284 1.400 10 0 ADAEMP CC1C[C@@H]2C[N@H+](C)C[C@H](C1)C2C[NH3+] 259548857 573678151 /nfs/dbraw/zinc/67/81/51/573678151.db2.gz CKTMXPQKWKSJEB-GGWWSXTCSA-N 2 1 182.311 1.169 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)C(C)(C)C 258875035 573678183 /nfs/dbraw/zinc/67/81/83/573678183.db2.gz JVMIMZWZOBPBJZ-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+]C(C)(C)C1 258090550 573678201 /nfs/dbraw/zinc/67/82/01/573678201.db2.gz GMCKKTKNVOABSS-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1CC([N@H+]2CCC[C@@H]([NH3+])C2)C1 108004381 573678343 /nfs/dbraw/zinc/67/83/43/573678343.db2.gz GTYSLJJUXXJZLJ-HWOCKDDLSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[C@H]2[NH2+]CCO2)C1 258089922 573678365 /nfs/dbraw/zinc/67/83/65/573678365.db2.gz JNTXYYRADKNEOE-MNOVXSKESA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CC2)C1 259617433 573680110 /nfs/dbraw/zinc/68/01/10/573680110.db2.gz DZXCEMGGKHMOBT-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@H]1C[NH2+]C(C)(C)C1 258090547 573680226 /nfs/dbraw/zinc/68/02/26/573680226.db2.gz GMCKKTKNVOABSS-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](C2CC(C)C2)C1 108010845 573680356 /nfs/dbraw/zinc/68/03/56/573680356.db2.gz KQCAVBABMUHJSZ-YVNMAJEFSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C2CC(C)C2)C1 108010845 573680358 /nfs/dbraw/zinc/68/03/58/573680358.db2.gz KQCAVBABMUHJSZ-YVNMAJEFSA-N 2 1 182.311 1.469 10 0 ADAEMP C1CC1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]21 686248728 573680381 /nfs/dbraw/zinc/68/03/81/573680381.db2.gz RBSTXGKBOAFFMO-GHMZBOCLSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]21 686248728 573680389 /nfs/dbraw/zinc/68/03/89/573680389.db2.gz RBSTXGKBOAFFMO-GHMZBOCLSA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[C@H]2[NH2+]CCO2)C1 258089925 573680406 /nfs/dbraw/zinc/68/04/06/573680406.db2.gz JNTXYYRADKNEOE-QWRGUYRKSA-N 2 1 198.310 1.053 10 0 ADAEMP NC(=[NH2+])[C@H]1CCC[N@@H+](CC2CCC2)C1 83839251 573680443 /nfs/dbraw/zinc/68/04/43/573680443.db2.gz ODPICVCLKRWWDZ-JTQLQIEISA-N 2 1 195.310 1.434 10 0 ADAEMP CCC[N@H+]1CCCC[C@@H](C[NH3+])C1 107981754 573680557 /nfs/dbraw/zinc/68/05/57/573680557.db2.gz WOHOVSVBKDQUSA-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H]1C[NH2+]C(C)(C)C1 258090552 573680581 /nfs/dbraw/zinc/68/05/81/573680581.db2.gz GMCKKTKNVOABSS-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@H](CC[NH3+])C1(C)C 259548190 573680853 /nfs/dbraw/zinc/68/08/53/573680853.db2.gz XDGPGIPMULANHA-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[C@@H]2[NH2+]CCO2)C1 258089918 573681092 /nfs/dbraw/zinc/68/10/92/573681092.db2.gz JNTXYYRADKNEOE-GHMZBOCLSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C[C@@H]1C 130843982 573683878 /nfs/dbraw/zinc/68/38/78/573683878.db2.gz OTSJBYNORMRUEK-NNYUYHANSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C[C@@H]1C 130843982 573683884 /nfs/dbraw/zinc/68/38/84/573683884.db2.gz OTSJBYNORMRUEK-NNYUYHANSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@H+]1CCCC[C@H](C[NH3+])C1 107981752 573683116 /nfs/dbraw/zinc/68/31/16/573683116.db2.gz WOHOVSVBKDQUSA-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C[C@@H]1C 130843579 573683224 /nfs/dbraw/zinc/68/32/24/573683224.db2.gz OTSJBYNORMRUEK-YFKTTZPYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C[C@@H]1C 130843579 573683228 /nfs/dbraw/zinc/68/32/28/573683228.db2.gz OTSJBYNORMRUEK-YFKTTZPYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1CC[N@H+]1CCCC[NH+](C)C 308422347 573683504 /nfs/dbraw/zinc/68/35/04/573683504.db2.gz UINYSCYQRZFGEH-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CC[N@H+]1CCCC[C@@H](CC[NH3+])C1 107982042 573683985 /nfs/dbraw/zinc/68/39/85/573683985.db2.gz KFZHITOXASJPDJ-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC2(CC[NH3+])CC2)C1 83853256 573685330 /nfs/dbraw/zinc/68/53/30/573685330.db2.gz MOZNCIMGXONEOG-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP C1CC(C[N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 83842180 573684489 /nfs/dbraw/zinc/68/44/89/573684489.db2.gz VKGPYLJDTYOBDV-WDEREUQCSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC(C[N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)C1 83842180 573684496 /nfs/dbraw/zinc/68/44/96/573684496.db2.gz VKGPYLJDTYOBDV-WDEREUQCSA-N 2 1 180.295 1.080 10 0 ADAEMP COCCCC[N@@H+](C)[C@@H](C)CC[NH3+] 130816825 573684621 /nfs/dbraw/zinc/68/46/21/573684621.db2.gz IECRZLNFAXPGMN-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP COCCCC[N@@H+](C)[C@H](C)CC[NH3+] 130817018 573684691 /nfs/dbraw/zinc/68/46/91/573684691.db2.gz IECRZLNFAXPGMN-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP [NH3+]C[C@@]1(c2ccccc2)CCC[NH2+]1 258092341 573684722 /nfs/dbraw/zinc/68/47/22/573684722.db2.gz IPUNFMORXOVGOZ-LLVKDONJSA-N 2 1 176.263 1.224 10 0 ADAEMP CO[C@H](C)C[N@@H+](C)CCC[C@@H](C)[NH3+] 393548503 573684850 /nfs/dbraw/zinc/68/48/50/573684850.db2.gz RJTIZNHVUOZMBP-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[N@@H+](CCC1CC1)[C@@H]1CCC[C@H]([NH3+])C1 308669767 573685031 /nfs/dbraw/zinc/68/50/31/573685031.db2.gz UUDYOANHLHNSSA-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP CSC[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259170327 573685134 /nfs/dbraw/zinc/68/51/34/573685134.db2.gz OGQPUMNGXTXIKS-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)C[N@H+]1CCC(C)(C)[C@H](C[NH3+])C1 259157406 573685298 /nfs/dbraw/zinc/68/52/98/573685298.db2.gz FVQOJPHXOGQISA-LLVKDONJSA-N 2 1 198.354 1.949 10 0 ADAEMP Cc1nc2ccc(C=CC[NH3+])cc2[nH]1 308417349 573686865 /nfs/dbraw/zinc/68/68/65/573686865.db2.gz QCRRVKZPJNCYTF-IHWYPQMZSA-N 2 1 187.246 1.843 10 0 ADAEMP CO[C@@H](C)C[N@@H+](C)CCC[C@@H](C)[NH3+] 393548506 573688017 /nfs/dbraw/zinc/68/80/17/573688017.db2.gz RJTIZNHVUOZMBP-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CSC[C@H]([NH3+])[C@H]1CCC[N@@H+](C)C1 259170324 573688198 /nfs/dbraw/zinc/68/81/98/573688198.db2.gz OGQPUMNGXTXIKS-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CSC[C@H]([NH3+])[C@@H]1CCC[N@@H+](C)C1 259170319 573688674 /nfs/dbraw/zinc/68/86/74/573688674.db2.gz OGQPUMNGXTXIKS-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[N@@H+](CCC1CC1)CC1(CC[NH3+])CC1 308678225 573688871 /nfs/dbraw/zinc/68/88/71/573688871.db2.gz WTXIIMMGUFQUSB-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 308421274 573689123 /nfs/dbraw/zinc/68/91/23/573689123.db2.gz ZFLRDGQEFATMFD-DQOJRVPBSA-N 2 1 194.322 1.636 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 308421274 573689126 /nfs/dbraw/zinc/68/91/26/573689126.db2.gz ZFLRDGQEFATMFD-DQOJRVPBSA-N 2 1 194.322 1.636 10 0 ADAEMP Cc1cc(C)cc(C[NH2+]CC[NH3+])c1 43393577 573689440 /nfs/dbraw/zinc/68/94/40/573689440.db2.gz CFTXDJBNTCTZPF-UHFFFAOYSA-N 2 1 178.279 1.352 10 0 ADAEMP [NH3+]CC[NH2+][C@@H]1CCOC2(CCCC2)C1 86902639 573689921 /nfs/dbraw/zinc/68/99/21/573689921.db2.gz GGXLMPZTFZXSOC-SNVBAGLBSA-N 2 1 198.310 1.027 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCC[C@H]21 393550729 573690034 /nfs/dbraw/zinc/69/00/34/573690034.db2.gz JBTICGCHKYBOPY-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCC[C@H]21 393550729 573690035 /nfs/dbraw/zinc/69/00/35/573690035.db2.gz JBTICGCHKYBOPY-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCC[C@@H]21 393550731 573690283 /nfs/dbraw/zinc/69/02/83/573690283.db2.gz JBTICGCHKYBOPY-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCC[C@@H]21 393550731 573690288 /nfs/dbraw/zinc/69/02/88/573690288.db2.gz JBTICGCHKYBOPY-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]CCCC[C@H]1CCC[N@@H+](C)C1 259160956 573690413 /nfs/dbraw/zinc/69/04/13/573690413.db2.gz ORIWUQTZYQBQOL-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP [NH3+]CC[NH2+][C@H]1CCOC2(CCCC2)C1 86902645 573690428 /nfs/dbraw/zinc/69/04/28/573690428.db2.gz GGXLMPZTFZXSOC-JTQLQIEISA-N 2 1 198.310 1.027 10 0 ADAEMP C[C@H](C[NH+](C)C)NC(=[NH2+])C(C)(C)C 130748246 573691305 /nfs/dbraw/zinc/69/13/05/573691305.db2.gz JRVLISPLSZJTJB-MRVPVSSYSA-N 2 1 185.315 1.549 10 0 ADAEMP C[NH2+]CCCC[C@H]1CC[N@@H+](C)C1 259163805 573691517 /nfs/dbraw/zinc/69/15/17/573691517.db2.gz OZRPZXIGIBPMNM-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP C[C@@H](C[NH+](C)C)NC(=[NH2+])C1CCCC1 130745476 573691758 /nfs/dbraw/zinc/69/17/58/573691758.db2.gz KUABJIGMYFCWBP-VIFPVBQESA-N 2 1 197.326 1.694 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@](C)(F)CC[NH3+])C1 257851158 573691688 /nfs/dbraw/zinc/69/16/88/573691688.db2.gz OXLVGWAJDBYEAC-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H](C[NH3+])c2cc[nH]c2)C1 259162742 573692797 /nfs/dbraw/zinc/69/27/97/573692797.db2.gz NVUNQYJNYQTAMQ-QWRGUYRKSA-N 2 1 193.294 1.009 10 0 ADAEMP C[NH2+]CCCC[C@@H]1CCC[N@@H+](C)C1 259160952 573692911 /nfs/dbraw/zinc/69/29/11/573692911.db2.gz ORIWUQTZYQBQOL-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](C)CCC1CC1 308418757 573693831 /nfs/dbraw/zinc/69/38/31/573693831.db2.gz RTNRWQNDGNRHSS-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@](C)(F)CC[NH3+])C1 257851165 573693953 /nfs/dbraw/zinc/69/39/53/573693953.db2.gz OXLVGWAJDBYEAC-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC1(C)C[C@@H](C[NH3+])C[N@H+]1C1CCCC1 259556771 573694201 /nfs/dbraw/zinc/69/42/01/573694201.db2.gz XOOQCXNNHJYOSC-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]CCCC[C@@H]1CC[N@@H+](C)C1 259163808 573694234 /nfs/dbraw/zinc/69/42/34/573694234.db2.gz OZRPZXIGIBPMNM-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1[C@H](C[NH3+])C1(F)F 715172297 573695639 /nfs/dbraw/zinc/69/56/39/573695639.db2.gz ANYHFXWSWGWDCO-YUMQZZPRSA-N 2 1 192.253 1.167 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+](C)C[C@@H](C)OC 393552170 573696069 /nfs/dbraw/zinc/69/60/69/573696069.db2.gz HNPHIOSSIBXJDL-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H](C[NH+](C)C)NC(=[NH2+])C1CCCC1 130745724 573695299 /nfs/dbraw/zinc/69/52/99/573695299.db2.gz KUABJIGMYFCWBP-SECBINFHSA-N 2 1 197.326 1.694 10 0 ADAEMP C[N@H+]1CCC[C@@]1(CN)c1ccccc1 258884448 573695323 /nfs/dbraw/zinc/69/53/23/573695323.db2.gz XXTLPCRNWVFXFR-GFCCVEGCSA-N 2 1 190.290 1.566 10 0 ADAEMP CN1CCC[C@@]1(C[NH3+])c1ccccc1 258884448 573695332 /nfs/dbraw/zinc/69/53/32/573695332.db2.gz XXTLPCRNWVFXFR-GFCCVEGCSA-N 2 1 190.290 1.566 10 0 ADAEMP CC1(C)C[C@H](C[NH3+])C[N@H+]1C1CCCC1 259556775 573695452 /nfs/dbraw/zinc/69/54/52/573695452.db2.gz XOOQCXNNHJYOSC-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CN(CCC2CC2)CCC[NH2+]1 83913026 573695491 /nfs/dbraw/zinc/69/54/91/573695491.db2.gz ZAPMYIQSUBFUBE-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H](C[NH3+])c2cc[nH]c2)C1 259162743 573695604 /nfs/dbraw/zinc/69/56/04/573695604.db2.gz NVUNQYJNYQTAMQ-WDEREUQCSA-N 2 1 193.294 1.009 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)C[C@@H](C)OC 393552170 573696074 /nfs/dbraw/zinc/69/60/74/573696074.db2.gz HNPHIOSSIBXJDL-NXEZZACHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@H]1CCN(CCC2CC2)CC[NH2+]1 83912306 573695891 /nfs/dbraw/zinc/69/58/91/573695891.db2.gz WMOVLYWAIUEAQW-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CC1 83895162 573695967 /nfs/dbraw/zinc/69/59/67/573695967.db2.gz UANVJTAMOBNVNN-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1cc2c(cc1C)[C@@H]([NH3+])[C@@H](N)CC2 238480929 573696067 /nfs/dbraw/zinc/69/60/67/573696067.db2.gz CHSWHCZPZXPYSL-NWDGAFQWSA-N 2 1 190.290 1.577 10 0 ADAEMP C[C@@H]1C[NH2+]CCN(CCC2CC2)C1 83912273 573700739 /nfs/dbraw/zinc/70/07/39/573700739.db2.gz NGNGJGMZPVZNOK-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CCCc1c[nH]c(C[C@@H](C)C[NH3+])[nH+]1 259166713 573700763 /nfs/dbraw/zinc/70/07/63/573700763.db2.gz UXIGISFCZXEEMV-MRVPVSSYSA-N 2 1 181.283 1.500 10 0 ADAEMP CC(=[NH2+])N1C[C@H]2CCC[N@@H+]2C[C@@H]1C 86933463 573699198 /nfs/dbraw/zinc/69/91/98/573699198.db2.gz WPIRXHQHKCGPJM-WCBMZHEXSA-N 2 1 181.283 1.152 10 0 ADAEMP C[C@H]1CN(CCC2CC2)CCC[NH2+]1 83913268 573699219 /nfs/dbraw/zinc/69/92/19/573699219.db2.gz GQPTXABMKXPOMJ-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC 308425502 573699433 /nfs/dbraw/zinc/69/94/33/573699433.db2.gz QXUDXIGTECZJJI-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C1C[NH2+]CCN(CCC2CC2)C1 83912270 573699448 /nfs/dbraw/zinc/69/94/48/573699448.db2.gz IOWWXFOEPZAFRN-UHFFFAOYSA-N 2 1 168.284 1.082 10 0 ADAEMP C[N@@H+](CCCC(N)=[NH2+])CCC1CC1 308425335 573699591 /nfs/dbraw/zinc/69/95/91/573699591.db2.gz WIMKBVITEJNRCS-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1[NH3+] 83895129 573699593 /nfs/dbraw/zinc/69/95/93/573699593.db2.gz JOAJJDUNHBLQCF-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]CC1([NH+](C)C)CCCCC1 75825438 573700895 /nfs/dbraw/zinc/70/08/95/573700895.db2.gz QGXOTNRPYNJLNR-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C/C=C\C1CC1 393646497 573699676 /nfs/dbraw/zinc/69/96/76/573699676.db2.gz WFURSYKGWYHRAD-UVWWULRDSA-N 2 1 194.322 1.764 10 0 ADAEMP C[NH2+]C[C@@H]1C[N@H+](C(C)C)CCC1(C)C 259166049 573699947 /nfs/dbraw/zinc/69/99/47/573699947.db2.gz GIQBZLUSDIZYNG-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC 308425504 573699963 /nfs/dbraw/zinc/69/99/63/573699963.db2.gz QXUDXIGTECZJJI-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC(=[NH2+])N1C[C@H]2CCC[N@H+]2C[C@@H]1C 86933459 573700307 /nfs/dbraw/zinc/70/03/07/573700307.db2.gz YUNVTLFSYJFTJR-VHSXEESVSA-N 2 1 195.310 1.542 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CCC1CC1)C1CC1 308684036 573700456 /nfs/dbraw/zinc/70/04/56/573700456.db2.gz YPOVSEMJLSYHNK-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CCC1CC1)C1CC1 308684036 573700462 /nfs/dbraw/zinc/70/04/62/573700462.db2.gz YPOVSEMJLSYHNK-LBPRGKRZSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCc1c[nH]c(C[C@H](C)C[NH3+])[nH+]1 259166716 573700466 /nfs/dbraw/zinc/70/04/66/573700466.db2.gz UXIGISFCZXEEMV-QMMMGPOBSA-N 2 1 181.283 1.500 10 0 ADAEMP C[C@H]1CCN(CCC2CC2)CC[NH2+]1 83912307 573700504 /nfs/dbraw/zinc/70/05/04/573700504.db2.gz WMOVLYWAIUEAQW-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP c1cc2c(s1)[C@H](C1C[NH2+]C1)[NH2+]CC2 716771477 573700573 /nfs/dbraw/zinc/70/05/73/573700573.db2.gz SOIJIXLHVKLZIF-VIFPVBQESA-N 2 1 194.303 1.154 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C2(C[NH3+])CC2)C1 235639587 573700612 /nfs/dbraw/zinc/70/06/12/573700612.db2.gz URCBDZCGBHQQIK-DTWKUNHWSA-N 2 1 168.284 1.256 10 0 ADAEMP C1C[C@@H]2C[N@H+](CC[NH2+]C3CC3)C[C@@H]2C1 126852679 573700656 /nfs/dbraw/zinc/70/06/56/573700656.db2.gz ZUAXULCKGUHGGB-PHIMTYICSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+]CC[C@@H](C)[NH2+]Cc1ccc(C)o1 323215512 573700973 /nfs/dbraw/zinc/70/09/73/573700973.db2.gz KCGFAIXKGQPVMG-SECBINFHSA-N 2 1 196.294 1.676 10 0 ADAEMP CCC(=[NH2+])N1CC[N@H+]2CCC[C@@H]2C1 86933470 573700985 /nfs/dbraw/zinc/70/09/85/573700985.db2.gz QBFKKNVGRGMGEY-SECBINFHSA-N 2 1 181.283 1.154 10 0 ADAEMP c1cc2c(s1)[C@@H](C1C[NH2+]C1)[NH2+]CC2 716771475 573701044 /nfs/dbraw/zinc/70/10/44/573701044.db2.gz SOIJIXLHVKLZIF-SECBINFHSA-N 2 1 194.303 1.154 10 0 ADAEMP C[NH2+]C[C@H]1C[N@H+](C(C)C)CCC1(C)C 259166052 573701137 /nfs/dbraw/zinc/70/11/37/573701137.db2.gz GIQBZLUSDIZYNG-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C(=[NH2+])N1CC[N@@H+]2CCC[C@@H]2C1 86933471 573701197 /nfs/dbraw/zinc/70/11/97/573701197.db2.gz TVNQSYXXNNPZTR-SNVBAGLBSA-N 2 1 195.310 1.400 10 0 ADAEMP CC(C)C(=[NH2+])N1CC[N@H+]2CCC[C@@H]2C1 86933471 573701199 /nfs/dbraw/zinc/70/11/99/573701199.db2.gz TVNQSYXXNNPZTR-SNVBAGLBSA-N 2 1 195.310 1.400 10 0 ADAEMP CC[N@H+]1CCC=C(C[C@@H](C)[NH2+]C)C1 258088771 573701503 /nfs/dbraw/zinc/70/15/03/573701503.db2.gz NHKCUFIBHJYJCF-SNVBAGLBSA-N 2 1 182.311 1.636 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@H]2CC[C@H]2C)CCC1 393552782 573701459 /nfs/dbraw/zinc/70/14/59/573701459.db2.gz FESNCZFSWUFWGO-ZJUUUORDSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C/C=C\C1CC1 393646496 573701603 /nfs/dbraw/zinc/70/16/03/573701603.db2.gz WFURSYKGWYHRAD-IRSQKABVSA-N 2 1 194.322 1.764 10 0 ADAEMP CCC[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC 308425503 573701681 /nfs/dbraw/zinc/70/16/81/573701681.db2.gz QXUDXIGTECZJJI-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCC(=[NH2+])N1CC[N@H+]2CCC[C@@H]2C1 86933469 573701935 /nfs/dbraw/zinc/70/19/35/573701935.db2.gz ZXHBWSWDYMPLIP-SNVBAGLBSA-N 2 1 195.310 1.544 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@H]2CC[C@@H]2C)CCC1 393552777 573702166 /nfs/dbraw/zinc/70/21/66/573702166.db2.gz FESNCZFSWUFWGO-UWVGGRQHSA-N 2 1 182.311 1.517 10 0 ADAEMP C1C[NH2+]C23[NH2+]CCC[C@H]2CCC[C@@H]3C1 238013809 573703174 /nfs/dbraw/zinc/70/31/74/573703174.db2.gz XROGBHJLPYBTIS-XFKKCKKNSA-N 2 1 194.322 1.866 10 0 ADAEMP CC[N@H+]1CCC=C(C[C@H](C)[NH2+]C)C1 258088768 573703514 /nfs/dbraw/zinc/70/35/14/573703514.db2.gz NHKCUFIBHJYJCF-JTQLQIEISA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)[NH2+]CCC[NH2+]CC(C)(C)F 393552720 573703519 /nfs/dbraw/zinc/70/35/19/573703519.db2.gz DZSXLWHXZXNDJB-UHFFFAOYSA-N 2 1 190.306 1.712 10 0 ADAEMP C[NH2+]Cc1cnc([C@H]2CCC[N@@H+]2C)o1 258099575 573703258 /nfs/dbraw/zinc/70/32/58/573703258.db2.gz NJZNBDQTPJGYED-SECBINFHSA-N 2 1 195.266 1.161 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@@H]2CC[C@@H]2C)CCC1 393552780 573703260 /nfs/dbraw/zinc/70/32/60/573703260.db2.gz FESNCZFSWUFWGO-VHSXEESVSA-N 2 1 182.311 1.517 10 0 ADAEMP C[NH2+]Cc1cnc([C@H]2CCC[N@H+]2C)o1 258099575 573703264 /nfs/dbraw/zinc/70/32/64/573703264.db2.gz NJZNBDQTPJGYED-SECBINFHSA-N 2 1 195.266 1.161 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CS[C@@H](C)C1 86936787 573704495 /nfs/dbraw/zinc/70/44/95/573704495.db2.gz FRRPZQOZTWOTFM-IUCAKERBSA-N 2 1 188.340 1.207 10 0 ADAEMP Cc1[nH]c(CC2C[NH2+]C2)[nH+]c1C(C)C 257849683 573704717 /nfs/dbraw/zinc/70/47/17/573704717.db2.gz OLIBDFLYZKPXLQ-UHFFFAOYSA-N 2 1 193.294 1.603 10 0 ADAEMP Cc1[nH+]c(CC2C[NH2+]C2)[nH]c1C(C)C 257849683 573704724 /nfs/dbraw/zinc/70/47/24/573704724.db2.gz OLIBDFLYZKPXLQ-UHFFFAOYSA-N 2 1 193.294 1.603 10 0 ADAEMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccoc1 130766874 573704934 /nfs/dbraw/zinc/70/49/34/573704934.db2.gz IEKYFVXDYWYHTL-SECBINFHSA-N 2 1 182.267 1.225 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1[NH3+] 83935388 573704969 /nfs/dbraw/zinc/70/49/69/573704969.db2.gz AHDYAOJKFLGVHO-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@]1(C[NH2+]Cc2ccoc2)CC[NH2+]C1 130772115 573704973 /nfs/dbraw/zinc/70/49/73/573704973.db2.gz ZEMKWBVKIXRLEZ-NSHDSACASA-N 2 1 194.278 1.369 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1[NH3+] 83935384 573705341 /nfs/dbraw/zinc/70/53/41/573705341.db2.gz AHDYAOJKFLGVHO-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@]1(C[NH2+]Cc2ccoc2)CC[NH2+]C1 130772321 573705449 /nfs/dbraw/zinc/70/54/49/573705449.db2.gz ZEMKWBVKIXRLEZ-LLVKDONJSA-N 2 1 194.278 1.369 10 0 ADAEMP C[C@H](N)[C@H]1CCCC[N@H+]1CCC1CC1 83926008 573705461 /nfs/dbraw/zinc/70/54/61/573705461.db2.gz TZKIETLPCPNMIO-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP c1cc(C[NH2+]CC[C@@H]2CCC[NH2+]2)co1 130771737 573705509 /nfs/dbraw/zinc/70/55/09/573705509.db2.gz WEAQROLQXMTYHP-NSHDSACASA-N 2 1 194.278 1.511 10 0 ADAEMP CC[C@H]1CCC[N@H+]([C@H](C)CC(N)=[NH2+])C1 202035635 573705660 /nfs/dbraw/zinc/70/56/60/573705660.db2.gz LDKCBCBXSQZZBQ-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP CCC[C@@H](C[NH2+]C)[N@H+](CC)C1CC1 213234472 573707407 /nfs/dbraw/zinc/70/74/07/573707407.db2.gz GBLCAYXSGQEYBJ-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[NH2+]C)[N@@H+](CC)C1CC1 213234472 573707411 /nfs/dbraw/zinc/70/74/11/573707411.db2.gz GBLCAYXSGQEYBJ-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CS[C@H](C)C1 86936788 573707527 /nfs/dbraw/zinc/70/75/27/573707527.db2.gz FRRPZQOZTWOTFM-RKDXNWHRSA-N 2 1 188.340 1.207 10 0 ADAEMP C[C@@H]1SCCC[C@@]1(C[NH3+])[NH+](C)C 86946007 573708363 /nfs/dbraw/zinc/70/83/63/573708363.db2.gz BHWQCRYRRANKGO-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1SCCC[C@]1(C[NH3+])[NH+](C)C 86946003 573708542 /nfs/dbraw/zinc/70/85/42/573708542.db2.gz BHWQCRYRRANKGO-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H]1CC[C@@H](C)C1 122199391 573708744 /nfs/dbraw/zinc/70/87/44/573708744.db2.gz XRSFBUAVWMQRKO-RHYQMDGZSA-N 2 1 196.338 1.987 10 0 ADAEMP CCOc1cc[nH+]cc1CCC[NH2+]C 308691485 573708792 /nfs/dbraw/zinc/70/87/92/573708792.db2.gz RPZKVFPBROZANN-UHFFFAOYSA-N 2 1 194.278 1.632 10 0 ADAEMP C[C@H]1SCCC[C@@]1(C[NH3+])[NH+](C)C 86946005 573708860 /nfs/dbraw/zinc/70/88/60/573708860.db2.gz BHWQCRYRRANKGO-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CC[C@@H]1[NH2+]CC[NH2+]C(C)(C)C 393554873 573708971 /nfs/dbraw/zinc/70/89/71/573708971.db2.gz NZPXJVIXOXQTBU-UWVGGRQHSA-N 2 1 184.327 1.763 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCS[C@@H]1C 86946237 573709060 /nfs/dbraw/zinc/70/90/60/573709060.db2.gz OURLWENXHAHDKQ-RKDXNWHRSA-N 2 1 188.340 1.209 10 0 ADAEMP CC[NH2+]C[C@H](C)C[NH2+]Cc1ccoc1 130797154 573709148 /nfs/dbraw/zinc/70/91/48/573709148.db2.gz NKTGDPXFDFBEJY-JTQLQIEISA-N 2 1 196.294 1.615 10 0 ADAEMP C1C[NH+]([C@@H]2CC[C@@H]2C[NH2+]C2CC2)C1 393553654 573709261 /nfs/dbraw/zinc/70/92/61/573709261.db2.gz YBLXPSXQBWNPNA-MWLCHTKSSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H](CCCC[NH3+])[NH2+]N1CCCCC1 308690638 573709542 /nfs/dbraw/zinc/70/95/42/573709542.db2.gz RIOLCGMDUIJKBZ-LLVKDONJSA-N 2 1 199.342 1.494 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[NH2+]Cc1ccoc1 130786175 573709586 /nfs/dbraw/zinc/70/95/86/573709586.db2.gz FCYDGAKSPGXUJE-GXSJLCMTSA-N 2 1 194.278 1.367 10 0 ADAEMP CC[NH2+]C[C@@H](C)C[NH2+]Cc1ccoc1 130796987 573709637 /nfs/dbraw/zinc/70/96/37/573709637.db2.gz NKTGDPXFDFBEJY-SNVBAGLBSA-N 2 1 196.294 1.615 10 0 ADAEMP C1C[NH+]([C@H]2CC[C@H]2C[NH2+]C2CC2)C1 393553657 573709749 /nfs/dbraw/zinc/70/97/49/573709749.db2.gz YBLXPSXQBWNPNA-ONGXEEELSA-N 2 1 180.295 1.223 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]CC1CC=CC1 393553652 573709921 /nfs/dbraw/zinc/70/99/21/573709921.db2.gz HNOBULBTYFFNCX-LLVKDONJSA-N 2 1 182.311 1.670 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+]CC[NH2+]C(C)(C)C 393554876 573709933 /nfs/dbraw/zinc/70/99/33/573709933.db2.gz NZPXJVIXOXQTBU-ZJUUUORDSA-N 2 1 184.327 1.763 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCS[C@@H]1C 86946235 573710017 /nfs/dbraw/zinc/71/00/17/573710017.db2.gz OURLWENXHAHDKQ-BDAKNGLRSA-N 2 1 188.340 1.209 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@H+](C)Cc1cc[nH]c1 258889190 573710224 /nfs/dbraw/zinc/71/02/24/573710224.db2.gz QYNPNJVVUMKSMY-LLVKDONJSA-N 2 1 195.310 1.430 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@@H+](C)Cc1cc[nH]c1 258889190 573710229 /nfs/dbraw/zinc/71/02/29/573710229.db2.gz QYNPNJVVUMKSMY-LLVKDONJSA-N 2 1 195.310 1.430 10 0 ADAEMP C[C@H]1SCCC[C@]1(C[NH3+])[NH+](C)C 86946000 573710356 /nfs/dbraw/zinc/71/03/56/573710356.db2.gz BHWQCRYRRANKGO-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[NH2+]Cc1ccoc1 130785749 573710569 /nfs/dbraw/zinc/71/05/69/573710569.db2.gz FCYDGAKSPGXUJE-ONGXEEELSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[NH2+]Cc1ccoc1 130785939 573712314 /nfs/dbraw/zinc/71/23/14/573712314.db2.gz FCYDGAKSPGXUJE-MWLCHTKSSA-N 2 1 194.278 1.367 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCS[C@H]1C 86946239 573712461 /nfs/dbraw/zinc/71/24/61/573712461.db2.gz OURLWENXHAHDKQ-IUCAKERBSA-N 2 1 188.340 1.209 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@H+](C)CCCF 716772775 573715626 /nfs/dbraw/zinc/71/56/26/573715626.db2.gz LVNLCQRXZVUGML-SECBINFHSA-N 2 1 176.279 1.405 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)CCCF 716772775 573715631 /nfs/dbraw/zinc/71/56/31/573715631.db2.gz LVNLCQRXZVUGML-SECBINFHSA-N 2 1 176.279 1.405 10 0 ADAEMP Cc1ccc([C@]2(C[NH3+])CCC[NH2+]2)cc1 258098562 573715720 /nfs/dbraw/zinc/71/57/20/573715720.db2.gz IXKJZGOSONUNJL-GFCCVEGCSA-N 2 1 190.290 1.532 10 0 ADAEMP C[C@H]1SCCC[C@@H]1[N@H+](C)CC[NH3+] 86947390 573715891 /nfs/dbraw/zinc/71/58/91/573715891.db2.gz KGFGPEPSPGVQFU-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@@H](CC[NH3+])C1 259172797 573715887 /nfs/dbraw/zinc/71/58/87/573715887.db2.gz GWPXOVYCIVGSEG-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1SCCC[C@@H]1[N@@H+](C)CC[NH3+] 86947390 573715896 /nfs/dbraw/zinc/71/58/96/573715896.db2.gz KGFGPEPSPGVQFU-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccoc1 130801538 573716019 /nfs/dbraw/zinc/71/60/19/573716019.db2.gz BGAMZNQSVROWIR-MWLCHTKSSA-N 2 1 194.278 1.225 10 0 ADAEMP CC(C)[C@@]1([C@H]2CCC[N@H+]2C)CCC[NH2+]1 258097752 573716517 /nfs/dbraw/zinc/71/65/17/573716517.db2.gz GWYSTXMKVWTWSU-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)CCCC[NH3+] 393555725 573716697 /nfs/dbraw/zinc/71/66/97/573716697.db2.gz RHUACTIHKXQUGX-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1SCCC[C@@H]1[N@H+](C)CC[NH3+] 86947393 573716850 /nfs/dbraw/zinc/71/68/50/573716850.db2.gz KGFGPEPSPGVQFU-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1SCCC[C@@H]1[N@@H+](C)CC[NH3+] 86947393 573716856 /nfs/dbraw/zinc/71/68/56/573716856.db2.gz KGFGPEPSPGVQFU-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP Cc1ccc([C@@]2(C[NH3+])CCC[NH2+]2)cc1 258098567 573716960 /nfs/dbraw/zinc/71/69/60/573716960.db2.gz IXKJZGOSONUNJL-LBPRGKRZSA-N 2 1 190.290 1.532 10 0 ADAEMP C[C@H]1SCCC[C@H]1[N@H+](C)CC[NH3+] 86947387 573717073 /nfs/dbraw/zinc/71/70/73/573717073.db2.gz KGFGPEPSPGVQFU-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1SCCC[C@H]1[N@@H+](C)CC[NH3+] 86947387 573717075 /nfs/dbraw/zinc/71/70/75/573717075.db2.gz KGFGPEPSPGVQFU-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccoc1 130801759 573717092 /nfs/dbraw/zinc/71/70/92/573717092.db2.gz BGAMZNQSVROWIR-GXSJLCMTSA-N 2 1 194.278 1.225 10 0 ADAEMP CC(C)[C@]1([C@H]2CCC[N@H+]2C)CCC[NH2+]1 258097736 573717844 /nfs/dbraw/zinc/71/78/44/573717844.db2.gz GWYSTXMKVWTWSU-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1SCCC[C@H]1[N@H+](C)CC[NH3+] 86947389 573718590 /nfs/dbraw/zinc/71/85/90/573718590.db2.gz KGFGPEPSPGVQFU-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1SCCC[C@H]1[N@@H+](C)CC[NH3+] 86947389 573718594 /nfs/dbraw/zinc/71/85/94/573718594.db2.gz KGFGPEPSPGVQFU-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CC[C@@H]2CCC[C@H]21 393555808 573718545 /nfs/dbraw/zinc/71/85/45/573718545.db2.gz LSTHUCFOWMRSHU-SDDRHHMPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccoc1 130802216 573718650 /nfs/dbraw/zinc/71/86/50/573718650.db2.gz BGAMZNQSVROWIR-ONGXEEELSA-N 2 1 194.278 1.225 10 0 ADAEMP C[C@H]1NCC[C@@H]2CCCC[N@H+]21 238494820 573718656 /nfs/dbraw/zinc/71/86/56/573718656.db2.gz CALBXQZBTPPTRJ-IUCAKERBSA-N 2 1 154.257 1.180 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]2CCCCN21 238494820 573718661 /nfs/dbraw/zinc/71/86/61/573718661.db2.gz CALBXQZBTPPTRJ-IUCAKERBSA-N 2 1 154.257 1.180 10 0 ADAEMP CC1(C)CCSC[C@@H]1[NH2+]CC[NH3+] 86970630 573719885 /nfs/dbraw/zinc/71/98/85/573719885.db2.gz QEIQHHDARVDJIQ-QMMMGPOBSA-N 2 1 188.340 1.066 10 0 ADAEMP C[C@H]1NCC[C@H]2CCCC[N@@H+]12 238494902 573720173 /nfs/dbraw/zinc/72/01/73/573720173.db2.gz CALBXQZBTPPTRJ-DTWKUNHWSA-N 2 1 154.257 1.180 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]2CCCCN12 238494902 573720177 /nfs/dbraw/zinc/72/01/77/573720177.db2.gz CALBXQZBTPPTRJ-DTWKUNHWSA-N 2 1 154.257 1.180 10 0 ADAEMP CC[N@@H+]1CC=C(C[C@@H](C)[NH2+]C)CC1 258104679 573720246 /nfs/dbraw/zinc/72/02/46/573720246.db2.gz OFKMPEUJKCOBOA-SNVBAGLBSA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@H]([NH3+])CCC[N@H+]1CC[C@H]2CCC[C@@H]21 393555814 573720307 /nfs/dbraw/zinc/72/03/07/573720307.db2.gz LSTHUCFOWMRSHU-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CSCCC1(C)C 86971966 573721760 /nfs/dbraw/zinc/72/17/60/573721760.db2.gz RYLCMSLEUJTGKC-SECBINFHSA-N 2 1 188.340 1.066 10 0 ADAEMP CC[C@H]1C[N@@H+](CC(C)C)CC[C@@H]1C[NH3+] 122322877 573721620 /nfs/dbraw/zinc/72/16/20/573721620.db2.gz QBFMFNBVCSQXAY-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CSCC(C)(C)C1 86976759 573723211 /nfs/dbraw/zinc/72/32/11/573723211.db2.gz GMBKURZPOYYLBV-SECBINFHSA-N 2 1 188.340 1.066 10 0 ADAEMP CC1(C)CCSC[C@H]1[NH2+]CC[NH3+] 86970633 573721784 /nfs/dbraw/zinc/72/17/84/573721784.db2.gz QEIQHHDARVDJIQ-MRVPVSSYSA-N 2 1 188.340 1.066 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@H]1CC[N@@H+](C)C1 308680960 573722029 /nfs/dbraw/zinc/72/20/29/573722029.db2.gz XOXQQVYJSDHJCV-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H]2CCCCC[C@H]21 687965348 573723245 /nfs/dbraw/zinc/72/32/45/573723245.db2.gz OYTQPCOQDXIHJU-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1C[C@@H]2CCCCC[C@H]21 687965348 573723250 /nfs/dbraw/zinc/72/32/50/573723250.db2.gz OYTQPCOQDXIHJU-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@@H]1C[NH2+]CC[C@@H]1CC[N@@H+](C)C1 308680961 573722647 /nfs/dbraw/zinc/72/26/47/573722647.db2.gz XOXQQVYJSDHJCV-IJLUTSLNSA-N 2 1 196.338 1.574 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@H]([NH3+])CC(F)F 393555305 573722738 /nfs/dbraw/zinc/72/27/38/573722738.db2.gz LSVLHTWXVCOKBA-RQJHMYQMSA-N 2 1 192.253 1.357 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1C[C@H]2CCCCC[C@H]21 687965330 573722780 /nfs/dbraw/zinc/72/27/80/573722780.db2.gz OYTQPCOQDXIHJU-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1C[C@H]2CCCCC[C@H]21 687965330 573722784 /nfs/dbraw/zinc/72/27/84/573722784.db2.gz OYTQPCOQDXIHJU-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC1(C)C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1(C)C 690228455 573723193 /nfs/dbraw/zinc/72/31/93/573723193.db2.gz NVNCSIPOCGLMJJ-AOOOYVTPSA-N 2 1 196.338 1.844 10 0 ADAEMP CC1(C)C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1(C)C 690228456 573723096 /nfs/dbraw/zinc/72/30/96/573723096.db2.gz NVNCSIPOCGLMJJ-MGCOHNPYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH2+]C[C@]1(C2CC2)CCC[N@H+]1C 258892248 573725851 /nfs/dbraw/zinc/72/58/51/573725851.db2.gz YONTVFVBOQPDNH-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@H](C)[N@@H+]1C[C@@H]2CCCCC[C@@H]21 687965350 573724267 /nfs/dbraw/zinc/72/42/67/573724267.db2.gz OYTQPCOQDXIHJU-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1C[C@@H]2CCCCC[C@@H]21 687965350 573724275 /nfs/dbraw/zinc/72/42/75/573724275.db2.gz OYTQPCOQDXIHJU-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CSCCC1(C)C 86971971 573724277 /nfs/dbraw/zinc/72/42/77/573724277.db2.gz RYLCMSLEUJTGKC-VIFPVBQESA-N 2 1 188.340 1.066 10 0 ADAEMP CC[N@@H+]1CC=C(C[C@H](C)[NH2+]C)CC1 258104676 573724467 /nfs/dbraw/zinc/72/44/67/573724467.db2.gz OFKMPEUJKCOBOA-JTQLQIEISA-N 2 1 182.311 1.636 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@@H]([NH3+])CC(F)F 393555302 573724480 /nfs/dbraw/zinc/72/44/80/573724480.db2.gz LSVLHTWXVCOKBA-NKWVEPMBSA-N 2 1 192.253 1.357 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 108283772 573724510 /nfs/dbraw/zinc/72/45/10/573724510.db2.gz VGMVJDCEYLOSHB-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 108283772 573724516 /nfs/dbraw/zinc/72/45/16/573724516.db2.gz VGMVJDCEYLOSHB-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@H]([NH3+])CC(F)F 393555303 573725776 /nfs/dbraw/zinc/72/57/76/573725776.db2.gz LSVLHTWXVCOKBA-RNFRBKRXSA-N 2 1 192.253 1.357 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]CC(C1CC1)C1CC1 83968609 573726026 /nfs/dbraw/zinc/72/60/26/573726026.db2.gz JPWMAAGKSBCNBO-NSHDSACASA-N 2 1 196.338 1.750 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@]2(C)CCC[NH2+]2)C1 258109046 573726406 /nfs/dbraw/zinc/72/64/06/573726406.db2.gz HNSRCBNWFJHSBG-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H]1CC[N@@H+]([C@@H](C)C[NH3+])C1 108283775 573726518 /nfs/dbraw/zinc/72/65/18/573726518.db2.gz VGMVJDCEYLOSHB-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@@H](C)C[NH3+])C1 108283775 573726523 /nfs/dbraw/zinc/72/65/23/573726523.db2.gz VGMVJDCEYLOSHB-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CC1([NH3+])CC1 258108152 573726533 /nfs/dbraw/zinc/72/65/33/573726533.db2.gz SLKJUHBQMSSWRY-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@H+]1CC[C@H]([C@]2(C)CCCC[NH2+]2)C1 258109174 573726893 /nfs/dbraw/zinc/72/68/93/573726893.db2.gz HPFULRNUYOGFHZ-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCC[C@H]1CC1([NH3+])CC1 258108154 573726962 /nfs/dbraw/zinc/72/69/62/573726962.db2.gz SLKJUHBQMSSWRY-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CCCCC[NH2+]C(C)(C)C[NH3+] 258892545 573727091 /nfs/dbraw/zinc/72/70/91/573727091.db2.gz FSFSKNBJZJQCCJ-UHFFFAOYSA-N 2 1 158.289 1.504 10 0 ADAEMP CC[C@@H](C1C[NH2+]C1)[N@@H+](C)C1CC1 716125600 573727273 /nfs/dbraw/zinc/72/72/73/573727273.db2.gz RLOOMCQMHDNDHY-JTQLQIEISA-N 2 1 168.284 1.079 10 0 ADAEMP CC[N@H+]1CCC[C@H]1/C=C\C[NH2+]C 258109182 573727569 /nfs/dbraw/zinc/72/75/69/573727569.db2.gz HPOBGGCXDAWSLV-AYYIZTPMSA-N 2 1 168.284 1.246 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@]2(C)CCC[NH2+]2)C1 258109043 573727609 /nfs/dbraw/zinc/72/76/09/573727609.db2.gz HNSRCBNWFJHSBG-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@]2(C)CCCC[NH2+]2)C1 258109171 573728744 /nfs/dbraw/zinc/72/87/44/573728744.db2.gz HPFULRNUYOGFHZ-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@]2(C)CCCC[NH2+]2)C1 258109177 573728798 /nfs/dbraw/zinc/72/87/98/573728798.db2.gz HPFULRNUYOGFHZ-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1/C=C\C[NH2+]C 258109185 573728905 /nfs/dbraw/zinc/72/89/05/573728905.db2.gz HPOBGGCXDAWSLV-OAQKJQOQSA-N 2 1 168.284 1.246 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)CCC1CC1 308426509 573728956 /nfs/dbraw/zinc/72/89/56/573728956.db2.gz XGRQQFFZKSWLEA-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)CCC1CC1 308426508 573730091 /nfs/dbraw/zinc/73/00/91/573730091.db2.gz XGRQQFFZKSWLEA-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@]1([C@H]2CC[N@@H+](C)C2)CCCC[NH2+]1 258111813 573732756 /nfs/dbraw/zinc/73/27/56/573732756.db2.gz HUSXQKGLLAXNSY-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC[C@@H](C)[NH3+])C1 108289054 573733213 /nfs/dbraw/zinc/73/32/13/573733213.db2.gz YIXMEQNALFUKEU-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CCC[C@@H](C2([NH3+])CC(C)(C)C2)C1 258109719 573733387 /nfs/dbraw/zinc/73/33/87/573733387.db2.gz OPMNGXJLEYBRRZ-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1C[N@H+](C2CCC2)CC[C@@H]1[NH3+] 122395164 573733426 /nfs/dbraw/zinc/73/34/26/573733426.db2.gz VKXMIEZYHHLBMU-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@]1([C@@H]2CC[N@@H+](C)C2)CCCC[NH2+]1 258111822 573733998 /nfs/dbraw/zinc/73/39/98/573733998.db2.gz HUSXQKGLLAXNSY-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@H](C2([NH3+])CC(C)(C)C2)C1 258109714 573734306 /nfs/dbraw/zinc/73/43/06/573734306.db2.gz OPMNGXJLEYBRRZ-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@]1([C@@H]2CC[N@@H+](C)C2)CCCC[NH2+]1 258111810 573734409 /nfs/dbraw/zinc/73/44/09/573734409.db2.gz HUSXQKGLLAXNSY-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CNC(C)(C)C[N@@H+]1[C@@H](C)CC[C@H]1C 642833910 573734549 /nfs/dbraw/zinc/73/45/49/573734549.db2.gz GVBWGWPEDVQAOK-AOOOYVTPSA-N 2 1 184.327 1.857 10 0 ADAEMP CNC(C)(C)C[N@H+]1[C@@H](C)CC[C@H]1C 642833910 573734553 /nfs/dbraw/zinc/73/45/53/573734553.db2.gz GVBWGWPEDVQAOK-AOOOYVTPSA-N 2 1 184.327 1.857 10 0 ADAEMP C1CC[C@H](CC[NH+]2CCC2)[NH2+]C1 108287580 573734604 /nfs/dbraw/zinc/73/46/04/573734604.db2.gz YJAVCFDVUSSTRY-SNVBAGLBSA-N 2 1 168.284 1.224 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)CCC1CC1 308430168 573734638 /nfs/dbraw/zinc/73/46/38/573734638.db2.gz ZLFYHFVIUCVCBD-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)[C@H]1CC[N@H+](CC[NH3+])C1 108289067 573734748 /nfs/dbraw/zinc/73/47/48/573734748.db2.gz BWYCGVLJVJNDGY-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)(C)[C@H]1CC[N@@H+](CC[NH3+])C1 108289067 573734752 /nfs/dbraw/zinc/73/47/52/573734752.db2.gz BWYCGVLJVJNDGY-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)(C)[C@@H]1CC[N@H+](CC[NH3+])C1 108289063 573734887 /nfs/dbraw/zinc/73/48/87/573734887.db2.gz BWYCGVLJVJNDGY-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)C1C[NH+](CC(C)(C)[NH3+])C1 108289099 573735935 /nfs/dbraw/zinc/73/59/35/573735935.db2.gz PUFZSZJHDVGHMN-UHFFFAOYSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CCC[NH2+]C[C@@H]1CC1CC1 108287281 573736780 /nfs/dbraw/zinc/73/67/80/573736780.db2.gz XAHKCSYFOUOKSO-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@](C)([NH3+])C[N@@H+](C)CCC1CC1 308430167 573736801 /nfs/dbraw/zinc/73/68/01/573736801.db2.gz ZLFYHFVIUCVCBD-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](CC[NH3+])C[C@H]1CCC[N@@H+](C)C1 259173726 573736850 /nfs/dbraw/zinc/73/68/50/573736850.db2.gz PWCTUFHXFFSSFD-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@@H+](CCC1CCC1)C[C@H]1C[C@H]1C[NH3+] 715175115 573737471 /nfs/dbraw/zinc/73/74/71/573737471.db2.gz YYPCVCSMORFTHF-NWDGAFQWSA-N 2 1 196.338 1.703 10 0 ADAEMP NC[C@@H]([NH3+])c1cccc(C2CC2)c1 87012079 573737497 /nfs/dbraw/zinc/73/74/97/573737497.db2.gz XQAJKRNDWNDSMH-LLVKDONJSA-N 2 1 176.263 1.523 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 108295266 573737970 /nfs/dbraw/zinc/73/79/70/573737970.db2.gz OHZASZBRXPBKGI-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC1(C)C[NH+](CC[C@H]2CCC[NH2+]2)C1 108295308 573737992 /nfs/dbraw/zinc/73/79/92/573737992.db2.gz BSHNVJZYCRBMNR-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[NH2+][C@@]1(C)CCCC[C@H]1C 308696375 573738018 /nfs/dbraw/zinc/73/80/18/573738018.db2.gz MTDRLKQSFFBNDK-MNOVXSKESA-N 2 1 184.327 1.764 10 0 ADAEMP CC1(C)C[NH+](CC[C@@H]2CCC[NH2+]2)C1 108295306 573741020 /nfs/dbraw/zinc/74/10/20/573741020.db2.gz BSHNVJZYCRBMNR-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP NC[C@@H]([NH3+])c1ccc(C2CC2)cc1 87012083 573739786 /nfs/dbraw/zinc/73/97/86/573739786.db2.gz AQDLUHADBINBKY-LLVKDONJSA-N 2 1 176.263 1.523 10 0 ADAEMP C[NH2+]CCCCC[C@H]1CCC[N@H+]1C 238333353 573739795 /nfs/dbraw/zinc/73/97/95/573739795.db2.gz IWSWCYQCRUHLSM-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CC1 126982772 573739871 /nfs/dbraw/zinc/73/98/71/573739871.db2.gz FGOTUGRBCLBGAF-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@@H+](C/C=C/C[NH3+])[C@@H]1CCOC1 308698820 573740221 /nfs/dbraw/zinc/74/02/21/573740221.db2.gz UKQRIPFCAOGHOW-PGLGOXFNSA-N 2 1 198.310 1.002 10 0 ADAEMP C1CC[C@@H]2C[N@H+](CC3C[NH2+]C3)[C@@H]2CC1 687947902 573740266 /nfs/dbraw/zinc/74/02/66/573740266.db2.gz YMNNBWCKRSROKB-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP NC[C@H]([NH3+])c1ccc(C2CC2)cc1 87012085 573740301 /nfs/dbraw/zinc/74/03/01/573740301.db2.gz AQDLUHADBINBKY-NSHDSACASA-N 2 1 176.263 1.523 10 0 ADAEMP Cc1c[nH]c(CCC2([NH3+])CC2)[nH+]1 258420284 573740660 /nfs/dbraw/zinc/74/06/60/573740660.db2.gz BYIFLDXPPNZXJF-UHFFFAOYSA-N 2 1 165.240 1.142 10 0 ADAEMP CCC1(CC)C[NH2+]C[C@@H](C(C)C)N1 108297248 573740836 /nfs/dbraw/zinc/74/08/36/573740836.db2.gz RNBLXIMYBWWCHI-JTQLQIEISA-N 2 1 184.327 1.763 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 108295268 573741082 /nfs/dbraw/zinc/74/10/82/573741082.db2.gz OHZASZBRXPBKGI-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@@H+](C/C=C\C[NH3+])[C@@H]1CCOC1 308698819 573741155 /nfs/dbraw/zinc/74/11/55/573741155.db2.gz UKQRIPFCAOGHOW-DLRQAJBASA-N 2 1 198.310 1.002 10 0 ADAEMP CCC[N@@H+](C/C=C/C[NH3+])[C@H]1CCOC1 308698821 573741241 /nfs/dbraw/zinc/74/12/41/573741241.db2.gz UKQRIPFCAOGHOW-UFFNRZRYSA-N 2 1 198.310 1.002 10 0 ADAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CC1 126982337 573741275 /nfs/dbraw/zinc/74/12/75/573741275.db2.gz FGOTUGRBCLBGAF-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 108295048 573741510 /nfs/dbraw/zinc/74/15/10/573741510.db2.gz LJFHHPIFFJBOBU-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](CN)[N@H+]1CC=C(C)CC1 124992206 573741739 /nfs/dbraw/zinc/74/17/39/573741739.db2.gz QTHHLRNSCZNBGT-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@H](CN)[N@@H+]1CC=C(C)CC1 124992206 573741746 /nfs/dbraw/zinc/74/17/46/573741746.db2.gz QTHHLRNSCZNBGT-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H]1C[NH3+] 258419871 573742397 /nfs/dbraw/zinc/74/23/97/573742397.db2.gz BVAGDTFJQJSHLE-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1CC=C(C)CC1 124992206 573741751 /nfs/dbraw/zinc/74/17/51/573741751.db2.gz QTHHLRNSCZNBGT-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C1([NH3+])CCCC1 258115237 573741758 /nfs/dbraw/zinc/74/17/58/573741758.db2.gz SYGVRWWEFUDZLI-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1CC=C(C)CC1 124992206 573741762 /nfs/dbraw/zinc/74/17/62/573741762.db2.gz QTHHLRNSCZNBGT-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H]1C[NH3+] 258419871 573742400 /nfs/dbraw/zinc/74/24/00/573742400.db2.gz BVAGDTFJQJSHLE-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C1([NH3+])CCCC1 258115239 573741855 /nfs/dbraw/zinc/74/18/55/573741855.db2.gz SYGVRWWEFUDZLI-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H]1C[NH3+] 258419878 573742120 /nfs/dbraw/zinc/74/21/20/573742120.db2.gz BVAGDTFJQJSHLE-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CC[C@@H](C(C)(C)C)[C@H]1C[NH3+] 258419878 573742124 /nfs/dbraw/zinc/74/21/24/573742124.db2.gz BVAGDTFJQJSHLE-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H]1C[NH3+] 258419876 573742156 /nfs/dbraw/zinc/74/21/56/573742156.db2.gz BVAGDTFJQJSHLE-IUCAKERBSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CC[C@H](C(C)(C)C)[C@@H]1C[NH3+] 258419876 573742161 /nfs/dbraw/zinc/74/21/61/573742161.db2.gz BVAGDTFJQJSHLE-IUCAKERBSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C1CC[NH+]([C@@H](C)CN)CC1 108297326 573742179 /nfs/dbraw/zinc/74/21/79/573742179.db2.gz OQEAPEGXYQWWGF-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1CC[NH+]([C@@H](C)C[NH3+])CC1 108297326 573742182 /nfs/dbraw/zinc/74/21/82/573742182.db2.gz OQEAPEGXYQWWGF-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1[C@@H]1C[NH2+][C@H](C)C1 258102440 573742256 /nfs/dbraw/zinc/74/22/56/573742256.db2.gz HCNRFHJJJYKCSV-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C1CC[C@H]2C[N@H+](CC3C[NH2+]C3)[C@@H]2CC1 687947891 573742354 /nfs/dbraw/zinc/74/23/54/573742354.db2.gz YMNNBWCKRSROKB-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP C[N@H+]1CC[C@H](C(C)(C)C)[C@H]1C[NH3+] 258419874 573743317 /nfs/dbraw/zinc/74/33/17/573743317.db2.gz BVAGDTFJQJSHLE-DTWKUNHWSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+]1CC[C@H](C(C)(C)C)[C@H]1C[NH3+] 258419874 573743313 /nfs/dbraw/zinc/74/33/13/573743313.db2.gz BVAGDTFJQJSHLE-DTWKUNHWSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CC1 126982545 573743700 /nfs/dbraw/zinc/74/37/00/573743700.db2.gz FGOTUGRBCLBGAF-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C1CC[C@H]2[C@H](CC1)C[N@@H+]2CC1C[NH2+]C1 687947888 573743433 /nfs/dbraw/zinc/74/34/33/573743433.db2.gz YMNNBWCKRSROKB-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC[C@H]2C[N@H+](CC3C[NH2+]C3)[C@H]2CC1 687947894 573743875 /nfs/dbraw/zinc/74/38/75/573743875.db2.gz YMNNBWCKRSROKB-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+](C2CC[NH2+]CC2)C1 84048188 573747028 /nfs/dbraw/zinc/74/70/28/573747028.db2.gz MAUGBTQKVRSKPM-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CN(CC2CCC2)C1 87041965 573749665 /nfs/dbraw/zinc/74/96/65/573749665.db2.gz OIZCJOHHEXVTNI-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]([NH3+])C(F)(F)[C@@H]1CCC[N@@H+](C)C1 257863064 573746989 /nfs/dbraw/zinc/74/69/89/573746989.db2.gz RIMKUWMKKACZFG-HTQZYQBOSA-N 2 1 192.253 1.311 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CN(CC2CCCC2)C1 87040127 573746763 /nfs/dbraw/zinc/74/67/63/573746763.db2.gz SFYARFIUEMXBQJ-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87042303 573746954 /nfs/dbraw/zinc/74/69/54/573746954.db2.gz QAVMPBIZMYVBAP-QWRGUYRKSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 87042303 573746960 /nfs/dbraw/zinc/74/69/60/573746960.db2.gz QAVMPBIZMYVBAP-QWRGUYRKSA-N 2 1 182.311 1.622 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@H]2CC2(C)C)CCCC1 308704807 573749899 /nfs/dbraw/zinc/74/98/99/573749899.db2.gz WIBRICBTOKEBIK-JTQLQIEISA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1C1CC[NH2+]CC1 84048176 573748704 /nfs/dbraw/zinc/74/87/04/573748704.db2.gz MAUGBTQKVRSKPM-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]([NH3+])C(F)(F)[C@H]1CCC[N@@H+](C)C1 257863066 573748993 /nfs/dbraw/zinc/74/89/93/573748993.db2.gz RIMKUWMKKACZFG-SFYZADRCSA-N 2 1 192.253 1.311 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87042306 573749014 /nfs/dbraw/zinc/74/90/14/573749014.db2.gz QAVMPBIZMYVBAP-GHMZBOCLSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 87042306 573749017 /nfs/dbraw/zinc/74/90/17/573749017.db2.gz QAVMPBIZMYVBAP-GHMZBOCLSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H](C)CC(N)=[NH2+] 84048271 573749040 /nfs/dbraw/zinc/74/90/40/573749040.db2.gz OTIIPIQYEKLQKG-UTLUCORTSA-N 2 1 197.326 1.821 10 0 ADAEMP C[NH2+]C1CCC([N@H+]2CC[C@H](C)C2)CC1 108306748 573749056 /nfs/dbraw/zinc/74/90/56/573749056.db2.gz JEGAYPVDWYZDFH-UNXYVOJBSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH+]ccn1CC1([NH3+])CCC1 238497119 573749202 /nfs/dbraw/zinc/74/92/02/573749202.db2.gz QXDYLUFDBSQOND-UHFFFAOYSA-N 2 1 165.240 1.073 10 0 ADAEMP Cc1[nH+]ccn1CC1=CC[NH2+]CC1 238497145 573749377 /nfs/dbraw/zinc/74/93/77/573749377.db2.gz SMVBDCMOGNSPAL-UHFFFAOYSA-N 2 1 177.251 1.111 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CCC([NH3+])CC2)C1 108306759 573749392 /nfs/dbraw/zinc/74/93/92/573749392.db2.gz QDFUTKNBIOHLQO-UNXYVOJBSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CN(C2CCCC2)C1 87039830 573749414 /nfs/dbraw/zinc/74/94/14/573749414.db2.gz DQSNNGSMWKEATA-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1C[C@H](C)CC[C@H]1C 84045080 573749481 /nfs/dbraw/zinc/74/94/81/573749481.db2.gz JGMWPQGWEFDLMI-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2N)C1 108307102 573749593 /nfs/dbraw/zinc/74/95/93/573749593.db2.gz ZYAHTDADKODJSF-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@H](N)C[N@@H+]([C@@H]2CCC[C@H]2C)C1 87040095 573751573 /nfs/dbraw/zinc/75/15/73/573751573.db2.gz LZZSMWPCXSGSTE-WISYIIOYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC)C1 108307178 573751835 /nfs/dbraw/zinc/75/18/35/573751835.db2.gz FEJQMSWCPDVTCP-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@@H]1C[NH2+]CC2(CCCCC2)N1 108306692 573751894 /nfs/dbraw/zinc/75/18/94/573751894.db2.gz NBXAMJZDWQKQGK-NSHDSACASA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H]1C[C@H](N)C[N@@H+]([C@H]2CCC[C@H]2C)C1 87040091 573751998 /nfs/dbraw/zinc/75/19/98/573751998.db2.gz LZZSMWPCXSGSTE-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CN(C2CCCC2)C1 87039828 573752384 /nfs/dbraw/zinc/75/23/84/573752384.db2.gz DQSNNGSMWKEATA-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 87042307 573752722 /nfs/dbraw/zinc/75/27/22/573752722.db2.gz QAVMPBIZMYVBAP-WDEREUQCSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@@H](C)C[C@@H]([NH3+])C1 87042307 573752724 /nfs/dbraw/zinc/75/27/24/573752724.db2.gz QAVMPBIZMYVBAP-WDEREUQCSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CN(CC2CCCC2)C1 87040130 573752747 /nfs/dbraw/zinc/75/27/47/573752747.db2.gz SFYARFIUEMXBQJ-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1c[nH]c(C2CC([NH3+])C2)[nH+]1 259181488 573752820 /nfs/dbraw/zinc/75/28/20/573752820.db2.gz WDKSAQRMJICJQA-UHFFFAOYSA-N 2 1 165.240 1.177 10 0 ADAEMP CCC(CC)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87039720 573752950 /nfs/dbraw/zinc/75/29/50/573752950.db2.gz GYBCWESIHVVSEG-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]([NH2+]Cc1ccco1)C1C[NH2+]C1 716159295 573758039 /nfs/dbraw/zinc/75/80/39/573758039.db2.gz WYIXKWHJSUDLIN-LLVKDONJSA-N 2 1 194.278 1.367 10 0 ADAEMP CC[C@H]1C[C@H]([NH3+])C[N@@H+]1C(C)C 108331767 573758290 /nfs/dbraw/zinc/75/82/90/573758290.db2.gz ZPEBWNBLIBDJLX-IUCAKERBSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H]1C[C@H]([NH3+])C[N@H+]1C(C)C 108331767 573758297 /nfs/dbraw/zinc/75/82/97/573758297.db2.gz ZPEBWNBLIBDJLX-IUCAKERBSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)(C)[NH+]1CC(C(F)(F)C[NH3+])C1 257867233 573758945 /nfs/dbraw/zinc/75/89/45/573758945.db2.gz SHAXWCHIOWXOFM-UHFFFAOYSA-N 2 1 192.253 1.311 10 0 ADAEMP CC[C@H]([NH2+]Cc1ccco1)C1C[NH2+]C1 716159298 573759188 /nfs/dbraw/zinc/75/91/88/573759188.db2.gz WYIXKWHJSUDLIN-NSHDSACASA-N 2 1 194.278 1.367 10 0 ADAEMP CC[C@@H]1C[C@H]([NH3+])C[N@@H+]1C(C)C 108331765 573759131 /nfs/dbraw/zinc/75/91/31/573759131.db2.gz ZPEBWNBLIBDJLX-DTWKUNHWSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@@H]1C[C@H]([NH3+])C[N@H+]1C(C)C 108331765 573759139 /nfs/dbraw/zinc/75/91/39/573759139.db2.gz ZPEBWNBLIBDJLX-DTWKUNHWSA-N 2 1 156.273 1.206 10 0 ADAEMP C[NH2+]CC[C@](C)(F)[C@@H]1CC[N@@H+](C)C1 257868162 573759278 /nfs/dbraw/zinc/75/92/78/573759278.db2.gz SMVKONUDLOEXOG-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[NH2+]CCC(F)(F)[C@H]1CC[N@@H+](C)C1 257866473 573759309 /nfs/dbraw/zinc/75/93/09/573759309.db2.gz SBDUZLXTXMXGJI-QMMMGPOBSA-N 2 1 192.253 1.183 10 0 ADAEMP Cc1cc(C)c(CC[NH2+]CN)c(C)c1 258914998 573759497 /nfs/dbraw/zinc/75/94/97/573759497.db2.gz PSNISQGBHVPQQD-UHFFFAOYSA-N 2 1 192.306 1.660 10 0 ADAEMP C[NH2+]CC[C@@](C)(F)[C@H]1CC[N@@H+](C)C1 257868160 573759534 /nfs/dbraw/zinc/75/95/34/573759534.db2.gz SMVKONUDLOEXOG-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP CC(C)C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C 108331756 573759719 /nfs/dbraw/zinc/75/97/19/573759719.db2.gz VNQVWIZFWGHHCB-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C[C@@H]1C[C@H]([NH3+])C[N@H+]1C 108331756 573759728 /nfs/dbraw/zinc/75/97/28/573759728.db2.gz VNQVWIZFWGHHCB-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP C1=CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 84066682 573760692 /nfs/dbraw/zinc/76/06/92/573760692.db2.gz HRHDERYBDZJJFR-QWRGUYRKSA-N 2 1 180.295 1.437 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2[C@@H](C)[NH3+] 76089349 573760699 /nfs/dbraw/zinc/76/06/99/573760699.db2.gz RKQPQMYKDODJBV-HTRCEHHLSA-N 2 1 179.267 1.485 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@@H]2[C@@H](C)[NH3+] 76089653 573763520 /nfs/dbraw/zinc/76/35/20/573763520.db2.gz ACJMPOXGYUWYIP-VXNVDRBHSA-N 2 1 193.294 1.496 10 0 ADAEMP CC(C)n1c[nH+]c2c1CC[C@@H](C[NH3+])C2 76088173 573760770 /nfs/dbraw/zinc/76/07/70/573760770.db2.gz VGQDOTBZYNECEA-SECBINFHSA-N 2 1 193.294 1.528 10 0 ADAEMP CC(C)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CC1 108332691 573760855 /nfs/dbraw/zinc/76/08/55/573760855.db2.gz YJYSNKBXMCHOBS-SCZZXKLOSA-N 2 1 168.284 1.206 10 0 ADAEMP C1=CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 84066685 573760866 /nfs/dbraw/zinc/76/08/66/573760866.db2.gz HRHDERYBDZJJFR-MNOVXSKESA-N 2 1 180.295 1.437 10 0 ADAEMP CC(C)[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CC1 108332691 573760867 /nfs/dbraw/zinc/76/08/67/573760867.db2.gz YJYSNKBXMCHOBS-SCZZXKLOSA-N 2 1 168.284 1.206 10 0 ADAEMP C1=CC[C@@H]([N@H+]2CCCNCC2)CC1 84080715 573765787 /nfs/dbraw/zinc/76/57/87/573765787.db2.gz VXFGGHBBWVRENI-LLVKDONJSA-N 2 1 180.295 1.390 10 0 ADAEMP C1=CC[C@H]([N@H+]2CCCNCC2)CC1 84080714 573760941 /nfs/dbraw/zinc/76/09/41/573760941.db2.gz VXFGGHBBWVRENI-NSHDSACASA-N 2 1 180.295 1.390 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C[C@@H]1C 308710206 573760969 /nfs/dbraw/zinc/76/09/69/573760969.db2.gz YGXDDSKIZBFXDF-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+]1CCC(C)(C)[C@@H]([NH3+])C1 258919144 573763532 /nfs/dbraw/zinc/76/35/32/573763532.db2.gz WJCJFCNDUPYDGC-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCCc2c1[nH+]cn2C 76087892 573761051 /nfs/dbraw/zinc/76/10/51/573761051.db2.gz WEAFIHZFPCNXBD-IUCAKERBSA-N 2 1 193.294 1.577 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@@H]2C[NH3+] 76089610 573761060 /nfs/dbraw/zinc/76/10/60/573761060.db2.gz AOUIPYWGXRKRJK-MRVPVSSYSA-N 2 1 179.267 1.107 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@H]2[C@H](C)[NH3+] 76089658 573761087 /nfs/dbraw/zinc/76/10/87/573761087.db2.gz ACJMPOXGYUWYIP-CBAPKCEASA-N 2 1 193.294 1.496 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2CC[NH3+] 76089400 573761183 /nfs/dbraw/zinc/76/11/83/573761183.db2.gz SRSTXNRUHQSESV-MRVPVSSYSA-N 2 1 179.267 1.487 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@@H]([NH3+])C1 258919144 573763546 /nfs/dbraw/zinc/76/35/46/573763546.db2.gz WJCJFCNDUPYDGC-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2CCC[NH3+] 76089442 573761284 /nfs/dbraw/zinc/76/12/84/573761284.db2.gz HZZBEDSYKFAXSL-SECBINFHSA-N 2 1 193.294 1.877 10 0 ADAEMP C[NH2+]C[C@H](C[N@@H+](C)C(C)C)C(C)C 258918555 573761370 /nfs/dbraw/zinc/76/13/70/573761370.db2.gz GNFSYPMIVWWWJN-LLVKDONJSA-N 2 1 186.343 1.818 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCCc2[nH+]cn(C)c21 76087904 573761565 /nfs/dbraw/zinc/76/15/65/573761565.db2.gz YTHKIOQZMIIECC-IUCAKERBSA-N 2 1 193.294 1.577 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@H](CC[NH3+])CCC2 76089734 573761601 /nfs/dbraw/zinc/76/16/01/573761601.db2.gz RZBHFWOTEMKYQE-VIFPVBQESA-N 2 1 193.294 1.497 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2CC[NH3+] 76089403 573761633 /nfs/dbraw/zinc/76/16/33/573761633.db2.gz SRSTXNRUHQSESV-QMMMGPOBSA-N 2 1 179.267 1.487 10 0 ADAEMP CC[N@H+]1CC[C@H](CCC2([NH3+])CCC2)C1 257869934 573761708 /nfs/dbraw/zinc/76/17/08/573761708.db2.gz ABBMACPARGTGGQ-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[N@@H+]1CCC(C)(C)[C@H]([NH3+])C1 258919142 573761747 /nfs/dbraw/zinc/76/17/47/573761747.db2.gz WJCJFCNDUPYDGC-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@H]([NH3+])C1 258919142 573761752 /nfs/dbraw/zinc/76/17/52/573761752.db2.gz WJCJFCNDUPYDGC-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@H]([C@@H](C)[NH3+])CCC2 76089700 573761847 /nfs/dbraw/zinc/76/18/47/573761847.db2.gz FPRYCGXCAASBDY-APPZFPTMSA-N 2 1 193.294 1.496 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC=CCC2)C1 84080295 573763571 /nfs/dbraw/zinc/76/35/71/573763571.db2.gz QRWVHYQGZNHLLP-MNOVXSKESA-N 2 1 180.295 1.389 10 0 ADAEMP CC(C)n1c[nH+]c2c1CC[C@H](C[NH3+])C2 76088170 573761927 /nfs/dbraw/zinc/76/19/27/573761927.db2.gz VGQDOTBZYNECEA-VIFPVBQESA-N 2 1 193.294 1.528 10 0 ADAEMP C[NH2+]C[C@@H](C[N@@H+](C)C(C)C)C(C)C 258918556 573762000 /nfs/dbraw/zinc/76/20/00/573762000.db2.gz GNFSYPMIVWWWJN-NSHDSACASA-N 2 1 186.343 1.818 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CCc2c([nH+]cn2C)C1 76087857 573762018 /nfs/dbraw/zinc/76/20/18/573762018.db2.gz WSTNVBCUXJCHQY-BDAKNGLRSA-N 2 1 193.294 1.120 10 0 ADAEMP C/C=C\[C@H]([NH2+]C)[C@H]1CCC[N@@H+]1C 642835245 573762172 /nfs/dbraw/zinc/76/21/72/573762172.db2.gz ZRQLSWGKFUKQQH-RRAVTNDYSA-N 2 1 168.284 1.245 10 0 ADAEMP C/C=C\[C@H]([NH2+]C)[C@H]1CCC[N@H+]1C 642835245 573762181 /nfs/dbraw/zinc/76/21/81/573762181.db2.gz ZRQLSWGKFUKQQH-RRAVTNDYSA-N 2 1 168.284 1.245 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1C 259184645 573762196 /nfs/dbraw/zinc/76/21/96/573762196.db2.gz BIHZBMBNDXJOGG-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C[NH3+])[C@H]1C 259184649 573762250 /nfs/dbraw/zinc/76/22/50/573762250.db2.gz BIHZBMBNDXJOGG-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP Cc1[nH]c2c([nH+]1)C[C@H]([C@@H](C)[NH3+])CC2 76089366 573762264 /nfs/dbraw/zinc/76/22/64/573762264.db2.gz MDAOWLGZAFDMRH-HTRCEHHLSA-N 2 1 179.267 1.170 10 0 ADAEMP C1=CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 84066683 573762304 /nfs/dbraw/zinc/76/23/04/573762304.db2.gz HRHDERYBDZJJFR-WDEREUQCSA-N 2 1 180.295 1.437 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2CC=CCC2)CC[C@@H]1[NH3+] 84068038 573762418 /nfs/dbraw/zinc/76/24/18/573762418.db2.gz AGKJBGHHGWRMQE-WOPDTQHZSA-N 2 1 194.322 1.764 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CCc2c([nH+]cn2C)C1 76087849 573762447 /nfs/dbraw/zinc/76/24/47/573762447.db2.gz WSTNVBCUXJCHQY-RKDXNWHRSA-N 2 1 193.294 1.120 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCc2c([nH+]cn2C)C1 76087859 573762534 /nfs/dbraw/zinc/76/25/34/573762534.db2.gz QINMIIXLLCQUJI-IUCAKERBSA-N 2 1 193.294 1.262 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CCc2[nH+]cn(C)c2C1 76087842 573762517 /nfs/dbraw/zinc/76/25/17/573762517.db2.gz BKHNBJJGEHASBL-BDAKNGLRSA-N 2 1 193.294 1.120 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@@H]2[C@H](C)[NH3+] 76089656 573762667 /nfs/dbraw/zinc/76/26/67/573762667.db2.gz ACJMPOXGYUWYIP-IONNQARKSA-N 2 1 193.294 1.496 10 0 ADAEMP C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1CC1CC1 108332699 573762686 /nfs/dbraw/zinc/76/26/86/573762686.db2.gz CPFTUTHBIFSJBC-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@@H]([C@@H](C)[NH3+])CCC2 76089702 573762689 /nfs/dbraw/zinc/76/26/89/573762689.db2.gz FPRYCGXCAASBDY-VXNVDRBHSA-N 2 1 193.294 1.496 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 84068045 573762697 /nfs/dbraw/zinc/76/26/97/573762697.db2.gz XMEOGDVNUSPERY-RYUDHWBXSA-N 2 1 194.322 1.779 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@H]2CC=CCC2)C1 84068045 573762703 /nfs/dbraw/zinc/76/27/03/573762703.db2.gz XMEOGDVNUSPERY-RYUDHWBXSA-N 2 1 194.322 1.779 10 0 ADAEMP CC[N@H+]1CC[C@H](/C=C\CC[NH3+])C1 258123278 573762728 /nfs/dbraw/zinc/76/27/28/573762728.db2.gz IOFMEVKSVVFLOE-ATPLWMGHSA-N 2 1 168.284 1.233 10 0 ADAEMP C[N@H+]1C[C@H](C[NH3+])C[C@@H]1CC1CC1 108332697 573762732 /nfs/dbraw/zinc/76/27/32/573762732.db2.gz CPFTUTHBIFSJBC-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C1CCCC1 108332675 573762797 /nfs/dbraw/zinc/76/27/97/573762797.db2.gz ZDSYDNBFDMTEEI-NXEZZACHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1C[C@H]([NH3+])C[C@@H]1C1CCCC1 108332675 573762803 /nfs/dbraw/zinc/76/28/03/573762803.db2.gz ZDSYDNBFDMTEEI-NXEZZACHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)n1c[nH+]c2c1C[C@@H](C[NH3+])CC2 76088186 573762814 /nfs/dbraw/zinc/76/28/14/573762814.db2.gz KYIBNPGXDJAWDU-VIFPVBQESA-N 2 1 193.294 1.528 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CC[C@H](CCC[NH3+])C2 76089445 573763603 /nfs/dbraw/zinc/76/36/03/573763603.db2.gz ZGNKHPHRNHCVRP-VIFPVBQESA-N 2 1 193.294 1.562 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@@H]2[C@H](C)[NH3+] 76089352 573762923 /nfs/dbraw/zinc/76/29/23/573762923.db2.gz RKQPQMYKDODJBV-POYBYMJQSA-N 2 1 179.267 1.485 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@H]2C[NH3+] 76089612 573762949 /nfs/dbraw/zinc/76/29/49/573762949.db2.gz AOUIPYWGXRKRJK-QMMMGPOBSA-N 2 1 179.267 1.107 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C[NH3+])[C@H]1C 259184643 573762994 /nfs/dbraw/zinc/76/29/94/573762994.db2.gz BIHZBMBNDXJOGG-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CC1CCC1 108332674 573763033 /nfs/dbraw/zinc/76/30/33/573763033.db2.gz QHLZRJZLTAOABU-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1C[C@@H]([NH3+])C[C@@H]1CC1CCC1 108332674 573763037 /nfs/dbraw/zinc/76/30/37/573763037.db2.gz QHLZRJZLTAOABU-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H](C1C[NH2+]C1)[N@H+]1CCC1(C)C 642835170 573763048 /nfs/dbraw/zinc/76/30/48/573763048.db2.gz ZUIYBFZBXHBZKU-JTQLQIEISA-N 2 1 182.311 1.469 10 0 ADAEMP C1=CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 84066687 573763078 /nfs/dbraw/zinc/76/30/78/573763078.db2.gz HRHDERYBDZJJFR-GHMZBOCLSA-N 2 1 180.295 1.437 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CCCc2[nH+]cn(C)c21 76087808 573763146 /nfs/dbraw/zinc/76/31/46/573763146.db2.gz JSHWYQBBJYVWJF-BDAKNGLRSA-N 2 1 193.294 1.435 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@H]2CC=CCC2)C1 84080296 573763173 /nfs/dbraw/zinc/76/31/73/573763173.db2.gz QRWVHYQGZNHLLP-QWRGUYRKSA-N 2 1 180.295 1.389 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCc2[nH+]cn(C)c2C1 76087925 573763191 /nfs/dbraw/zinc/76/31/91/573763191.db2.gz IECHWNWSLFFFAJ-DTWKUNHWSA-N 2 1 193.294 1.262 10 0 ADAEMP CC[N@H+](C1CCCC1)[C@H](C)C1C[NH2+]C1 686255233 573763214 /nfs/dbraw/zinc/76/32/14/573763214.db2.gz DLEXOYYLBYHOGQ-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H](C[NH3+])[C@@H]1CCCc2c1[nH+]cn2C 76087881 573763244 /nfs/dbraw/zinc/76/32/44/573763244.db2.gz DLFBAHXCWHOVCY-BDAKNGLRSA-N 2 1 193.294 1.435 10 0 ADAEMP Cc1ccccc1C[NH2+]C(C)(C)C[NH3+] 258918841 573763415 /nfs/dbraw/zinc/76/34/15/573763415.db2.gz UHPVKUMHZIWYGN-UHFFFAOYSA-N 2 1 192.306 1.822 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@@H]2CC[NH3+] 76089787 573763503 /nfs/dbraw/zinc/76/35/03/573763503.db2.gz HPXPPZDQQRESSB-SECBINFHSA-N 2 1 193.294 1.497 10 0 ADAEMP CC(C)Cc1[nH]cc(CC2C[NH2+]C2)[nH+]1 257870304 573763457 /nfs/dbraw/zinc/76/34/57/573763457.db2.gz SWKGBAICCWZQDC-UHFFFAOYSA-N 2 1 193.294 1.370 10 0 ADAEMP CC(C)C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C1CC1 108342718 573766900 /nfs/dbraw/zinc/76/69/00/573766900.db2.gz VSDYCFBMOZTDGE-ZYHUDNBSSA-N 2 1 196.338 1.844 10 0 ADAEMP Cc1[nH]c2c([nH+]1)C[C@H]([C@H](C)[NH3+])CC2 76089370 573764481 /nfs/dbraw/zinc/76/44/81/573764481.db2.gz MDAOWLGZAFDMRH-POYBYMJQSA-N 2 1 179.267 1.170 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@H]1CC[NH2+]C[C@H]1C 308710211 573764576 /nfs/dbraw/zinc/76/45/76/573764576.db2.gz YGXDDSKIZBFXDF-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C[C@H]1C 308710214 573764639 /nfs/dbraw/zinc/76/46/39/573764639.db2.gz YGXDDSKIZBFXDF-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCCc2c1[nH+]cn2C 76087898 573764712 /nfs/dbraw/zinc/76/47/12/573764712.db2.gz WEAFIHZFPCNXBD-DTWKUNHWSA-N 2 1 193.294 1.577 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@@H]([C@H](C)[NH3+])CCC2 76089705 573764728 /nfs/dbraw/zinc/76/47/28/573764728.db2.gz FPRYCGXCAASBDY-IONNQARKSA-N 2 1 193.294 1.496 10 0 ADAEMP Cc1[nH+]c2c(n1C)[C@@H](CC[NH3+])CCC2 76089736 573764804 /nfs/dbraw/zinc/76/48/04/573764804.db2.gz RZBHFWOTEMKYQE-SECBINFHSA-N 2 1 193.294 1.497 10 0 ADAEMP CC(C)[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CC1 108332687 573764962 /nfs/dbraw/zinc/76/49/62/573764962.db2.gz YJYSNKBXMCHOBS-WPRPVWTQSA-N 2 1 168.284 1.206 10 0 ADAEMP CC(C)[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CC1 108332687 573764968 /nfs/dbraw/zinc/76/49/68/573764968.db2.gz YJYSNKBXMCHOBS-WPRPVWTQSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCCc2[nH+]cn(C)c21 76087911 573764991 /nfs/dbraw/zinc/76/49/91/573764991.db2.gz YTHKIOQZMIIECC-DTWKUNHWSA-N 2 1 193.294 1.577 10 0 ADAEMP CC[N@H+]1CC[C@@H](/C=C\CC[NH3+])C1 258123280 573765017 /nfs/dbraw/zinc/76/50/17/573765017.db2.gz IOFMEVKSVVFLOE-TZGMSPROSA-N 2 1 168.284 1.233 10 0 ADAEMP CC[N@H+](C1CCCC1)[C@@H](C)C1C[NH2+]C1 686255232 573765215 /nfs/dbraw/zinc/76/52/15/573765215.db2.gz DLEXOYYLBYHOGQ-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH]c2c([nH+]1)CCC[C@H]2CCC[NH3+] 76089443 573765445 /nfs/dbraw/zinc/76/54/45/573765445.db2.gz HZZBEDSYKFAXSL-VIFPVBQESA-N 2 1 193.294 1.877 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@H]2[C@@H](C)[NH3+] 76089654 573765499 /nfs/dbraw/zinc/76/54/99/573765499.db2.gz ACJMPOXGYUWYIP-APPZFPTMSA-N 2 1 193.294 1.496 10 0 ADAEMP CC[N@H+]1CC[C@@H](CCC2([NH3+])CCC2)C1 257869931 573765519 /nfs/dbraw/zinc/76/55/19/573765519.db2.gz ABBMACPARGTGGQ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP Cc1[nH+]c2c(n1C)CCC[C@H]2CC[NH3+] 76089791 573765554 /nfs/dbraw/zinc/76/55/54/573765554.db2.gz HPXPPZDQQRESSB-VIFPVBQESA-N 2 1 193.294 1.497 10 0 ADAEMP Cc1[nH]c2c([nH+]1)C[C@@H]([C@H](C)[NH3+])CC2 76089371 573765588 /nfs/dbraw/zinc/76/55/88/573765588.db2.gz MDAOWLGZAFDMRH-XPUUQOCRSA-N 2 1 179.267 1.170 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CC=CCC2)C1 84080297 573765655 /nfs/dbraw/zinc/76/56/55/573765655.db2.gz QTYKJLFCAZWVEX-VHSXEESVSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+][C@H]1CC[N@H+]([C@@H]2CC=CCC2)C1 84080297 573765663 /nfs/dbraw/zinc/76/56/63/573765663.db2.gz QTYKJLFCAZWVEX-VHSXEESVSA-N 2 1 166.268 1.128 10 0 ADAEMP CC[C@H]([NH2+]Cc1ccoc1)C1C[NH2+]C1 716159975 573766092 /nfs/dbraw/zinc/76/60/92/573766092.db2.gz XZFGDGOJXAEPNK-NSHDSACASA-N 2 1 194.278 1.367 10 0 ADAEMP [NH3+][C@H](c1cccc(O)c1)[C@@H]1CC[NH2+]C1 257870376 573766235 /nfs/dbraw/zinc/76/62/35/573766235.db2.gz SXZHTNASKABOQG-MWLCHTKSSA-N 2 1 192.262 1.002 10 0 ADAEMP [NH3+][C@@H](c1cccc(O)c1)[C@H]1CC[NH2+]C1 257870378 573766372 /nfs/dbraw/zinc/76/63/72/573766372.db2.gz SXZHTNASKABOQG-ONGXEEELSA-N 2 1 192.262 1.002 10 0 ADAEMP C[N@@H+](Cc1cc[nH]c1)CC1(C[NH3+])CC1 258933020 573770122 /nfs/dbraw/zinc/77/01/22/573770122.db2.gz ORPGADQNYNWYFF-UHFFFAOYSA-N 2 1 193.294 1.185 10 0 ADAEMP [NH3+][C@@H](c1cccc(O)c1)[C@@H]1CC[NH2+]C1 257870374 573770068 /nfs/dbraw/zinc/77/00/68/573770068.db2.gz SXZHTNASKABOQG-KOLCDFICSA-N 2 1 192.262 1.002 10 0 ADAEMP CC(C)([NH3+])C[NH2+]Cc1ccc(O)cc1 308710590 573770075 /nfs/dbraw/zinc/77/00/75/573770075.db2.gz YPFIZRCBJSASCU-UHFFFAOYSA-N 2 1 194.278 1.219 10 0 ADAEMP C[N@H+]1CC=C(c2ccccc2C[NH3+])C1 257875232 573771375 /nfs/dbraw/zinc/77/13/75/573771375.db2.gz UIYFEBFYVSPZAE-UHFFFAOYSA-N 2 1 188.274 1.474 10 0 ADAEMP CO[C@@H]1CC[N@@H+](C/C=C\C[NH3+])[C@@H](C)C1 308436190 573771394 /nfs/dbraw/zinc/77/13/94/573771394.db2.gz OYIWFQBBZZJEGX-CBZSPVTBSA-N 2 1 198.310 1.001 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1CC1CCCC1 131138542 573771402 /nfs/dbraw/zinc/77/14/02/573771402.db2.gz RNXFZNARUCFUCD-UHFFFAOYSA-N 2 1 193.294 1.575 10 0 ADAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 258934760 573771467 /nfs/dbraw/zinc/77/14/67/573771467.db2.gz JPWUZTVOFGFJRE-WDEREUQCSA-N 2 1 193.294 1.374 10 0 ADAEMP C[NH2+]C[C@]1([C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C 258931948 573771674 /nfs/dbraw/zinc/77/16/74/573771674.db2.gz AXLJMOLEJOVNKD-QJPTWQEYSA-N 2 1 196.338 1.574 10 0 ADAEMP C[N@@H+](CCC(C)(C)C)CC1C[NH2+]C1 258940304 573772170 /nfs/dbraw/zinc/77/21/70/573772170.db2.gz QIZGWEZTMJJZPL-UHFFFAOYSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C)C(C)(C)C1 259180691 573772175 /nfs/dbraw/zinc/77/21/75/573772175.db2.gz HLFDHODZDFRCMT-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@@H+]1[C@H](C)CC[NH3+] 224670506 573772273 /nfs/dbraw/zinc/77/22/73/573772273.db2.gz MWQPLRFGYDYTGP-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C)CCC[C@@H](C)C[NH3+] 131174362 573775820 /nfs/dbraw/zinc/77/58/20/573775820.db2.gz RWPLIKUGMUDYFF-SECBINFHSA-N 2 1 158.289 1.313 10 0 ADAEMP CC[N@@H+](C)CCC[C@H](C)C[NH3+] 131174602 573775936 /nfs/dbraw/zinc/77/59/36/573775936.db2.gz RWPLIKUGMUDYFF-VIFPVBQESA-N 2 1 158.289 1.313 10 0 ADAEMP CC(C)[C@H]1CCCN1[C@@H]1CCC[NH2+]C1 84126092 573777454 /nfs/dbraw/zinc/77/74/54/573777454.db2.gz RXYUZJGOUXZXHW-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CC[C@H](C2([NH3+])CCC2)C1 257875465 573777483 /nfs/dbraw/zinc/77/74/83/573777483.db2.gz ASRKEFPIGSKWKX-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C)C[C@H]([NH2+]C2CCC2)C[NH2+]1 258941361 573777609 /nfs/dbraw/zinc/77/76/09/573777609.db2.gz YJIDRYUBKDEAGU-VIFPVBQESA-N 2 1 168.284 1.269 10 0 ADAEMP Cc1[nH+]c(C(C)C)[nH]c1[C@H]1CC[NH2+]C1 257875519 573777799 /nfs/dbraw/zinc/77/77/99/573777799.db2.gz UMHDTXXEZOGDLG-VIFPVBQESA-N 2 1 193.294 1.918 10 0 ADAEMP CC[C@@H](C)n1c[nH+]cc1CC[NH3+] 131180331 573777829 /nfs/dbraw/zinc/77/78/29/573777829.db2.gz MBISUEWXVIDYTO-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP c1cc2c(c[nH+]1)C[NH2+]CCN2C1CC1 257876345 573777896 /nfs/dbraw/zinc/77/78/96/573777896.db2.gz UQZZIERSNCPHLQ-UHFFFAOYSA-N 2 1 189.262 1.154 10 0 ADAEMP Cc1[nH+]c(C(C)C)[nH]c1[C@@H]1CC[NH2+]C1 257875515 573779389 /nfs/dbraw/zinc/77/93/89/573779389.db2.gz UMHDTXXEZOGDLG-SECBINFHSA-N 2 1 193.294 1.918 10 0 ADAEMP C[N@H+]1CCC[C@H]1CC1([NH3+])CCCC1 258117806 573779622 /nfs/dbraw/zinc/77/96/22/573779622.db2.gz TWZBDZUYPBSALI-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CC1([NH3+])CCCC1 258117809 573780629 /nfs/dbraw/zinc/78/06/29/573780629.db2.gz TWZBDZUYPBSALI-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[N@@H+](C)CCC[C@@H](C)C[NH3+] 131178448 573780810 /nfs/dbraw/zinc/78/08/10/573780810.db2.gz QJVNPDHDVOPBBZ-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CC(C)C[N@@H+](C)CCC[C@H](C)C[NH3+] 131179114 573780926 /nfs/dbraw/zinc/78/09/26/573780926.db2.gz XUOBTSCIBRTGIU-NSHDSACASA-N 2 1 186.343 1.949 10 0 ADAEMP CC1(C)C[C@@H]([NH2+]C2CCC2)C[NH2+]1 258939458 573780957 /nfs/dbraw/zinc/78/09/57/573780957.db2.gz YJIDRYUBKDEAGU-SECBINFHSA-N 2 1 168.284 1.269 10 0 ADAEMP CC1=CC(C)(C)[NH2+]CC[N@H+]1C 100231533 573782854 /nfs/dbraw/zinc/78/28/54/573782854.db2.gz RLOVUKJFLNCPMK-UHFFFAOYSA-N 2 1 154.257 1.204 10 0 ADAEMP CC1=CC(C)(C)[NH2+]CC[N@@H+]1C 100231533 573782859 /nfs/dbraw/zinc/78/28/59/573782859.db2.gz RLOVUKJFLNCPMK-UHFFFAOYSA-N 2 1 154.257 1.204 10 0 ADAEMP CC(C)[NH2+]CC[NH2+]CCc1cc[nH]c1 258938811 573782727 /nfs/dbraw/zinc/78/27/27/573782727.db2.gz QETLMYPJUOFEKL-UHFFFAOYSA-N 2 1 195.310 1.145 10 0 ADAEMP CC[C@@H](C[NH2+]CC1CC1)[NH+]1CCCC1 308737938 573784608 /nfs/dbraw/zinc/78/46/08/573784608.db2.gz MPVAGQZACOFXGC-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]CC1([C@H]([NH3+])c2cccs2)CC1 259186516 573784974 /nfs/dbraw/zinc/78/49/74/573784974.db2.gz CWGFTYVGTRIAEK-MRVPVSSYSA-N 2 1 182.292 1.487 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)C1CCC1 127192135 573785143 /nfs/dbraw/zinc/78/51/43/573785143.db2.gz JYKGJBFZJQTSHE-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C[NH2+]CC1CC1)[NH+]1CCCC1 308737934 573785794 /nfs/dbraw/zinc/78/57/94/573785794.db2.gz MPVAGQZACOFXGC-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1CC(C)C 107231281 573787971 /nfs/dbraw/zinc/78/79/71/573787971.db2.gz VIIJXOYVSTYIMK-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1CC(C)C 107231281 573787975 /nfs/dbraw/zinc/78/79/75/573787975.db2.gz VIIJXOYVSTYIMK-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])CC1CC1 43422981 573788092 /nfs/dbraw/zinc/78/80/92/573788092.db2.gz QNNKEYVNGVMUEU-UHFFFAOYSA-N 2 1 197.326 1.680 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)C1CCC1 127192391 573788298 /nfs/dbraw/zinc/78/82/98/573788298.db2.gz JYKGJBFZJQTSHE-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@@H+](CCCC[NH3+])C1CCC1 127187468 573788475 /nfs/dbraw/zinc/78/84/75/573788475.db2.gz IRKBGGSZBNCDMB-UHFFFAOYSA-N 2 1 156.273 1.210 10 0 ADAEMP C[C@H](CC[NH3+])CC[N@@H+](C)CCCF 716777335 573788679 /nfs/dbraw/zinc/78/86/79/573788679.db2.gz AFYYBYSBKYYCBL-SNVBAGLBSA-N 2 1 190.306 1.653 10 0 ADAEMP CC[NH2+]CC(C)(C)[C@@H]1CCC[N@@H+](C)C1 259185746 573788719 /nfs/dbraw/zinc/78/87/19/573788719.db2.gz VNDUTPBCWCNUKG-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP C[N@@H+](CCC(C)(C)C[NH3+])C1CCC1 127194095 573788721 /nfs/dbraw/zinc/78/87/21/573788721.db2.gz SFJDADJIJTZPQN-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP Cn1cc[nH+]c1CC1(C[NH3+])CCC1 238516906 573789047 /nfs/dbraw/zinc/78/90/47/573789047.db2.gz CZLDLSBLOQESMI-UHFFFAOYSA-N 2 1 179.267 1.092 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]C(C)(C)CC1 259187573 573789236 /nfs/dbraw/zinc/78/92/36/573789236.db2.gz BMBYNTNXTVJQOM-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+](CCC[NH2+]C1CC1)C1CCC1 127292346 573789663 /nfs/dbraw/zinc/78/96/63/573789663.db2.gz SYUSEMGOCGAWSZ-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+](CC[C@H]1CCC[C@@H]1[NH3+])C1CCC1 127302404 573789726 /nfs/dbraw/zinc/78/97/26/573789726.db2.gz SHCDEYMVHOFHJR-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)C1CCC1 127301928 573789827 /nfs/dbraw/zinc/78/98/27/573789827.db2.gz KPJFGIMCQDMOQJ-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)C1CCC1 127295807 573789998 /nfs/dbraw/zinc/78/99/98/573789998.db2.gz HAUMSEQEMVJFCT-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP Cc1[nH]cc(C[C@@H]2CCC[NH2+]C2)[nH+]1 238517515 573790307 /nfs/dbraw/zinc/79/03/07/573790307.db2.gz BFSQGNFAHYHLIL-VIFPVBQESA-N 2 1 179.267 1.260 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@@H+](C)C1CCC1 127293753 573791996 /nfs/dbraw/zinc/79/19/96/573791996.db2.gz ROSNURLRTBZAKE-BDAKNGLRSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@@H](C[N@H+](C)C1CCC1)[NH2+]C 127299800 573790513 /nfs/dbraw/zinc/79/05/13/573790513.db2.gz ZWWLBZUOMMPYBA-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H](C[N@@H+](C)C1CCC1)[NH2+]C 127299800 573790518 /nfs/dbraw/zinc/79/05/18/573790518.db2.gz ZWWLBZUOMMPYBA-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[N@@H+](CCC(N)=[NH2+])CC(C)C 43423036 573790713 /nfs/dbraw/zinc/79/07/13/573790713.db2.gz FQCWFRNKDQDXOU-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP C[C@@H]([NH3+])CCCC[N@@H+](C)C1CCC1 127292816 573790861 /nfs/dbraw/zinc/79/08/61/573790861.db2.gz DIYSPGCAPUMKBJ-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1C 259185632 573790872 /nfs/dbraw/zinc/79/08/72/573790872.db2.gz HTANQSQEJYNEGW-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+](C)C1CCC1 127293537 573791421 /nfs/dbraw/zinc/79/14/21/573791421.db2.gz ROSNURLRTBZAKE-IUCAKERBSA-N 2 1 170.300 1.597 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)[C@H]1C 259185643 573791498 /nfs/dbraw/zinc/79/14/98/573791498.db2.gz HTANQSQEJYNEGW-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C[N@H+](C)C1CCC1)[NH2+]C 127300002 573791593 /nfs/dbraw/zinc/79/15/93/573791593.db2.gz ZWWLBZUOMMPYBA-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C[N@@H+](C)C1CCC1)[NH2+]C 127300002 573791596 /nfs/dbraw/zinc/79/15/96/573791596.db2.gz ZWWLBZUOMMPYBA-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)C1CCC1 127301699 573791749 /nfs/dbraw/zinc/79/17/49/573791749.db2.gz KPJFGIMCQDMOQJ-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H]([NH3+])Cc1[nH+]cc(C2CCC2)n1C 107234893 573796392 /nfs/dbraw/zinc/79/63/92/573796392.db2.gz BMXQRSGHEZQVOG-QMMMGPOBSA-N 2 1 193.294 1.577 10 0 ADAEMP CCC[N@H+]1C[C@H](C[NH3+])CC1(C)C 259190551 573798094 /nfs/dbraw/zinc/79/80/94/573798094.db2.gz BOVZFQNALZLHOG-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[C@H]1[C@H]([NH2+]C2CC2)CC[N@@H+]1C 107237770 573796590 /nfs/dbraw/zinc/79/65/90/573796590.db2.gz FLGBYVCHVNYBAV-NEPJUHHUSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)C[C@H]1[C@H]([NH2+]C2CC2)CC[N@H+]1C 107237770 573796596 /nfs/dbraw/zinc/79/65/96/573796596.db2.gz FLGBYVCHVNYBAV-NEPJUHHUSA-N 2 1 196.338 1.857 10 0 ADAEMP CCc1c[nH+]c(C[C@H](C)[NH3+])n1C1CC1 107234890 573796780 /nfs/dbraw/zinc/79/67/80/573796780.db2.gz OJSNUXGUWDMCGA-QMMMGPOBSA-N 2 1 193.294 1.670 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@@H+](C)C1CCC1 127303441 573796904 /nfs/dbraw/zinc/79/69/04/573796904.db2.gz OKBAWOCISSCLCM-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+](C)C1CCC1 127303969 573797135 /nfs/dbraw/zinc/79/71/35/573797135.db2.gz NCVXNDFWDUMMEK-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+](C)C1CCC1 127303969 573797139 /nfs/dbraw/zinc/79/71/39/573797139.db2.gz NCVXNDFWDUMMEK-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CCC[C@@H]1C[NH3+] 84213575 573797188 /nfs/dbraw/zinc/79/71/88/573797188.db2.gz NKXMWVZIQURZDB-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP COCC[N@@H+](C(C)C)[C@H](C)[C@@H](C)[NH3+] 131236657 573797367 /nfs/dbraw/zinc/79/73/67/573797367.db2.gz FMXWCRPOPWSPLK-NXEZZACHSA-N 2 1 188.315 1.079 10 0 ADAEMP C[NH2+]CC[C@@H]([NH3+])c1ccccc1OC 259190394 573797605 /nfs/dbraw/zinc/79/76/05/573797605.db2.gz FQARTLOIMFGLTG-SNVBAGLBSA-N 2 1 194.278 1.305 10 0 ADAEMP C[NH2+]CC[C@H]([NH3+])c1ccccc1OC 259190389 573797682 /nfs/dbraw/zinc/79/76/82/573797682.db2.gz FQARTLOIMFGLTG-JTQLQIEISA-N 2 1 194.278 1.305 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CCC[C@@H]1C[NH3+] 84213574 573798521 /nfs/dbraw/zinc/79/85/21/573798521.db2.gz NKXMWVZIQURZDB-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259190547 573799591 /nfs/dbraw/zinc/79/95/91/573799591.db2.gz BOVZFQNALZLHOG-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@H](C)C1C[NH2+]C1 686255371 573800683 /nfs/dbraw/zinc/80/06/83/573800683.db2.gz GFGXMPZPLDSCAT-OUAUKWLOSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@@H](C1C[NH2+]C1)[N@H+]1CCC12CCC2 716190927 573801836 /nfs/dbraw/zinc/80/18/36/573801836.db2.gz QPNPIIGOKRXAAX-NSHDSACASA-N 2 1 194.322 1.613 10 0 ADAEMP [NH3+]CCCCn1c[nH+]c2c1CCCC2 127250825 573805503 /nfs/dbraw/zinc/80/55/03/573805503.db2.gz XBBBJKJWDZPSAM-UHFFFAOYSA-N 2 1 193.294 1.501 10 0 ADAEMP Cc1ccc(C)c([C@](C)(N)C[NH3+])c1 259194657 573808802 /nfs/dbraw/zinc/80/88/02/573808802.db2.gz YIBYXJMZZJLZDK-LLVKDONJSA-N 2 1 178.279 1.436 10 0 ADAEMP Cc1[nH]c(C)c(C[C@H]2CCC[NH2+]C2)[nH+]1 257879333 573808899 /nfs/dbraw/zinc/80/88/99/573808899.db2.gz VDHXNEBPCCTSKU-SNVBAGLBSA-N 2 1 193.294 1.569 10 0 ADAEMP F[C@@H]1CC[C@H]([C@@H]2CCC[NH2+]C2)[NH2+]C1 238529356 573809215 /nfs/dbraw/zinc/80/92/15/573809215.db2.gz UOBVYVAMFPSUKT-OPRDCNLKSA-N 2 1 186.274 1.076 10 0 ADAEMP CC[N@H+]1CCC[C@@H](/C=C\CC[NH2+]C)C1 258138664 573809220 /nfs/dbraw/zinc/80/92/20/573809220.db2.gz JNSFRWMVKQGOIR-DJFZKKHWSA-N 2 1 196.338 1.884 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+](CCOC)C(C)C 131268222 573808779 /nfs/dbraw/zinc/80/87/79/573808779.db2.gz VACBBXBUMBKHEP-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+](CCOC)C(C)C 131268222 573808786 /nfs/dbraw/zinc/80/87/86/573808786.db2.gz VACBBXBUMBKHEP-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP CC(C)(C)Cn1c[nH+]cc1CC[NH3+] 131289851 573811046 /nfs/dbraw/zinc/81/10/46/573811046.db2.gz RTBBXCUIPLLUMS-UHFFFAOYSA-N 2 1 181.283 1.430 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](CC2([NH3+])CC2)C1 257879476 573811214 /nfs/dbraw/zinc/81/12/14/573811214.db2.gz BFYBOGAYUYTTKL-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C[NH3+])CCC[NH2+]CC(F)F 131309816 573811265 /nfs/dbraw/zinc/81/12/65/573811265.db2.gz HHTCGEWWSSQDPJ-ZETCQYMHSA-N 2 1 180.242 1.216 10 0 ADAEMP CCC(CC)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 87175453 573811452 /nfs/dbraw/zinc/81/14/52/573811452.db2.gz XMMBGYRLCSKMSV-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+](CCCC[NH3+])CCc1ccc[nH]1 258960376 573811516 /nfs/dbraw/zinc/81/15/16/573811516.db2.gz SKEVCSAGAACGII-UHFFFAOYSA-N 2 1 195.310 1.228 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)[C@@H](C)CC[NH3+] 41042559 573812540 /nfs/dbraw/zinc/81/25/40/573812540.db2.gz FDQYMHHAPNVQAI-ZJUUUORDSA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+](C)Cc1cccnc1 41042584 573812748 /nfs/dbraw/zinc/81/27/48/573812748.db2.gz HLZFMJZMEFXREN-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)Cc1cccnc1 41042584 573812751 /nfs/dbraw/zinc/81/27/51/573812751.db2.gz HLZFMJZMEFXREN-SNVBAGLBSA-N 2 1 193.294 1.251 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CCC(C)C)[C@H]1C 259200960 573812929 /nfs/dbraw/zinc/81/29/29/573812929.db2.gz IXPKNJBSWWIMSR-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC[C@@H](C)C[NH3+])C[C@@H]1C 131295254 573813168 /nfs/dbraw/zinc/81/31/68/573813168.db2.gz GORBYNMXEDQFCZ-UTUOFQBUSA-N 2 1 198.354 1.949 10 0 ADAEMP C[N@@H+]1CCC[C@@]2(C[NH2+][C@@H](CF)C2)C1 257879952 573813191 /nfs/dbraw/zinc/81/31/91/573813191.db2.gz LRJUMPLDNPHAIB-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@H+]1CCC[C@@]2(C[NH2+][C@@H](CF)C2)C1 257879952 573813198 /nfs/dbraw/zinc/81/31/98/573813198.db2.gz LRJUMPLDNPHAIB-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@@H+](C[C@@H]([NH3+])C1CCCC1)C1CCC1 127352541 573813263 /nfs/dbraw/zinc/81/32/63/573813263.db2.gz UJHSWQKOYXHTDU-GFCCVEGCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](CC[NH3+])[N@@H+](C)C1CCCC1 41042540 573813274 /nfs/dbraw/zinc/81/32/74/573813274.db2.gz UTTOIKXSJIJACU-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]C[C@@H](F)C[C@H]1CCC[N@@H+](C)C1 257880174 573813322 /nfs/dbraw/zinc/81/33/22/573813322.db2.gz VGYDWJRBRNVAJF-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+](C)Cc1cccnc1 41042583 573813372 /nfs/dbraw/zinc/81/33/72/573813372.db2.gz HLZFMJZMEFXREN-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)Cc1cccnc1 41042583 573813375 /nfs/dbraw/zinc/81/33/75/573813375.db2.gz HLZFMJZMEFXREN-JTQLQIEISA-N 2 1 193.294 1.251 10 0 ADAEMP CC[N@H+](C1CCCC1)[C@H](C)CC[NH3+] 41042576 573813477 /nfs/dbraw/zinc/81/34/77/573813477.db2.gz LMMFPLDHCUHZRD-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+](C)C1CCC1 127362250 573813512 /nfs/dbraw/zinc/81/35/12/573813512.db2.gz RQDWYAYOKIIZPW-UWVGGRQHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C1CCC1 127362250 573813515 /nfs/dbraw/zinc/81/35/15/573813515.db2.gz RQDWYAYOKIIZPW-UWVGGRQHSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CCC[C@@H](C2CC([NH3+])C2)C1 259199327 573814537 /nfs/dbraw/zinc/81/45/37/573814537.db2.gz KYFMDRZOHNVADF-XNWIYYODSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)[NH2+]CCC[N@@H+](C)C1CCC1 127365360 573814780 /nfs/dbraw/zinc/81/47/80/573814780.db2.gz AUQJVIGPEPDSFV-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]C[C@H](F)C[C@H]1CCC[N@@H+](C)C1 257880167 573814795 /nfs/dbraw/zinc/81/47/95/573814795.db2.gz VGYDWJRBRNVAJF-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@@H](C)CC[NH3+] 41042677 573814962 /nfs/dbraw/zinc/81/49/62/573814962.db2.gz RTJYUUZKDMXOPX-VIFPVBQESA-N 2 1 181.283 1.916 10 0 ADAEMP CC(C)(C)c1c[nH]c(C2CC([NH3+])C2)[nH+]1 259198517 573815122 /nfs/dbraw/zinc/81/51/22/573815122.db2.gz XKSAOYAGHBNOHD-UHFFFAOYSA-N 2 1 193.294 1.912 10 0 ADAEMP C[N@@H+](C[C@H]([NH3+])C1CCCC1)C1CCC1 127352298 573815550 /nfs/dbraw/zinc/81/55/50/573815550.db2.gz UJHSWQKOYXHTDU-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CC[C@@H](CCC2([NH3+])CC2)C1 257881156 573815558 /nfs/dbraw/zinc/81/55/58/573815558.db2.gz LZHQRIKDWLWJRD-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CCCOCC[NH2+][C@H](C[NH3+])CCC 393591542 573815734 /nfs/dbraw/zinc/81/57/34/573815734.db2.gz RMWUWULYTFMMSC-JTQLQIEISA-N 2 1 188.315 1.130 10 0 ADAEMP C[N@@H+]1CCC[C@]2(C[NH2+][C@@H](CF)C2)C1 257879956 573815784 /nfs/dbraw/zinc/81/57/84/573815784.db2.gz LRJUMPLDNPHAIB-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@H+]1CCC[C@]2(C[NH2+][C@@H](CF)C2)C1 257879956 573815790 /nfs/dbraw/zinc/81/57/90/573815790.db2.gz LRJUMPLDNPHAIB-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+][C@@H](C)[C@H](C)[N@H+](C)C1CCC1 127363170 573815906 /nfs/dbraw/zinc/81/59/06/573815906.db2.gz QAYSPSOUFDHEEO-IUCAKERBSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C1CCC1 127363170 573815913 /nfs/dbraw/zinc/81/59/13/573815913.db2.gz QAYSPSOUFDHEEO-IUCAKERBSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(C)C)[C@@H]1C 259200957 573815924 /nfs/dbraw/zinc/81/59/24/573815924.db2.gz IXPKNJBSWWIMSR-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC1(C)CC[N@H+](C2CC2)C[C@@H]1CC[NH3+] 259200636 573818811 /nfs/dbraw/zinc/81/88/11/573818811.db2.gz IVARUSANCIYQSZ-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CCC[C@H](C2CC([NH3+])C2)C1 259199326 573816234 /nfs/dbraw/zinc/81/62/34/573816234.db2.gz KYFMDRZOHNVADF-IDKOKCKLSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]C[C@H](F)C[C@@H]1CCC[N@@H+](C)C1 257880172 573816400 /nfs/dbraw/zinc/81/64/00/573816400.db2.gz VGYDWJRBRNVAJF-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)C1CCC1 127350339 573816455 /nfs/dbraw/zinc/81/64/55/573816455.db2.gz AHOWSUGEVLMINP-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+]1CCC[C@@]2(C[NH2+][C@H](CF)C2)C1 257879954 573816724 /nfs/dbraw/zinc/81/67/24/573816724.db2.gz LRJUMPLDNPHAIB-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@H+]1CCC[C@@]2(C[NH2+][C@H](CF)C2)C1 257879954 573816730 /nfs/dbraw/zinc/81/67/30/573816730.db2.gz LRJUMPLDNPHAIB-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@@H+]1CCC[C@]2(C[NH2+][C@H](CF)C2)C1 257879953 573816747 /nfs/dbraw/zinc/81/67/47/573816747.db2.gz LRJUMPLDNPHAIB-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[N@H+]1CCC[C@]2(C[NH2+][C@H](CF)C2)C1 257879953 573816751 /nfs/dbraw/zinc/81/67/51/573816751.db2.gz LRJUMPLDNPHAIB-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[N@H+](C)C1CCC1 127363401 573816853 /nfs/dbraw/zinc/81/68/53/573816853.db2.gz QAYSPSOUFDHEEO-BDAKNGLRSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[N@@H+](C)C1CCC1 127363401 573816856 /nfs/dbraw/zinc/81/68/56/573816856.db2.gz QAYSPSOUFDHEEO-BDAKNGLRSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+]C[C@@H](F)C[C@@H]1CCC[N@@H+](C)C1 257880170 573816899 /nfs/dbraw/zinc/81/68/99/573816899.db2.gz VGYDWJRBRNVAJF-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C1CCC1 127362704 573816923 /nfs/dbraw/zinc/81/69/23/573816923.db2.gz QAYSPSOUFDHEEO-DTWKUNHWSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127362704 573816928 /nfs/dbraw/zinc/81/69/28/573816928.db2.gz QAYSPSOUFDHEEO-DTWKUNHWSA-N 2 1 170.300 1.467 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@H](C)CC[NH3+] 41042678 573817022 /nfs/dbraw/zinc/81/70/22/573817022.db2.gz RTJYUUZKDMXOPX-SECBINFHSA-N 2 1 181.283 1.916 10 0 ADAEMP CC(C)C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 41043422 573817047 /nfs/dbraw/zinc/81/70/47/573817047.db2.gz WYUAHOLALRZJFC-FGWVZKOKSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[N@H+]1CC[C@H](CCC2([NH3+])CC2)C1 257881154 573817086 /nfs/dbraw/zinc/81/70/86/573817086.db2.gz LZHQRIKDWLWJRD-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+](C)C1CCC1 127361998 573817176 /nfs/dbraw/zinc/81/71/76/573817176.db2.gz RQDWYAYOKIIZPW-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127361998 573817182 /nfs/dbraw/zinc/81/71/82/573817182.db2.gz RQDWYAYOKIIZPW-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C1CCC1 127361797 573817330 /nfs/dbraw/zinc/81/73/30/573817330.db2.gz RQDWYAYOKIIZPW-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C1CCC1 127361797 573817333 /nfs/dbraw/zinc/81/73/33/573817333.db2.gz RQDWYAYOKIIZPW-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]2C[C@@]23CC[NH2+]C3)C1 258147186 573817463 /nfs/dbraw/zinc/81/74/63/573817463.db2.gz RQHDKQSLSPOKGR-SDDRHHMPSA-N 2 1 194.322 1.328 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@]2(C)CCCC[NH2+]2)C1 258146725 573817610 /nfs/dbraw/zinc/81/76/10/573817610.db2.gz KCZOINHJOLYEHK-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@]2(C)CCCC[NH2+]2)C1 258146724 573817632 /nfs/dbraw/zinc/81/76/32/573817632.db2.gz KCZOINHJOLYEHK-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)C1CCC1)C1CC1 127313881 573817755 /nfs/dbraw/zinc/81/77/55/573817755.db2.gz XFJKMSUFJWTHOX-LLVKDONJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)C1CCC1)C1CC1 127313881 573817757 /nfs/dbraw/zinc/81/77/57/573817757.db2.gz XFJKMSUFJWTHOX-LLVKDONJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)CC[N@H+](C2CC2)C[C@H]1CC[NH3+] 259200641 573817769 /nfs/dbraw/zinc/81/77/69/573817769.db2.gz IVARUSANCIYQSZ-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP 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84302895 573818118 /nfs/dbraw/zinc/81/81/18/573818118.db2.gz ICXYFTHLZUKPNF-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+]C[C@@H]1C[C@@H]1[C@H]1CCC[N@@H+](C)C1 308447871 573818189 /nfs/dbraw/zinc/81/81/89/573818189.db2.gz ANJGMLOOADHBAU-SDDRHHMPSA-N 2 1 196.338 1.574 10 0 ADAEMP C1C[NH2+][C@@H]2[C@H](C1)CCC[N@H+]1CCC[C@H]21 257883480 573818230 /nfs/dbraw/zinc/81/82/30/573818230.db2.gz VWQREJWJRXCYJT-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP Cc1ccc([C@@H]2[NH2+]CCC[C@@H]2C[NH3+])o1 238524397 573818239 /nfs/dbraw/zinc/81/82/39/573818239.db2.gz FZCFIBDSAMUCSH-MWLCHTKSSA-N 2 1 194.278 1.587 10 0 ADAEMP CCC[C@H](C[N@H+](C)C1CCC1)[NH2+]C 127323165 573818277 /nfs/dbraw/zinc/81/82/77/573818277.db2.gz NYZWBZLLZWHMEG-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C[N@@H+](C)C1CCC1)[NH2+]C 127323165 573818281 /nfs/dbraw/zinc/81/82/81/573818281.db2.gz NYZWBZLLZWHMEG-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)C1CCC1 127332590 573818421 /nfs/dbraw/zinc/81/84/21/573818421.db2.gz XUCRWVFFQRHVID-ONGXEEELSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)C1CCC1 127332590 573818424 /nfs/dbraw/zinc/81/84/24/573818424.db2.gz XUCRWVFFQRHVID-ONGXEEELSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@]2(C)CCCC[NH2+]2)C1 258146731 573818864 /nfs/dbraw/zinc/81/88/64/573818864.db2.gz KCZOINHJOLYEHK-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C1CCC(C(C)C)CC1 308444455 573823937 /nfs/dbraw/zinc/82/39/37/573823937.db2.gz AAXJINWRPYGTAO-MCIGGMRASA-N 2 1 198.354 1.996 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2C[C@]23CC[NH2+]C3)C1 258147193 573819657 /nfs/dbraw/zinc/81/96/57/573819657.db2.gz RQHDKQSLSPOKGR-TUAOUCFPSA-N 2 1 194.322 1.328 10 0 ADAEMP C[N@@H+]1CCC[C@H]1[C@]1(C)CCCC[NH2+]1 258146701 573819726 /nfs/dbraw/zinc/81/97/26/573819726.db2.gz KBYWMHNNRQESTQ-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@]1(C)CCCC[NH2+]1 258146701 573819732 /nfs/dbraw/zinc/81/97/32/573819732.db2.gz KBYWMHNNRQESTQ-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1C[NH3+] 84311908 573819815 /nfs/dbraw/zinc/81/98/15/573819815.db2.gz FMPQFMSUSYKJMT-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)C1CCC1 127332141 573819841 /nfs/dbraw/zinc/81/98/41/573819841.db2.gz XUCRWVFFQRHVID-KOLCDFICSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)C1CCC1 127332141 573819848 /nfs/dbraw/zinc/81/98/48/573819848.db2.gz XUCRWVFFQRHVID-KOLCDFICSA-N 2 1 184.327 1.857 10 0 ADAEMP CCc1[nH+]c(CCC2([NH3+])CC2)cn1C 257883452 573820203 /nfs/dbraw/zinc/82/02/03/573820203.db2.gz VVYUGCNHNCDNNT-UHFFFAOYSA-N 2 1 193.294 1.406 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@H](F)CC[NH3+])C1 257883545 573820610 /nfs/dbraw/zinc/82/06/10/573820610.db2.gz VXVXTXXYKZGUFJ-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[NH2+]CCCC1=CC[N@@H+](C)CC1 258148329 573820460 /nfs/dbraw/zinc/82/04/60/573820460.db2.gz QVFNWBBDGJIQJV-UHFFFAOYSA-N 2 1 168.284 1.248 10 0 ADAEMP C[N@@H+]1CCC[C@H]1[C@@]1(C)CCCC[NH2+]1 258146704 573820514 /nfs/dbraw/zinc/82/05/14/573820514.db2.gz KBYWMHNNRQESTQ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@]1(C)CCCC[NH2+]1 258146704 573820520 /nfs/dbraw/zinc/82/05/20/573820520.db2.gz KBYWMHNNRQESTQ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1[C@]1(C)CCCC[NH2+]1 258146699 573821760 /nfs/dbraw/zinc/82/17/60/573821760.db2.gz KBYWMHNNRQESTQ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@]1(C)CCCC[NH2+]1 258146699 573821765 /nfs/dbraw/zinc/82/17/65/573821765.db2.gz KBYWMHNNRQESTQ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[C@H](C[NH3+])[N@H+](C)C1CC1 41053108 573821865 /nfs/dbraw/zinc/82/18/65/573821865.db2.gz IQKBAZGULIDXIL-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@H](C[NH3+])[N@@H+](C)C1CC1 41053108 573821870 /nfs/dbraw/zinc/82/18/70/573821870.db2.gz IQKBAZGULIDXIL-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H](C[NH3+])Cc1[nH]cc(C2CCC2)[nH+]1 259203313 573822346 /nfs/dbraw/zinc/82/23/46/573822346.db2.gz XSRLLINSZYPGEW-MRVPVSSYSA-N 2 1 193.294 1.815 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H]2C[NH3+])C1 84312155 573822140 /nfs/dbraw/zinc/82/21/40/573822140.db2.gz NJHOYVFTDINPKM-UTUOFQBUSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+](C)C1CCC1 127314939 573822163 /nfs/dbraw/zinc/82/21/63/573822163.db2.gz LAFRICMBBQJUFP-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+](C)C1CCC1 127314939 573822167 /nfs/dbraw/zinc/82/21/67/573822167.db2.gz LAFRICMBBQJUFP-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[N@H+](C)C1CCC1)[NH2+]C 127322919 573822180 /nfs/dbraw/zinc/82/21/80/573822180.db2.gz NYZWBZLLZWHMEG-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[N@@H+](C)C1CCC1)[NH2+]C 127322919 573822186 /nfs/dbraw/zinc/82/21/86/573822186.db2.gz NYZWBZLLZWHMEG-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)C1CCC1 127332370 573822216 /nfs/dbraw/zinc/82/22/16/573822216.db2.gz XUCRWVFFQRHVID-MWLCHTKSSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)C1CCC1 127332370 573822222 /nfs/dbraw/zinc/82/22/22/573822222.db2.gz XUCRWVFFQRHVID-MWLCHTKSSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)C1CC[NH2+]CC1 43501192 573824209 /nfs/dbraw/zinc/82/42/09/573824209.db2.gz RECLMZHFHBNUFK-UHFFFAOYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@H+](C)[C@@H](C)C(N)=[NH2+] 43515369 573829314 /nfs/dbraw/zinc/82/93/14/573829314.db2.gz XBYPZWYJCXEIDF-YUMQZZPRSA-N 2 1 171.288 1.287 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+](C)C1CCC1 127335128 573826891 /nfs/dbraw/zinc/82/68/91/573826891.db2.gz BEAYIZLTHNWPEV-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](C)[N@@H+](CCC(N)=[NH2+])C1CC1 233275516 573826932 /nfs/dbraw/zinc/82/69/32/573826932.db2.gz PHGFJBSIMRAMHC-SECBINFHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](C)C(N)=[NH2+] 43515369 573829319 /nfs/dbraw/zinc/82/93/19/573829319.db2.gz XBYPZWYJCXEIDF-YUMQZZPRSA-N 2 1 171.288 1.287 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)C1CCC1 127339992 573827768 /nfs/dbraw/zinc/82/77/68/573827768.db2.gz YBEDBBBIKGJDEF-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](C)C1CCC1 127335359 573827889 /nfs/dbraw/zinc/82/78/89/573827889.db2.gz BEAYIZLTHNWPEV-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC12CC2 715358376 573828534 /nfs/dbraw/zinc/82/85/34/573828534.db2.gz XSKVVXOPRIVHJW-SNVBAGLBSA-N 2 1 191.278 1.334 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 122850788 573828913 /nfs/dbraw/zinc/82/89/13/573828913.db2.gz OOKPXCPODMRLHN-UTSBZEJYSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)[C@H](C)Cn1c[nH+]cc1CC[NH3+] 131413511 573829306 /nfs/dbraw/zinc/82/93/06/573829306.db2.gz DIGOYALCQVBYCJ-SNVBAGLBSA-N 2 1 195.310 1.676 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 235658919 573832780 /nfs/dbraw/zinc/83/27/80/573832780.db2.gz HAFABPFIVQCJGC-TUAOUCFPSA-N 2 1 196.338 1.574 10 0 ADAEMP CCC(CC)[N@H+](C)[C@@H](C)C(N)=[NH2+] 43528545 573832968 /nfs/dbraw/zinc/83/29/68/573832968.db2.gz VSQFKHJDSJDHGJ-ZETCQYMHSA-N 2 1 171.288 1.431 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@@H](C)C(N)=[NH2+] 43528545 573832973 /nfs/dbraw/zinc/83/29/73/573832973.db2.gz VSQFKHJDSJDHGJ-ZETCQYMHSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](C)[C@@H](C)C(C)C 43541023 573833444 /nfs/dbraw/zinc/83/34/44/573833444.db2.gz GBVLBNNEBIJWCT-IUCAKERBSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](C)[C@@H](C)C(C)C 43541023 573833449 /nfs/dbraw/zinc/83/34/49/573833449.db2.gz GBVLBNNEBIJWCT-IUCAKERBSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@H](C[NH3+])n1cc[nH+]c1C(C)C 43541008 573833502 /nfs/dbraw/zinc/83/35/02/573833502.db2.gz RJIWJVXRCKKLGE-SECBINFHSA-N 2 1 181.283 1.916 10 0 ADAEMP C[N@H+]1C[C@@H]2C[C@]2(CCC2([NH3+])CC2)C1 257886269 573833519 /nfs/dbraw/zinc/83/35/19/573833519.db2.gz MQUAHHHJRAOEIO-VHSXEESVSA-N 2 1 180.295 1.210 10 0 ADAEMP CC1CCC(C[NH2+]CC[NH3+])CC1 84339289 573834472 /nfs/dbraw/zinc/83/44/72/573834472.db2.gz RMFUUMDNBISYRT-UHFFFAOYSA-N 2 1 170.300 1.361 10 0 ADAEMP CCC[NH+](CCC)[C@H](C)C(N)=[NH2+] 43528387 573833617 /nfs/dbraw/zinc/83/36/17/573833617.db2.gz WRSALSQQGBQQED-MRVPVSSYSA-N 2 1 171.288 1.433 10 0 ADAEMP CC(C)[C@H]1CC[N@H+]([C@H](C)C2C[NH2+]C2)C1 686255476 573833680 /nfs/dbraw/zinc/83/36/80/573833680.db2.gz LBSKDTWJFIKWEH-MNOVXSKESA-N 2 1 196.338 1.572 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2C[C@H]2C[NH2+]C2CC2)C1 308448948 573834427 /nfs/dbraw/zinc/83/44/27/573834427.db2.gz CBSXYPUVHZCQAO-NHCYSSNCSA-N 2 1 194.322 1.326 10 0 ADAEMP C[NH2+]CC[N@H+](C)CC1CCC(C)CC1 84339673 573833952 /nfs/dbraw/zinc/83/39/52/573833952.db2.gz GBTWMGSYWOJJQG-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]CC[N@@H+](C)CC1CCC(C)CC1 84339673 573833957 /nfs/dbraw/zinc/83/39/57/573833957.db2.gz GBTWMGSYWOJJQG-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)[C@H]1CC[N@H+]([C@@H](C)C2C[NH2+]C2)C1 686255477 573834032 /nfs/dbraw/zinc/83/40/32/573834032.db2.gz LBSKDTWJFIKWEH-QWRGUYRKSA-N 2 1 196.338 1.572 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C1CCC(C)CC1 84339312 573834257 /nfs/dbraw/zinc/83/42/57/573834257.db2.gz BMGCVIYFGQIHDL-UDNWOFFPSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@@H](C[NH2+]C1CC1)C1CCCCC1 259575192 573836218 /nfs/dbraw/zinc/83/62/18/573836218.db2.gz WWTXRZBDLQZJBF-LBPRGKRZSA-N 2 1 196.338 1.907 10 0 ADAEMP CCc1[nH+]ccn1[C@H](CC)C[NH3+] 43541264 573836245 /nfs/dbraw/zinc/83/62/45/573836245.db2.gz XJMWYQCCZWMVLY-MRVPVSSYSA-N 2 1 167.256 1.355 10 0 ADAEMP CCC[N@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 43528500 573836625 /nfs/dbraw/zinc/83/66/25/573836625.db2.gz IMJXIXIQDCYGCZ-QMMMGPOBSA-N 2 1 171.288 1.431 10 0 ADAEMP CCC[N@@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 43528500 573836633 /nfs/dbraw/zinc/83/66/33/573836633.db2.gz IMJXIXIQDCYGCZ-QMMMGPOBSA-N 2 1 171.288 1.431 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@@H](C)C2C[NH2+]C2)C1 686255478 573836810 /nfs/dbraw/zinc/83/68/10/573836810.db2.gz LBSKDTWJFIKWEH-WDEREUQCSA-N 2 1 196.338 1.572 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C1CCC(C)CC1 84339313 573837140 /nfs/dbraw/zinc/83/71/40/573837140.db2.gz BMGCVIYFGQIHDL-RTBKNWGFSA-N 2 1 170.300 1.359 10 0 ADAEMP CC1CCC([C@@H]([NH3+])C[NH3+])CC1 84339275 573837231 /nfs/dbraw/zinc/83/72/31/573837231.db2.gz NQHHJLYPLCQCRY-HACHORDNSA-N 2 1 156.273 1.099 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2C[C@H]2C[NH2+]C2CC2)C1 308448947 573838168 /nfs/dbraw/zinc/83/81/68/573838168.db2.gz CBSXYPUVHZCQAO-JBLDHEPKSA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H](CC)C(N)=[NH2+] 43545541 573848585 /nfs/dbraw/zinc/84/85/85/573848585.db2.gz PVHQUUDXOPORSF-YUMQZZPRSA-N 2 1 171.288 1.431 10 0 ADAEMP [NH3+][C@H](c1cccs1)[C@H]1CC[NH2+]C1 259575372 573839256 /nfs/dbraw/zinc/83/92/56/573839256.db2.gz YVTQVUHWIQSMMT-CBAPKCEASA-N 2 1 182.292 1.357 10 0 ADAEMP CNc1[nH]cc([C@@H]2CCC[N@H+](C)C2)[nH+]1 259208552 573839281 /nfs/dbraw/zinc/83/92/81/573839281.db2.gz YGXVAEYANKPOHU-MRVPVSSYSA-N 2 1 194.282 1.261 10 0 ADAEMP CNc1[nH]cc([C@@H]2CCC[N@@H+](C)C2)[nH+]1 259208552 573839285 /nfs/dbraw/zinc/83/92/85/573839285.db2.gz YGXVAEYANKPOHU-MRVPVSSYSA-N 2 1 194.282 1.261 10 0 ADAEMP CCC(CC)[NH2+]CCc1c[nH+]cn1C 308759624 573839873 /nfs/dbraw/zinc/83/98/73/573839873.db2.gz XMEXHAZKZYXVTN-UHFFFAOYSA-N 2 1 195.310 1.741 10 0 ADAEMP CNc1[nH]cc([C@H]2CCC[N@H+](C)C2)[nH+]1 259208554 573839610 /nfs/dbraw/zinc/83/96/10/573839610.db2.gz YGXVAEYANKPOHU-QMMMGPOBSA-N 2 1 194.282 1.261 10 0 ADAEMP CNc1[nH]cc([C@H]2CCC[N@@H+](C)C2)[nH+]1 259208554 573839615 /nfs/dbraw/zinc/83/96/15/573839615.db2.gz YGXVAEYANKPOHU-QMMMGPOBSA-N 2 1 194.282 1.261 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 308449584 573839800 /nfs/dbraw/zinc/83/98/00/573839800.db2.gz ATMNKVGQKWYFEU-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@@H]1CCC[C@H](C)C1 84342415 573841241 /nfs/dbraw/zinc/84/12/41/573841241.db2.gz CZATYAOQYOSPMZ-IVZWLZJFSA-N 2 1 170.300 1.359 10 0 ADAEMP CCC[N@H+]1C[C@H](CC[NH3+])CC1(C)C 259207684 573842537 /nfs/dbraw/zinc/84/25/37/573842537.db2.gz CJRZVKPECKNFMQ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@H](C[NH3+])[C@H]1CCC[C@@H](C)C1 84342409 573842713 /nfs/dbraw/zinc/84/27/13/573842713.db2.gz CZATYAOQYOSPMZ-KXUCPTDWSA-N 2 1 170.300 1.359 10 0 ADAEMP [NH3+][C@H](c1cccs1)[C@@H]1CC[NH2+]C1 259575370 573842832 /nfs/dbraw/zinc/84/28/32/573842832.db2.gz YVTQVUHWIQSMMT-APPZFPTMSA-N 2 1 182.292 1.357 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H](C)[C@@](C)(C[NH3+])C1 308449581 573842987 /nfs/dbraw/zinc/84/29/87/573842987.db2.gz ATMNKVGQKWYFEU-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@@H](N)[C@H](C)[N@H+]1CCC(C)(C)C1 87252112 573843068 /nfs/dbraw/zinc/84/30/68/573843068.db2.gz JPAAGIBHRYUTLQ-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)N1CCC(C)(C)C1 87252112 573843074 /nfs/dbraw/zinc/84/30/74/573843074.db2.gz JPAAGIBHRYUTLQ-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H](N)[C@H](C)[N@H+]1CCC(C)(C)C1 87252192 573843315 /nfs/dbraw/zinc/84/33/15/573843315.db2.gz HIYCQPDTTPHOHQ-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)N1CCC(C)(C)C1 87252192 573843320 /nfs/dbraw/zinc/84/33/20/573843320.db2.gz HIYCQPDTTPHOHQ-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CCC[C@@H]([C@H]([NH3+])C[NH3+])C1 84342081 573843351 /nfs/dbraw/zinc/84/33/51/573843351.db2.gz DTKFUWWXOHNRFT-IWSPIJDZSA-N 2 1 156.273 1.099 10 0 ADAEMP CC[C@H](N)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252108 573843520 /nfs/dbraw/zinc/84/35/20/573843520.db2.gz JPAAGIBHRYUTLQ-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)N1CCC(C)(C)C1 87252108 573843524 /nfs/dbraw/zinc/84/35/24/573843524.db2.gz JPAAGIBHRYUTLQ-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1ccc[nH]1 258968336 573843729 /nfs/dbraw/zinc/84/37/29/573843729.db2.gz SZVYUIAXDHZHRZ-UHFFFAOYSA-N 2 1 181.283 1.185 10 0 ADAEMP CCC[NH+](CCC)[C@H](CC)C(N)=[NH2+] 43545422 573843867 /nfs/dbraw/zinc/84/38/67/573843867.db2.gz JVKYKURMWBSOML-SECBINFHSA-N 2 1 185.315 1.823 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](CC)C(C)C 43545527 573844793 /nfs/dbraw/zinc/84/47/93/573844793.db2.gz AIUFNKBJRQUOHT-MRVPVSSYSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](CC)C(C)C 43545527 573844797 /nfs/dbraw/zinc/84/47/97/573844797.db2.gz AIUFNKBJRQUOHT-MRVPVSSYSA-N 2 1 171.288 1.431 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCC(C)(C)C1 87232812 573845051 /nfs/dbraw/zinc/84/50/51/573845051.db2.gz XHHCZLFAHIPRTC-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@@]1([C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258158825 573845074 /nfs/dbraw/zinc/84/50/74/573845074.db2.gz KWCIRWPNIBWARS-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+](CC)C(C)C 43545526 573845230 /nfs/dbraw/zinc/84/52/30/573845230.db2.gz AIUFNKBJRQUOHT-QMMMGPOBSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+](CC)C(C)C 43545526 573845237 /nfs/dbraw/zinc/84/52/37/573845237.db2.gz AIUFNKBJRQUOHT-QMMMGPOBSA-N 2 1 171.288 1.431 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCC(C)(C)C1 87252222 573845467 /nfs/dbraw/zinc/84/54/67/573845467.db2.gz NMYLJPFGNUMQID-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC1(C)CC[N@H+]([C@@H]2CCCC[C@@H]2N)C1 87252035 573845559 /nfs/dbraw/zinc/84/55/59/573845559.db2.gz RKQSDHJQLHOFRJ-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCN([C@@H]2CCCC[C@@H]2[NH3+])C1 87252035 573845564 /nfs/dbraw/zinc/84/55/64/573845564.db2.gz RKQSDHJQLHOFRJ-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H]2CC[NH2+]C(C)(C)C2)C1 258159795 573848393 /nfs/dbraw/zinc/84/83/93/573848393.db2.gz BKSZMMYLYBNNRL-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H](C)[NH2+][C@H](CC)C[NH3+] 233279411 573848614 /nfs/dbraw/zinc/84/86/14/573848614.db2.gz OQUQWIPSRAGELH-RKDXNWHRSA-N 2 1 158.289 1.502 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1C 238150500 573848642 /nfs/dbraw/zinc/84/86/42/573848642.db2.gz AQPVQIFVNBDMFM-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC1(C)CC[N@@H+](CCCCC[NH3+])C1 87232784 573847963 /nfs/dbraw/zinc/84/79/63/573847963.db2.gz OIQNCHMCPMRLLW-UHFFFAOYSA-N 2 1 184.327 1.847 10 0 ADAEMP [NH3+]C[C@H]([NH2+]C1CCC1)C1CCC1 258517160 573848007 /nfs/dbraw/zinc/84/80/07/573848007.db2.gz LYDUKYWKQBWTKI-JTQLQIEISA-N 2 1 168.284 1.256 10 0 ADAEMP CCC[N@H+](CC)[C@@H](CC)C(N)=[NH2+] 43545529 573848106 /nfs/dbraw/zinc/84/81/06/573848106.db2.gz AHYQZTJACZYBSG-QMMMGPOBSA-N 2 1 171.288 1.433 10 0 ADAEMP CCC[N@@H+](CC)[C@@H](CC)C(N)=[NH2+] 43545529 573848108 /nfs/dbraw/zinc/84/81/08/573848108.db2.gz AHYQZTJACZYBSG-QMMMGPOBSA-N 2 1 171.288 1.433 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1CCC(C)(C)C1 87252249 573848112 /nfs/dbraw/zinc/84/81/12/573848112.db2.gz ZZOOGKZRDYOUMO-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1CCC(C)(C)C1 87252249 573848121 /nfs/dbraw/zinc/84/81/21/573848121.db2.gz ZZOOGKZRDYOUMO-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238151066 573848552 /nfs/dbraw/zinc/84/85/52/573848552.db2.gz WAYJMXMQAZTXCB-RTCCRHLQSA-N 2 1 196.338 1.987 10 0 ADAEMP Cc1cc[nH+]c(NC2[C@@H]3C[NH2+]C[C@H]23)c1 43561743 573848172 /nfs/dbraw/zinc/84/81/72/573848172.db2.gz DADJWUGPDBVRCJ-SLHIUPAKSA-N 2 1 189.262 1.020 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2CC[NH2+]C(C)(C)C2)C1 258159793 573848176 /nfs/dbraw/zinc/84/81/76/573848176.db2.gz BKSZMMYLYBNNRL-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238151091 573848219 /nfs/dbraw/zinc/84/82/19/573848219.db2.gz WAYJMXMQAZTXCB-JGPRNRPPSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+]C/C=C\C[C@@H]1CC[N@@H+](C)C1 258158876 573848242 /nfs/dbraw/zinc/84/82/42/573848242.db2.gz KWNJJOOJJLBPMR-UMBAGQNISA-N 2 1 168.284 1.104 10 0 ADAEMP CC[C@H](C)[N@H+](C)[C@@H](CC)C(N)=[NH2+] 43545541 573848578 /nfs/dbraw/zinc/84/85/78/573848578.db2.gz PVHQUUDXOPORSF-YUMQZZPRSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[N@@H+](C)CC1CCC1 258971075 573848852 /nfs/dbraw/zinc/84/88/52/573848852.db2.gz LGTTWPRAXLKAHI-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1Cc1ccco1 259209743 573849750 /nfs/dbraw/zinc/84/97/50/573849750.db2.gz CMKUOZNNRMHVDQ-NXEZZACHSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)C2C[NH2+]C2)C1 686255461 573849771 /nfs/dbraw/zinc/84/97/71/573849771.db2.gz KQYAOXGLGLVRNJ-OUAUKWLOSA-N 2 1 196.338 1.572 10 0 ADAEMP CC(C)=CC[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238151893 573849798 /nfs/dbraw/zinc/84/97/98/573849798.db2.gz MHZOZJIDFODRME-CNDDSTCGSA-N 2 1 194.322 1.907 10 0 ADAEMP CC1(C)CC[N@H+]([C@@H]2CCC[C@@H]2N)C1 87252134 573849862 /nfs/dbraw/zinc/84/98/62/573849862.db2.gz ZSBZWJYJCZZDPK-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCN([C@@H]2CCC[C@@H]2[NH3+])C1 87252134 573849866 /nfs/dbraw/zinc/84/98/66/573849866.db2.gz ZSBZWJYJCZZDPK-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2C[NH2+][C@@H](C)C2)C1 258154155 573849998 /nfs/dbraw/zinc/84/99/98/573849998.db2.gz KOJAHUOPECXIKK-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 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87255046 573852645 /nfs/dbraw/zinc/85/26/45/573852645.db2.gz HOZAOYUZAOEHCU-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@@H](F)C[NH3+])C1 257889368 573851560 /nfs/dbraw/zinc/85/15/60/573851560.db2.gz NEJVFUNFCYVVAA-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1C 238150653 573851671 /nfs/dbraw/zinc/85/16/71/573851671.db2.gz AQPVQIFVNBDMFM-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C[N@H+]1CCC(C)(C)C1)C(N)=[NH2+] 87254795 573851770 /nfs/dbraw/zinc/85/17/70/573851770.db2.gz DFPWKMFHDSLVLO-QMMMGPOBSA-N 2 1 183.299 1.290 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC(C)(C)C1 87254811 573851921 /nfs/dbraw/zinc/85/19/21/573851921.db2.gz MVQZDVAIFIDDAX-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC(C)(C)C1 87254811 573851925 /nfs/dbraw/zinc/85/19/25/573851925.db2.gz MVQZDVAIFIDDAX-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@@H+]1CCC(C)(C)C1 87258851 573852030 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/nfs/dbraw/zinc/85/97/49/573859749.db2.gz CDNXYXFQKDPPRM-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@@H]1[C@@H]([NH3+])CC[N@H+]1C(C)C 84329191 573859796 /nfs/dbraw/zinc/85/97/96/573859796.db2.gz LNUGLJSSOUEVSV-DTWKUNHWSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H]1CCC[N@@H+]1C 84329108 573859857 /nfs/dbraw/zinc/85/98/57/573859857.db2.gz YEZPPCXWHQMVOM-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H]1CCC[N@H+]1C 84329108 573859865 /nfs/dbraw/zinc/85/98/65/573859865.db2.gz YEZPPCXWHQMVOM-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CCC[C@H]([NH3+])[C@H]1CC[N@@H+](C)C1 84329093 573859943 /nfs/dbraw/zinc/85/99/43/573859943.db2.gz WDLQDJHKYYYNNM-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@@H]1[NH2+]CCC[C@@H]1[NH+](C)C 238167809 573859954 /nfs/dbraw/zinc/85/99/54/573859954.db2.gz PWQKEVWVGJUTDV-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C 84331930 573860285 /nfs/dbraw/zinc/86/02/85/573860285.db2.gz PRQHZGYYYCIHAS-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@]1(C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258163562 573860330 /nfs/dbraw/zinc/86/03/30/573860330.db2.gz LBLMZCSJBDHMKR-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@H+](C)C1 84329074 573860362 /nfs/dbraw/zinc/86/03/62/573860362.db2.gz LUCZWEMCFREZBY-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@@H+](C)C1 84329074 573860367 /nfs/dbraw/zinc/86/03/67/573860367.db2.gz LUCZWEMCFREZBY-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C[NH2+]C)C[N@@H+](C)C(C)(C)C 258973152 573860428 /nfs/dbraw/zinc/86/04/28/573860428.db2.gz LODFHIZVEHPAHM-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])CC[N@H+](C)C1 84329080 573860472 /nfs/dbraw/zinc/86/04/72/573860472.db2.gz USDRDOOPRKKMPU-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])CC[N@@H+](C)C1 84329080 573860478 /nfs/dbraw/zinc/86/04/78/573860478.db2.gz USDRDOOPRKKMPU-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@]1(C[C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258163568 573860553 /nfs/dbraw/zinc/86/05/53/573860553.db2.gz LBLMZCSJBDHMKR-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C 84329085 573860555 /nfs/dbraw/zinc/86/05/55/573860555.db2.gz OZOUPUPDKZFIQY-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])CCC[N@H+](C)C1 84331917 573860575 /nfs/dbraw/zinc/86/05/75/573860575.db2.gz VYDPLCJYKRQCOY-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])CCC[N@@H+](C)C1 84331917 573860580 /nfs/dbraw/zinc/86/05/80/573860580.db2.gz VYDPLCJYKRQCOY-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@H]1CCCC[N@H+]1C 84331929 573860611 /nfs/dbraw/zinc/86/06/11/573860611.db2.gz PRQHZGYYYCIHAS-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H]1CCC[N@@H+]1C 84329107 573860660 /nfs/dbraw/zinc/86/06/60/573860660.db2.gz YEZPPCXWHQMVOM-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H]1CCC[N@H+]1C 84329107 573860666 /nfs/dbraw/zinc/86/06/66/573860666.db2.gz YEZPPCXWHQMVOM-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CCC[C@]1([NH3+])CCC[N@@H+](C)CC1 84331913 573860701 /nfs/dbraw/zinc/86/07/01/573860701.db2.gz ACXSUXIXLBAQNS-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[C@@H]([NH3+])[C@H]1CC[N@@H+](C)C1 84329095 573860738 /nfs/dbraw/zinc/86/07/38/573860738.db2.gz WDLQDJHKYYYNNM-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CCC[N@H+](C)C1 84331918 573860754 /nfs/dbraw/zinc/86/07/54/573860754.db2.gz VYDPLCJYKRQCOY-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CCC[N@@H+](C)C1 84331918 573860758 /nfs/dbraw/zinc/86/07/58/573860758.db2.gz VYDPLCJYKRQCOY-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[NH+](CC)CC 43808901 573860764 /nfs/dbraw/zinc/86/07/64/573860764.db2.gz UOPNOIMKLLTRGD-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)CC 43820343 573863993 /nfs/dbraw/zinc/86/39/93/573863993.db2.gz FGSLCCCBUHVTSA-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CCC[N@H+](C)C1 84331920 573862423 /nfs/dbraw/zinc/86/24/23/573862423.db2.gz VYDPLCJYKRQCOY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CCC[N@@H+](C)C1 84331920 573862430 /nfs/dbraw/zinc/86/24/30/573862430.db2.gz VYDPLCJYKRQCOY-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+](C)CCCF 716818093 573862495 /nfs/dbraw/zinc/86/24/95/573862495.db2.gz JZHJSFXDHHCOJY-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+](C)CCCF 716818093 573862503 /nfs/dbraw/zinc/86/25/03/573862503.db2.gz JZHJSFXDHHCOJY-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@H+](C)CC 43819920 573862590 /nfs/dbraw/zinc/86/25/90/573862590.db2.gz JWKYNOOEYAYDGS-RKDXNWHRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)CC 43819920 573862592 /nfs/dbraw/zinc/86/25/92/573862592.db2.gz JWKYNOOEYAYDGS-RKDXNWHRSA-N 2 1 158.289 1.325 10 0 ADAEMP CCC[NH2+][C@@H](C)C[NH+](CC)CC 43809596 573862754 /nfs/dbraw/zinc/86/27/54/573862754.db2.gz SYHREVVHOVNVSL-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)CC 43819922 573862847 /nfs/dbraw/zinc/86/28/47/573862847.db2.gz JWKYNOOEYAYDGS-IUCAKERBSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)CC 43819922 573862852 /nfs/dbraw/zinc/86/28/52/573862852.db2.gz JWKYNOOEYAYDGS-IUCAKERBSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)CC 43819925 573862862 /nfs/dbraw/zinc/86/28/62/573862862.db2.gz JWKYNOOEYAYDGS-DTWKUNHWSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)CC 43819925 573862869 /nfs/dbraw/zinc/86/28/69/573862869.db2.gz JWKYNOOEYAYDGS-DTWKUNHWSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])C1(C(C)C)CCC1 686133032 573863024 /nfs/dbraw/zinc/86/30/24/573863024.db2.gz NAOOKBXVPFHELF-SNVBAGLBSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[NH2+][C@@H](CC)[C@@H](C)[NH+]1CCCC1 43807315 573863053 /nfs/dbraw/zinc/86/30/53/573863053.db2.gz XLSJGZZGFZDDAE-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CC 43820828 573863358 /nfs/dbraw/zinc/86/33/58/573863358.db2.gz JUPWIDROVJZRIW-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]1c1cc(C[NH3+])[nH]n1 259215540 573863201 /nfs/dbraw/zinc/86/32/01/573863201.db2.gz LLMNCSKVWQIXTI-SNVBAGLBSA-N 2 1 194.282 1.025 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1c1cc(C[NH3+])[nH]n1 259215540 573863207 /nfs/dbraw/zinc/86/32/07/573863207.db2.gz LLMNCSKVWQIXTI-SNVBAGLBSA-N 2 1 194.282 1.025 10 0 ADAEMP CC[NH2+][C@@H](CC)[C@H](C)[NH+]1CCCC1 43807318 573863272 /nfs/dbraw/zinc/86/32/72/573863272.db2.gz XLSJGZZGFZDDAE-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C)[C@H](C)[NH+]1CCCC1 43807863 573863312 /nfs/dbraw/zinc/86/33/12/573863312.db2.gz MQJUWKRHFZUZJN-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CC 43820828 573863364 /nfs/dbraw/zinc/86/33/64/573863364.db2.gz JUPWIDROVJZRIW-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 258165504 573863313 /nfs/dbraw/zinc/86/33/13/573863313.db2.gz TZPGEQZGTDTRLH-WISYIIOYSA-N 2 1 194.322 1.184 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@H]([NH3+])C1CCCC1 84343762 573863497 /nfs/dbraw/zinc/86/34/97/573863497.db2.gz FFZREMAYOZHTEC-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[NH+](CC)CC 43809472 573863538 /nfs/dbraw/zinc/86/35/38/573863538.db2.gz JFEGVUVSARZSFI-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CC 43820340 573863564 /nfs/dbraw/zinc/86/35/64/573863564.db2.gz FGSLCCCBUHVTSA-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CC 43820340 573863569 /nfs/dbraw/zinc/86/35/69/573863569.db2.gz FGSLCCCBUHVTSA-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1CCCC[C@@H]1C 43810091 573863624 /nfs/dbraw/zinc/86/36/24/573863624.db2.gz UUEODCVQVNKZDZ-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCCC[C@@H]1C 43810091 573863630 /nfs/dbraw/zinc/86/36/30/573863630.db2.gz UUEODCVQVNKZDZ-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+]1CCC[C@@]([NH3+])(C2CCCC2)C1 84343751 573863741 /nfs/dbraw/zinc/86/37/41/573863741.db2.gz DKAIQKOVTLZKMM-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CCC[C@@]([NH3+])(C2CCCC2)C1 84343751 573863748 /nfs/dbraw/zinc/86/37/48/573863748.db2.gz DKAIQKOVTLZKMM-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP CC[NH2+][C@H](CC)[C@@H](C)[NH+]1CCCC1 43807317 573863750 /nfs/dbraw/zinc/86/37/50/573863750.db2.gz XLSJGZZGFZDDAE-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](CC)C1CC1 43821317 573863785 /nfs/dbraw/zinc/86/37/85/573863785.db2.gz KKDWWOCSZNGJNW-KOLCDFICSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](CC)C1CC1 43821317 573863792 /nfs/dbraw/zinc/86/37/92/573863792.db2.gz KKDWWOCSZNGJNW-KOLCDFICSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H]([NH3+])c2cccs2)C1 84360058 573863824 /nfs/dbraw/zinc/86/38/24/573863824.db2.gz LWAGOAIBMVURJC-SCZZXKLOSA-N 2 1 196.319 1.700 10 0 ADAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@H+](C)CC 43821214 573863834 /nfs/dbraw/zinc/86/38/34/573863834.db2.gz HDUACJLWQUKUSS-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)CC 43821214 573863842 /nfs/dbraw/zinc/86/38/42/573863842.db2.gz HDUACJLWQUKUSS-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP C[N@H+]1CCC[C@]([NH3+])(C2CCCC2)CC1 84360457 573863921 /nfs/dbraw/zinc/86/39/21/573863921.db2.gz URGJFOYCPKEAMW-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)CC 43820607 573863926 /nfs/dbraw/zinc/86/39/26/573863926.db2.gz WAAYNIDKMKQSDQ-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CC 43820607 573863928 /nfs/dbraw/zinc/86/39/28/573863928.db2.gz WAAYNIDKMKQSDQ-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CC 43820343 573863998 /nfs/dbraw/zinc/86/39/98/573863998.db2.gz FGSLCCCBUHVTSA-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CC 43820338 573864008 /nfs/dbraw/zinc/86/40/08/573864008.db2.gz FGSLCCCBUHVTSA-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CC 43820338 573864013 /nfs/dbraw/zinc/86/40/13/573864013.db2.gz FGSLCCCBUHVTSA-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@H](CCC[NH3+])C[N@H+]1CC[C@H](F)C1 689860965 573868478 /nfs/dbraw/zinc/86/84/78/573868478.db2.gz PULNKZHRYBERCF-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H](CCC[NH3+])C[N@H+]1CC[C@@H](F)C1 689860960 573868979 /nfs/dbraw/zinc/86/89/79/573868979.db2.gz PULNKZHRYBERCF-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@@H]2CCCC[NH2+]2)OC1 258439200 573867407 /nfs/dbraw/zinc/86/74/07/573867407.db2.gz JQZLPWFVCYHJIS-VWYCJHECSA-N 2 1 198.310 1.101 10 0 ADAEMP CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)NC 43904427 573867610 /nfs/dbraw/zinc/86/76/10/573867610.db2.gz BVFKBZUQLZKOHA-OUAUKWLOSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)NC 43904427 573867618 /nfs/dbraw/zinc/86/76/18/573867618.db2.gz BVFKBZUQLZKOHA-OUAUKWLOSA-N 2 1 184.327 1.857 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CCC[N@@H+](C)CC1 84345414 573867706 /nfs/dbraw/zinc/86/77/06/573867706.db2.gz BCRRMRAJJHQDIS-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+]1CCC[C@]([NH3+])(C2CCCC2)C1 84343748 573867770 /nfs/dbraw/zinc/86/77/70/573867770.db2.gz DKAIQKOVTLZKMM-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CCC[C@]([NH3+])(C2CCCC2)C1 84343748 573867776 /nfs/dbraw/zinc/86/77/76/573867776.db2.gz DKAIQKOVTLZKMM-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)CC1CC1)C(C)(C)C 43905108 573867826 /nfs/dbraw/zinc/86/78/26/573867826.db2.gz ZYEZRJKGRNGMQC-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)CC1CC1)C(C)(C)C 43905108 573867832 /nfs/dbraw/zinc/86/78/32/573867832.db2.gz ZYEZRJKGRNGMQC-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@@H+]1C[C@@H](C(C)(C)C)C[C@@H]1C[NH3+] 258440947 573867862 /nfs/dbraw/zinc/86/78/62/573867862.db2.gz FBICTGKAIZVMLG-DTWKUNHWSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1C[C@@H](C(C)(C)C)C[C@@H]1C[NH3+] 258440947 573867867 /nfs/dbraw/zinc/86/78/67/573867867.db2.gz FBICTGKAIZVMLG-DTWKUNHWSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+]1CC[C@]([NH3+])(C2CCCCC2)C1 84343756 573867905 /nfs/dbraw/zinc/86/79/05/573867905.db2.gz AZVWVJSLWNKHPM-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+]1CC[C@]([NH3+])(C2CCCCC2)C1 84343756 573867907 /nfs/dbraw/zinc/86/79/07/573867907.db2.gz AZVWVJSLWNKHPM-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)C[C@]1([NH3+])CCC[N@@H+](C)CC1 84345410 573867915 /nfs/dbraw/zinc/86/79/15/573867915.db2.gz BCRRMRAJJHQDIS-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H]([NH2+]C)[C@H](CC)[NH+](C)C 43815919 573868105 /nfs/dbraw/zinc/86/81/05/573868105.db2.gz XNLZFOPRYAYKSG-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[N@H+](C)[C@H](C)[C@@H](CC)[NH2+]C 43885855 573868160 /nfs/dbraw/zinc/86/81/60/573868160.db2.gz ZMUZUXSLBQBIJX-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)[C@@H](CC)[NH2+]C 43885855 573868165 /nfs/dbraw/zinc/86/81/65/573868165.db2.gz ZMUZUXSLBQBIJX-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP C[C@H](CCC[NH3+])C[N@H+]1CC[C@@H](F)C1 689860953 573868210 /nfs/dbraw/zinc/86/82/10/573868210.db2.gz PULNKZHRYBERCF-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CCC[N@@H+](C)CC1 84345431 573868266 /nfs/dbraw/zinc/86/82/66/573868266.db2.gz COCDNVBNCNLXOK-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C 43816290 573868297 /nfs/dbraw/zinc/86/82/97/573868297.db2.gz AWIAISJZIBSFKV-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C 43816289 573868412 /nfs/dbraw/zinc/86/84/12/573868412.db2.gz AWIAISJZIBSFKV-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]C1CCC(c2[nH]cc(C)[nH+]2)CC1 259216858 573868574 /nfs/dbraw/zinc/86/85/74/573868574.db2.gz ZADTVSJACRPHQH-UHFFFAOYSA-N 2 1 193.294 1.964 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])CCC[N@@H+](C)CC1 84345418 573868708 /nfs/dbraw/zinc/86/87/08/573868708.db2.gz COCDNVBNCNLXOK-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1NC 43887207 573868817 /nfs/dbraw/zinc/86/88/17/573868817.db2.gz HUJDNPUNXHCGEZ-GARJFASQSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H]1NC 43887207 573868822 /nfs/dbraw/zinc/86/88/22/573868822.db2.gz HUJDNPUNXHCGEZ-GARJFASQSA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@@H](CCC[NH3+])C[N@H+]1CC[C@H](F)C1 689860957 573868965 /nfs/dbraw/zinc/86/89/65/573868965.db2.gz PULNKZHRYBERCF-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1c1cc(C[NH3+])no1 258439585 573869160 /nfs/dbraw/zinc/86/91/60/573869160.db2.gz GIPCFNYXIDPPNG-SECBINFHSA-N 2 1 195.266 1.290 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CCC(C)C 43914686 573869222 /nfs/dbraw/zinc/86/92/22/573869222.db2.gz ILECYMSPMISQHD-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CN[C@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](C)C1 43908344 573869259 /nfs/dbraw/zinc/86/92/59/573869259.db2.gz FGNRWDNXBZSFBJ-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CN[C@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C)C1 43908344 573869265 /nfs/dbraw/zinc/86/92/65/573869265.db2.gz FGNRWDNXBZSFBJ-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@@H+](C)CC[C@H](C)[NH2+]C 43816849 573869332 /nfs/dbraw/zinc/86/93/32/573869332.db2.gz MXUHIKMQBLCCPL-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[NH+](C)C 43815996 573869540 /nfs/dbraw/zinc/86/95/40/573869540.db2.gz SMLWIOLWVGJINE-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCCC[NH2+]2)OC1 258439192 573869579 /nfs/dbraw/zinc/86/95/79/573869579.db2.gz JQZLPWFVCYHJIS-GMTAPVOTSA-N 2 1 198.310 1.101 10 0 ADAEMP CC[C@@H]1CCC[N@@H+]1C[C@@H](C)NC 43904151 573869607 /nfs/dbraw/zinc/86/96/07/573869607.db2.gz JCZNROCIISPHNA-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H](C)NC 43904151 573869612 /nfs/dbraw/zinc/86/96/12/573869612.db2.gz JCZNROCIISPHNA-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@H]1c1cc(C[NH3+])no1 258439587 573869672 /nfs/dbraw/zinc/86/96/72/573869672.db2.gz GIPCFNYXIDPPNG-VIFPVBQESA-N 2 1 195.266 1.290 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[NH+]1CCCCC1 43813937 573869763 /nfs/dbraw/zinc/86/97/63/573869763.db2.gz YHUGTIUJXRJFMB-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+](C)[C@@H](C)[C@@H](C)[NH2+]CC 43886234 573869895 /nfs/dbraw/zinc/86/98/95/573869895.db2.gz SZUAUAOTUYJJDR-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[N@@H+](C)[C@@H](C)[C@@H](C)[NH2+]CC 43886234 573869898 /nfs/dbraw/zinc/86/98/98/573869898.db2.gz SZUAUAOTUYJJDR-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](C)CC1CC1 43905203 573870006 /nfs/dbraw/zinc/87/00/06/573870006.db2.gz YLYXNYVTEHPPGZ-GXSJLCMTSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](C)CC1CC1 43905203 573870015 /nfs/dbraw/zinc/87/00/15/573870015.db2.gz YLYXNYVTEHPPGZ-GXSJLCMTSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+](C)CCC(C)C 43914862 573870201 /nfs/dbraw/zinc/87/02/01/573870201.db2.gz ANEFDTAMJVXLFH-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+](C)CCC(C)C 43914862 573870202 /nfs/dbraw/zinc/87/02/02/573870202.db2.gz ANEFDTAMJVXLFH-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCCC[N@@H+](C)CC[C@@H](C)[NH2+]C 43816847 573870495 /nfs/dbraw/zinc/87/04/95/573870495.db2.gz MXUHIKMQBLCCPL-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H]([NH+]1CCC1)C(C)(C)C 393567426 573870502 /nfs/dbraw/zinc/87/05/02/573870502.db2.gz OGXQVMYMEZXUMK-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](CC[C@H](C)[NH2+]C)C1CC1 43885504 573870651 /nfs/dbraw/zinc/87/06/51/573870651.db2.gz FXGUKIJOVJLDBW-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP Cc1ccc([C@@]2(N)CC[N@@H+](C)C2)cc1 84350515 573870737 /nfs/dbraw/zinc/87/07/37/573870737.db2.gz HDDATBKYEMZYMQ-GFCCVEGCSA-N 2 1 190.290 1.485 10 0 ADAEMP Cc1ccc([C@@]2(N)CC[N@H+](C)C2)cc1 84350515 573870743 /nfs/dbraw/zinc/87/07/43/573870743.db2.gz HDDATBKYEMZYMQ-GFCCVEGCSA-N 2 1 190.290 1.485 10 0 ADAEMP C[C@H](c1ccoc1)[NH+]1CCC([NH3+])CC1 87290677 573870764 /nfs/dbraw/zinc/87/07/64/573870764.db2.gz POAYYBBAZPCGSJ-SECBINFHSA-N 2 1 194.278 1.764 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H](C)[NH2+]C 43885994 573870806 /nfs/dbraw/zinc/87/08/06/573870806.db2.gz DANPZOHIFFLMKI-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+](C)CC(C)C 43887078 573872102 /nfs/dbraw/zinc/87/21/02/573872102.db2.gz WCOGAUNSTAKHHH-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+](C)CC(C)C 43887078 573872105 /nfs/dbraw/zinc/87/21/05/573872105.db2.gz WCOGAUNSTAKHHH-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](C)CC1CC1 43906236 573871937 /nfs/dbraw/zinc/87/19/37/573871937.db2.gz LHOWQCZZJISRPF-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H]1CC[C@@H]([NH2+]C)[C@H]([NH+](C)C)C1 43815799 573872023 /nfs/dbraw/zinc/87/20/23/573872023.db2.gz SIHLITXYHXNANM-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)CC1CC1 43905192 573873086 /nfs/dbraw/zinc/87/30/86/573873086.db2.gz YLYXNYVTEHPPGZ-KOLCDFICSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)CC1CC1 43905192 573873090 /nfs/dbraw/zinc/87/30/90/573873090.db2.gz YLYXNYVTEHPPGZ-KOLCDFICSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[NH+](C)C 43815994 573873105 /nfs/dbraw/zinc/87/31/05/573873105.db2.gz SMLWIOLWVGJINE-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]([NH3+])[C@H]([NH+]1CCC1)C(C)(C)C 393567430 573873116 /nfs/dbraw/zinc/87/31/16/573873116.db2.gz OGXQVMYMEZXUMK-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@H+](C)[C@H](C)[C@@H](C)[NH2+]CC 43886236 573873126 /nfs/dbraw/zinc/87/31/26/573873126.db2.gz SZUAUAOTUYJJDR-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[N@@H+](C)[C@H](C)[C@@H](C)[NH2+]CC 43886236 573873131 /nfs/dbraw/zinc/87/31/31/573873131.db2.gz SZUAUAOTUYJJDR-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCCC[N@H+](C[C@@H](C)[NH2+]C)C1CC1 43968076 573873146 /nfs/dbraw/zinc/87/31/46/573873146.db2.gz PFLQIQPAHIGGBI-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@@H+](C[C@@H](C)[NH2+]C)C1CC1 43968076 573873149 /nfs/dbraw/zinc/87/31/49/573873149.db2.gz PFLQIQPAHIGGBI-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)NC 43904431 573873229 /nfs/dbraw/zinc/87/32/29/573873229.db2.gz BVFKBZUQLZKOHA-VWYCJHECSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)NC 43904431 573873235 /nfs/dbraw/zinc/87/32/35/573873235.db2.gz BVFKBZUQLZKOHA-VWYCJHECSA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H](C)[NH2+]CC 43886206 573873747 /nfs/dbraw/zinc/87/37/47/573873747.db2.gz WZFNFRMJNVCARQ-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)C(C)C 43813084 573873357 /nfs/dbraw/zinc/87/33/57/573873357.db2.gz SBHDZBGRGWXZSF-ZJUUUORDSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)C(C)C 43813084 573873362 /nfs/dbraw/zinc/87/33/62/573873362.db2.gz SBHDZBGRGWXZSF-ZJUUUORDSA-N 2 1 172.316 1.713 10 0 ADAEMP CCC[C@H]([NH2+]C)[C@@H](CC)[NH+](C)C 43815916 573873506 /nfs/dbraw/zinc/87/35/06/573873506.db2.gz XNLZFOPRYAYKSG-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+]CCC1=CC[N@H+](C(C)C)CC1 258168670 573873575 /nfs/dbraw/zinc/87/35/75/573873575.db2.gz RYOLNPVMGKVZKH-UHFFFAOYSA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)[N@@H+]1CC=C(C[NH2+]C2CCC2)C1 257895507 573877119 /nfs/dbraw/zinc/87/71/19/573877119.db2.gz ABBGQHYCQPQKDR-UHFFFAOYSA-N 2 1 194.322 1.779 10 0 ADAEMP CC(C)[N@H+]1CC=C(C[NH2+]C2CCC2)C1 257895507 573877124 /nfs/dbraw/zinc/87/71/24/573877124.db2.gz ABBGQHYCQPQKDR-UHFFFAOYSA-N 2 1 194.322 1.779 10 0 ADAEMP C[N@@H+]1CCC[C@H]1CC(F)(F)C[NH3+] 257895719 573876478 /nfs/dbraw/zinc/87/64/78/573876478.db2.gz OBYJGVVAWDYNEV-ZETCQYMHSA-N 2 1 178.226 1.065 10 0 ADAEMP C[N@H+]1CCC[C@H]1CC(F)(F)C[NH3+] 257895719 573876484 /nfs/dbraw/zinc/87/64/84/573876484.db2.gz OBYJGVVAWDYNEV-ZETCQYMHSA-N 2 1 178.226 1.065 10 0 ADAEMP CC[N@@H+]1CCC=C(C[NH2+]C2CCC2)C1 258171134 573877159 /nfs/dbraw/zinc/87/71/59/573877159.db2.gz SCLIVVYPBOSUTB-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP C[N@H+]1CCC=C(CC[NH2+]C2CC2)C1 257895455 573876940 /nfs/dbraw/zinc/87/69/40/573876940.db2.gz AABDDAGEGYSSDX-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC(C)[N@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259218257 573876945 /nfs/dbraw/zinc/87/69/45/573876945.db2.gz KEDIFLNBNGIFED-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CC2)CC1(C)C 259218260 573879145 /nfs/dbraw/zinc/87/91/45/573879145.db2.gz KEGUHMIBEPVNRI-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@H](C)[NH2+]C 44036684 573880340 /nfs/dbraw/zinc/88/03/40/573880340.db2.gz RXPGWSRTQYHDFJ-IUCAKERBSA-N 2 1 181.283 1.614 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@@H](C)[NH2+]C 44036680 573880317 /nfs/dbraw/zinc/88/03/17/573880317.db2.gz RXPGWSRTQYHDFJ-RKDXNWHRSA-N 2 1 181.283 1.614 10 0 ADAEMP CN[C@H](C)C[N@H+](CC1CC1)C(C)C 43974300 573880089 /nfs/dbraw/zinc/88/00/89/573880089.db2.gz BGOAULWKTCHIFJ-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP CN[C@H](C)C[N@@H+](CC1CC1)C(C)C 43974300 573880093 /nfs/dbraw/zinc/88/00/93/573880093.db2.gz BGOAULWKTCHIFJ-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP Cc1ccsc1[C@H]([NH3+])[C@@H]1CC[NH2+]C1 259579280 573880218 /nfs/dbraw/zinc/88/02/18/573880218.db2.gz ZCGGXHUNVAMKNJ-RKDXNWHRSA-N 2 1 196.319 1.666 10 0 ADAEMP CCC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 40621938 573881699 /nfs/dbraw/zinc/88/16/99/573881699.db2.gz VFPSQTULXPQQHN-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]([N@H+]1CCCNCC1)C(C)(C)C 76580829 573881181 /nfs/dbraw/zinc/88/11/81/573881181.db2.gz PANNGCKOIBTVMH-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H](N1CCC[NH2+]CC1)C(C)(C)C 76580829 573881185 /nfs/dbraw/zinc/88/11/85/573881185.db2.gz PANNGCKOIBTVMH-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP Cc1ccsc1[C@@H]([NH3+])[C@@H]1CC[NH2+]C1 259579277 573881400 /nfs/dbraw/zinc/88/14/00/573881400.db2.gz ZCGGXHUNVAMKNJ-BDAKNGLRSA-N 2 1 196.319 1.666 10 0 ADAEMP [NH3+]C1(CCc2cn3c([nH+]2)CCC3)CC1 257891789 573881431 /nfs/dbraw/zinc/88/14/31/573881431.db2.gz XFSUTZUNHOZGAE-UHFFFAOYSA-N 2 1 191.278 1.253 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1/C=C\C[NH2+]C 258170398 573881492 /nfs/dbraw/zinc/88/14/92/573881492.db2.gz LKIWIAYSTFDPDC-JYKYSHPRSA-N 2 1 182.311 1.636 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C)CC1(C)C 259219845 573882878 /nfs/dbraw/zinc/88/28/78/573882878.db2.gz CYEJXJALAVWDLR-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1[C@H](C[NH3+])CC[N@H+]1C(C)(C)C 259219588 573882284 /nfs/dbraw/zinc/88/22/84/573882284.db2.gz CXBMZYKZKKIGAB-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP Cc1ccsc1[C@H]([NH3+])[C@H]1CC[NH2+]C1 259579278 573882431 /nfs/dbraw/zinc/88/24/31/573882431.db2.gz ZCGGXHUNVAMKNJ-DTWKUNHWSA-N 2 1 196.319 1.666 10 0 ADAEMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cncs1 131579102 573882534 /nfs/dbraw/zinc/88/25/34/573882534.db2.gz MMRWDXBUDGRXDE-MRVPVSSYSA-N 2 1 199.323 1.088 10 0 ADAEMP CCc1c[nH]c(CC(C)(C)C[NH3+])[nH+]1 258985634 573882650 /nfs/dbraw/zinc/88/26/50/573882650.db2.gz AHRPEKNRAPIRMD-UHFFFAOYSA-N 2 1 181.283 1.500 10 0 ADAEMP Cc1ccsc1[C@@H]([NH3+])[C@H]1CC[NH2+]C1 259579279 573882770 /nfs/dbraw/zinc/88/27/70/573882770.db2.gz ZCGGXHUNVAMKNJ-IUCAKERBSA-N 2 1 196.319 1.666 10 0 ADAEMP CN(C)C(C)(C)[C@H]([NH3+])Cc1ccoc1 131477308 573882775 /nfs/dbraw/zinc/88/27/75/573882775.db2.gz ZMPWZZCKNMJRII-SNVBAGLBSA-N 2 1 196.294 1.490 10 0 ADAEMP C[NH+](C)C(C)(C)[C@H]([NH3+])Cc1ccoc1 131477308 573882782 /nfs/dbraw/zinc/88/27/82/573882782.db2.gz ZMPWZZCKNMJRII-SNVBAGLBSA-N 2 1 196.294 1.490 10 0 ADAEMP CN(C)C(C)(C)[C@@H]([NH3+])Cc1ccoc1 131477516 573883047 /nfs/dbraw/zinc/88/30/47/573883047.db2.gz ZMPWZZCKNMJRII-JTQLQIEISA-N 2 1 196.294 1.490 10 0 ADAEMP C[NH+](C)C(C)(C)[C@@H]([NH3+])Cc1ccoc1 131477516 573883053 /nfs/dbraw/zinc/88/30/53/573883053.db2.gz ZMPWZZCKNMJRII-JTQLQIEISA-N 2 1 196.294 1.490 10 0 ADAEMP [NH3+]CCc1c[nH+]cn1CCC1CCC1 131485554 573884846 /nfs/dbraw/zinc/88/48/46/573884846.db2.gz SPCWLEYBDAJTMN-UHFFFAOYSA-N 2 1 193.294 1.575 10 0 ADAEMP CC(C)C[NH2+]C[C@@]1(F)CCC[NH2+]C1 257892766 573885012 /nfs/dbraw/zinc/88/50/12/573885012.db2.gz XIYFRNBHHCHJPO-SNVBAGLBSA-N 2 1 188.290 1.324 10 0 ADAEMP C[C@H]1[C@@H]2CC[NH2+][C@H]2C[C@@H](C)[N@@H+]1C 76596863 573889281 /nfs/dbraw/zinc/88/92/81/573889281.db2.gz RYJCRRILGINBGL-KATARQTJSA-N 2 1 168.284 1.077 10 0 ADAEMP C[C@@H]1CCC[C@@H](CC[NH2+]CC[NH3+])C1 393568263 573886793 /nfs/dbraw/zinc/88/67/93/573886793.db2.gz QTJFEKVVZYUZKX-MNOVXSKESA-N 2 1 184.327 1.751 10 0 ADAEMP C[C@@H]1CCC[C@H](CC[NH2+]CC[NH3+])C1 393568261 573887138 /nfs/dbraw/zinc/88/71/38/573887138.db2.gz QTJFEKVVZYUZKX-GHMZBOCLSA-N 2 1 184.327 1.751 10 0 ADAEMP CC(C)C[NH2+]C[C@]1(F)CCC[NH2+]C1 257892762 573887161 /nfs/dbraw/zinc/88/71/61/573887161.db2.gz XIYFRNBHHCHJPO-JTQLQIEISA-N 2 1 188.290 1.324 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@@H+](C)C1CCC1 127522610 573887840 /nfs/dbraw/zinc/88/78/40/573887840.db2.gz NKDAWWLKHHPZHV-NSHDSACASA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1[C@H](C[NH3+])CC[N@H+]1C(C)(C)C 259219577 573887922 /nfs/dbraw/zinc/88/79/22/573887922.db2.gz CXBMZYKZKKIGAB-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C(C)(C)C 259219592 573887973 /nfs/dbraw/zinc/88/79/73/573887973.db2.gz CXBMZYKZKKIGAB-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP [NH3+]CCCc1[nH+]cc2c(F)cccn12 257893783 573888047 /nfs/dbraw/zinc/88/80/47/573888047.db2.gz XOMJQVVPZVYXHG-UHFFFAOYSA-N 2 1 193.225 1.365 10 0 ADAEMP C[N@@H+](CC[C@H]1CCC[NH2+]1)C1CCC1 127513978 573888052 /nfs/dbraw/zinc/88/80/52/573888052.db2.gz JGMJUVKYKMDTFI-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[C@H](C[NH3+])C[N@@H+](C)C1CCC1 127516007 573888083 /nfs/dbraw/zinc/88/80/83/573888083.db2.gz KZDRFYLLDLZYDN-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](C[C@](C)([NH3+])C1CC1)C1CCC1 127506328 573888350 /nfs/dbraw/zinc/88/83/50/573888350.db2.gz HCZPIHZNHVYGEQ-NSHDSACASA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCC[NH2+]1)C1CCC1 127513747 573888374 /nfs/dbraw/zinc/88/83/74/573888374.db2.gz JGMJUVKYKMDTFI-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP [NH3+][C@H]1CC[C@H](c2[nH]cc[nH+]2)CC1 238561791 573888551 /nfs/dbraw/zinc/88/85/51/573888551.db2.gz DJYYTFMSLFGZJS-OCAPTIKFSA-N 2 1 165.240 1.395 10 0 ADAEMP Nc1cc([C@H]2CC[C@H]([NH3+])C2)cc[nH+]1 238561315 573888637 /nfs/dbraw/zinc/88/86/37/573888637.db2.gz PEQQILOAXQURFI-CBAPKCEASA-N 2 1 177.251 1.259 10 0 ADAEMP C[C@@H](C[NH3+])CCC[N@@H+](C)C1CCC1 127518645 573888672 /nfs/dbraw/zinc/88/86/72/573888672.db2.gz YVGBTOWBSJLTRB-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](CC[NH3+])C[N@@H+](C)C1CCC1 127517056 573889149 /nfs/dbraw/zinc/88/91/49/573889149.db2.gz VNZQLFKSDBNJAD-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1C[C@@H](CC[NH3+])CC[N@H+]1C 76591971 573889229 /nfs/dbraw/zinc/88/92/29/573889229.db2.gz KUGOIOBAWIRKSB-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1C[C@H](CC[NH3+])CC[N@H+]1C 76591966 573889239 /nfs/dbraw/zinc/88/92/39/573889239.db2.gz KUGOIOBAWIRKSB-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](CC[C@H]([NH3+])C1CC1)C1CCC1 127518882 573891681 /nfs/dbraw/zinc/89/16/81/573891681.db2.gz LQOGYTUVARSUFX-NSHDSACASA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)Cc1c[nH]c(C[C@@H](C)C[NH3+])[nH+]1 259221117 573891706 /nfs/dbraw/zinc/89/17/06/573891706.db2.gz ZJUVQPNZCXZYRI-SECBINFHSA-N 2 1 195.310 1.746 10 0 ADAEMP C[C@H](N1CCC[NH2+]CC1)C1(C)CC1 87364810 573891804 /nfs/dbraw/zinc/89/18/04/573891804.db2.gz LVDXUFPGVMSHKT-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CC[C@H](CC2([NH3+])CCCC2)C1 258174088 573891830 /nfs/dbraw/zinc/89/18/30/573891830.db2.gz XRVWKYLZULOUEE-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[C@@H](C[NH3+])C[N@@H+](C)C1CCC1 127515755 573891850 /nfs/dbraw/zinc/89/18/50/573891850.db2.gz KZDRFYLLDLZYDN-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]([NH3+])CC1 76592039 573892005 /nfs/dbraw/zinc/89/20/05/573892005.db2.gz NPTFUEOXDCOHHR-SECBINFHSA-N 2 1 156.273 1.208 10 0 ADAEMP [NH3+]CC[C@H]1CC[N@H+]2CCCC[C@@H]2C1 238562813 573892026 /nfs/dbraw/zinc/89/20/26/573892026.db2.gz KFRXOQLWXHGMOV-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)C[C@@H]1[C@H]([NH3+])CC[N@H+]1C 76592042 573892124 /nfs/dbraw/zinc/89/21/24/573892124.db2.gz FHDVSJSOOGRRCQ-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[NH2+][C@](C)(C[NH3+])C1(C)CC1 87363823 573892370 /nfs/dbraw/zinc/89/23/70/573892370.db2.gz CFWBKRSZGXIMHX-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]2CCC[C@@H]2[C@@H]1[NH3+] 238181103 573892385 /nfs/dbraw/zinc/89/23/85/573892385.db2.gz PWPXIHGVMHDGBO-HBNTYKKESA-N 2 1 182.311 1.454 10 0 ADAEMP CNC[C@@H]1CCC[N@@H+]1C1CCCC1 84447641 573892508 /nfs/dbraw/zinc/89/25/08/573892508.db2.gz ZPYZCTRPQOAJJS-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP CNC[C@@H]1CCC[N@H+]1C1CCCC1 84447641 573892514 /nfs/dbraw/zinc/89/25/14/573892514.db2.gz ZPYZCTRPQOAJJS-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+]1CCC[C@@]2(C1)[C@@H]([NH3+])C2(C)C 76597054 573892684 /nfs/dbraw/zinc/89/26/84/573892684.db2.gz ASCDELDXAMBNNC-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@]2(C1)[C@@H]([NH3+])C2(C)C 76597054 573892689 /nfs/dbraw/zinc/89/26/89/573892689.db2.gz ASCDELDXAMBNNC-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H](C[NH3+])CC[N@@H+](C)C1CCC1 127528031 573892765 /nfs/dbraw/zinc/89/27/65/573892765.db2.gz RQPNWUGDBKVKOG-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C 76592050 573892789 /nfs/dbraw/zinc/89/27/89/573892789.db2.gz FHDVSJSOOGRRCQ-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@H]2CC[NH2+][C@H]2C[C@@H](C)[N@@H+]1C 76596867 573892917 /nfs/dbraw/zinc/89/29/17/573892917.db2.gz RYJCRRILGINBGL-RGOKHQFPSA-N 2 1 168.284 1.077 10 0 ADAEMP CC[NH2+][C@](C)(C[NH3+])CC1CCCC1 689864653 573893176 /nfs/dbraw/zinc/89/31/76/573893176.db2.gz LQVHTADYFCUJPE-NSHDSACASA-N 2 1 184.327 1.894 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]1C[C@@H](C)C[NH3+] 259578285 573894862 /nfs/dbraw/zinc/89/48/62/573894862.db2.gz YJLXIPDGIHGYPF-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP Nc1cc[nH+]c([C@@H]2CCC[C@@H]([NH3+])C2)c1 238563448 573893982 /nfs/dbraw/zinc/89/39/82/573893982.db2.gz UXXCSPGDEHKJDO-RKDXNWHRSA-N 2 1 191.278 1.649 10 0 ADAEMP Cc1ccc[nH+]c1NCC1CC([NH3+])C1 84447827 573894279 /nfs/dbraw/zinc/89/42/79/573894279.db2.gz PSXPRCVFFDAYIB-UHFFFAOYSA-N 2 1 191.278 1.539 10 0 ADAEMP Cc1ccc(NCC2CC([NH3+])C2)[nH+]c1 84447996 573894324 /nfs/dbraw/zinc/89/43/24/573894324.db2.gz LPOHRJZNTJYMGH-UHFFFAOYSA-N 2 1 191.278 1.539 10 0 ADAEMP CC[NH2+][C@@](C)(C[NH3+])CC1CCCC1 689864652 573894458 /nfs/dbraw/zinc/89/44/58/573894458.db2.gz LQVHTADYFCUJPE-LLVKDONJSA-N 2 1 184.327 1.894 10 0 ADAEMP CNC[C@H]1CCC[N@@H+]1C1CCCC1 84447644 573894594 /nfs/dbraw/zinc/89/45/94/573894594.db2.gz ZPYZCTRPQOAJJS-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CNC[C@H]1CCC[N@H+]1C1CCCC1 84447644 573894603 /nfs/dbraw/zinc/89/46/03/573894603.db2.gz ZPYZCTRPQOAJJS-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]([NH3+])CCc1[nH]cc(C2CCC2)[nH+]1 258993416 573894742 /nfs/dbraw/zinc/89/47/42/573894742.db2.gz BHERPLDLKGEIGE-QMMMGPOBSA-N 2 1 193.294 1.957 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]1C[C@H](C)C[NH3+] 259578293 573894752 /nfs/dbraw/zinc/89/47/52/573894752.db2.gz YJLXIPDGIHGYPF-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]CC1([C@H]([NH3+])c2cccnc2)CC1 259578308 573897359 /nfs/dbraw/zinc/89/73/59/573897359.db2.gz VZPJFEUHXKASIT-SNVBAGLBSA-N 2 1 191.278 1.081 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@@]2(C)CCC[NH2+]2)C1 258175167 573896905 /nfs/dbraw/zinc/89/69/05/573896905.db2.gz LTGODKBSCVTDML-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@](C)(C[NH3+])C1(C)CC1 87363821 573897048 /nfs/dbraw/zinc/89/70/48/573897048.db2.gz CFWBKRSZGXIMHX-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@]2(C[NH3+])CC2(C)C)C1 258993041 573897448 /nfs/dbraw/zinc/89/74/48/573897448.db2.gz LMSKAZDXWRAOLL-KOLCDFICSA-N 2 1 182.311 1.313 10 0 ADAEMP Cc1c[nH+]ccc1OC1CC([NH3+])C1 84451665 573897661 /nfs/dbraw/zinc/89/76/61/573897661.db2.gz CCGCDRRMDWHUGO-UHFFFAOYSA-N 2 1 178.235 1.259 10 0 ADAEMP CC(C)[C@H]1[NH2+]CCC[C@@H]1[NH+](C)C 238175538 573900090 /nfs/dbraw/zinc/90/00/90/573900090.db2.gz PWQKEVWVGJUTDV-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP C[N@H+]1CC[C@H](CC2(C[NH3+])CC2)C1 259224163 573899453 /nfs/dbraw/zinc/89/94/53/573899453.db2.gz UMVDKUJLZRRMSM-SECBINFHSA-N 2 1 168.284 1.067 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]Cc1cccc(C)c1 393596685 573899677 /nfs/dbraw/zinc/89/96/77/573899677.db2.gz HVENZXJSFQYWIN-GFCCVEGCSA-N 2 1 192.306 1.822 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CC2)C[C@@]1(C)C[NH3+] 308460929 573899708 /nfs/dbraw/zinc/89/97/08/573899708.db2.gz FOKMRWNKXKTTMX-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccncc1 258992759 573899815 /nfs/dbraw/zinc/89/98/15/573899815.db2.gz PKJVUVGWPKSSNY-WDEREUQCSA-N 2 1 191.278 1.051 10 0 ADAEMP CC[N@@H+]1CC=C(C[NH2+]C2CCCC2)C1 257903561 573899837 /nfs/dbraw/zinc/89/98/37/573899837.db2.gz ATNYOFYWBVRRNZ-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP CC[N@H+]1CC=C(C[NH2+]C2CCCC2)C1 257903561 573899840 /nfs/dbraw/zinc/89/98/40/573899840.db2.gz ATNYOFYWBVRRNZ-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP C[NH2+][C@@H](C)C1=CC[N@H+](C(C)C)CC1 258175710 573899849 /nfs/dbraw/zinc/89/98/49/573899849.db2.gz SLHRXINDBWDMRS-JTQLQIEISA-N 2 1 182.311 1.635 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CC2)C[C@]1(C)C[NH3+] 308460930 573901793 /nfs/dbraw/zinc/90/17/93/573901793.db2.gz FOKMRWNKXKTTMX-JQWIXIFHSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@H]2[NH2+]CCCO2)C1 258176142 573901801 /nfs/dbraw/zinc/90/18/01/573901801.db2.gz SBEKTBFWYIBDBI-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H]2[NH2+]CCCO2)C1 258176142 573901807 /nfs/dbraw/zinc/90/18/07/573901807.db2.gz SBEKTBFWYIBDBI-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP C[C@H](C[C@H]([NH3+])C[NH3+])c1ccccc1 44471859 573904070 /nfs/dbraw/zinc/90/40/70/573904070.db2.gz CKAVSXWCDGVIFT-KOLCDFICSA-N 2 1 178.279 1.466 10 0 ADAEMP C[N@@H+](CCCCC(N)=[NH2+])C1CCC1 127474228 573903457 /nfs/dbraw/zinc/90/34/57/573903457.db2.gz AZYCNKCFXKCHLZ-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP C[NH+](C)[C@@H](CC(C)(C)[NH3+])c1ccc[nH]1 259231082 573903550 /nfs/dbraw/zinc/90/35/50/573903550.db2.gz AURDUIVQGGFQSE-JTQLQIEISA-N 2 1 195.310 1.745 10 0 ADAEMP CCC[N@H+](C[C@@H](C)[NH2+]CC)C1CC1 44471911 573903728 /nfs/dbraw/zinc/90/37/28/573903728.db2.gz PZKUEYGJMDKLNY-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](C[C@@H](C)[NH2+]CC)C1CC1 44471911 573903731 /nfs/dbraw/zinc/90/37/31/573903731.db2.gz PZKUEYGJMDKLNY-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CC[C@@H](C(F)(F)CC[NH3+])C1 257895987 573904129 /nfs/dbraw/zinc/90/41/29/573904129.db2.gz XXDXSHBSGSQXOA-MRVPVSSYSA-N 2 1 192.253 1.312 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+](C)CCC(C)C 44472247 573906003 /nfs/dbraw/zinc/90/60/03/573906003.db2.gz YJCPWNFSWKFGAT-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+]C[C@H](C)C[NH2+]Cc1cncs1 131578926 573905372 /nfs/dbraw/zinc/90/53/72/573905372.db2.gz MMRWDXBUDGRXDE-QMMMGPOBSA-N 2 1 199.323 1.088 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)C[C@@H](C)CC 44380755 573905967 /nfs/dbraw/zinc/90/59/67/573905967.db2.gz FLBPXBFSSUONAM-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@@H]2C[N@H+]1C 238191750 573905646 /nfs/dbraw/zinc/90/56/46/573905646.db2.gz RPZYTJWJAZOYHJ-OUAUKWLOSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+](C)CCC(C)C 44472247 573905997 /nfs/dbraw/zinc/90/59/97/573905997.db2.gz YJCPWNFSWKFGAT-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)C[C@@H](C)CC 44380755 573905962 /nfs/dbraw/zinc/90/59/62/573905962.db2.gz FLBPXBFSSUONAM-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCC[C@@H]1CC 44472152 573907700 /nfs/dbraw/zinc/90/77/00/573907700.db2.gz GVEHPAAGQHNLOH-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP Cc1[nH+]c[nH]c1CCC1([NH3+])CC1 258521315 573907782 /nfs/dbraw/zinc/90/77/82/573907782.db2.gz MITNUSXGUYTKMH-UHFFFAOYSA-N 2 1 165.240 1.142 10 0 ADAEMP Cc1[nH]c[nH+]c1CCC1([NH3+])CC1 258521315 573907787 /nfs/dbraw/zinc/90/77/87/573907787.db2.gz MITNUSXGUYTKMH-UHFFFAOYSA-N 2 1 165.240 1.142 10 0 ADAEMP C[C@H](N)c1cnc([C@H]2CCCN2C)o1 257896610 573907812 /nfs/dbraw/zinc/90/78/12/573907812.db2.gz BMPPNLJUZHSVOQ-JGVFFNPUSA-N 2 1 195.266 1.461 10 0 ADAEMP CC[N@@H+](CCC(N)=[NH2+])CC1CCCC1 44413405 573908051 /nfs/dbraw/zinc/90/80/51/573908051.db2.gz RHKYMBVSBWTZBB-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH3+])C(C)(C)CC1 76629761 573908272 /nfs/dbraw/zinc/90/82/72/573908272.db2.gz AVZAEXPAOPXMHX-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CCC1CC[NH+](C[C@H](C)[NH2+]C)CC1 44472232 573908136 /nfs/dbraw/zinc/90/81/36/573908136.db2.gz VPNVHXIWCPHHPB-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1C[C@]2(C[NH2+]C3(CC3)C2)CC12CC2 257896895 573908149 /nfs/dbraw/zinc/90/81/49/573908149.db2.gz YBIPEVMANGQHOV-JTQLQIEISA-N 2 1 192.306 1.367 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 393570149 573908178 /nfs/dbraw/zinc/90/81/78/573908178.db2.gz VQKLPVMXCBRUDS-UZAOFVRNSA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 393570149 573908182 /nfs/dbraw/zinc/90/81/82/573908182.db2.gz VQKLPVMXCBRUDS-UZAOFVRNSA-N 2 1 180.295 1.246 10 0 ADAEMP [NH3+]C1CC(CC[N@@H+]2CC=CCC2)C1 642836232 573909324 /nfs/dbraw/zinc/90/93/24/573909324.db2.gz FRQOZAMUUMXLAJ-UHFFFAOYSA-N 2 1 180.295 1.376 10 0 ADAEMP N[C@@H]1CCC[N@H+]2CCC[C@H]2C1(F)F 257896921 573909350 /nfs/dbraw/zinc/90/93/50/573909350.db2.gz YBPIWLQNEGFHDE-SFYZADRCSA-N 2 1 190.237 1.207 10 0 ADAEMP [NH3+][C@@H]1CCCN2CCC[C@H]2C1(F)F 257896921 573909355 /nfs/dbraw/zinc/90/93/55/573909355.db2.gz YBPIWLQNEGFHDE-SFYZADRCSA-N 2 1 190.237 1.207 10 0 ADAEMP Cc1c[nH+]cn1[C@H](C[NH3+])C1CCCC1 235799779 573909412 /nfs/dbraw/zinc/90/94/12/573909412.db2.gz LRDIRYWSXMPJCP-LLVKDONJSA-N 2 1 193.294 1.882 10 0 ADAEMP CC[C@H](C[NH3+])C[N@@H+](C)C1CCC1 127552558 573909731 /nfs/dbraw/zinc/90/97/31/573909731.db2.gz JFADTXUKDCPOJM-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[NH3+])C(C)(C)CC1 76629767 573910739 /nfs/dbraw/zinc/91/07/39/573910739.db2.gz AVZAEXPAOPXMHX-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@@H]1CC[NH3+] 259238707 573912687 /nfs/dbraw/zinc/91/26/87/573912687.db2.gz LNFGXFIATCCJHC-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](N)c1cnc([C@H]2CCCN2C)o1 257896609 573911655 /nfs/dbraw/zinc/91/16/55/573911655.db2.gz BMPPNLJUZHSVOQ-HTQZYQBOSA-N 2 1 195.266 1.461 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](C)Cc1cc[nH]c1 259002186 573911659 /nfs/dbraw/zinc/91/16/59/573911659.db2.gz WYMVWQVWSDFUBR-JTQLQIEISA-N 2 1 195.310 1.431 10 0 ADAEMP C[N@@H+](CC1(C[NH3+])CCC1)C1CCC1 127556700 573911750 /nfs/dbraw/zinc/91/17/50/573911750.db2.gz VLKOIXGEARLWLE-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@@H+](CC1(C[NH3+])CC1)C1CCC1 127548659 573911843 /nfs/dbraw/zinc/91/18/43/573911843.db2.gz XKPRFMHPPWOXFP-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)C1CCC1 127557809 573912229 /nfs/dbraw/zinc/91/22/29/573912229.db2.gz QGQMFXARJQLFRC-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)(C)C[C@@H]([NH3+])C[NH+]1CCCC1 258179415 573912613 /nfs/dbraw/zinc/91/26/13/573912613.db2.gz OLRMTGJQVXZYCH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH+](C)[C@@H](c1ccc[nH]1)C(C)(C)C[NH3+] 259239780 573916143 /nfs/dbraw/zinc/91/61/43/573916143.db2.gz BCDVZJNNBOTJCW-JTQLQIEISA-N 2 1 195.310 1.602 10 0 ADAEMP CCCC[N@@H+](C)CC[C@H]1CCC[NH2+]1 42171818 573916370 /nfs/dbraw/zinc/91/63/70/573916370.db2.gz NNBDIAUHQAUKPV-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)C1CCC1 127558021 573915757 /nfs/dbraw/zinc/91/57/57/573915757.db2.gz QGQMFXARJQLFRC-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@]1(C[N@@H+](C)C2CCC2)CC[NH2+]C1 127560660 573915813 /nfs/dbraw/zinc/91/58/13/573915813.db2.gz XZESNOYKSCGGIC-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CC[C@H]1CCC[NH2+]1)C1CC1 42171980 573915983 /nfs/dbraw/zinc/91/59/83/573915983.db2.gz CHVNPZLXYWZBCJ-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[N@@H+](C)C1CCC1 259005420 573916033 /nfs/dbraw/zinc/91/60/33/573916033.db2.gz OGGBPRXXZMPHEJ-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42171864 573917559 /nfs/dbraw/zinc/91/75/59/573917559.db2.gz ZOQMUMXPAAJHAV-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)[N@H+]1CCC=C(C[C@H](C)[NH3+])C1 258180216 573917848 /nfs/dbraw/zinc/91/78/48/573917848.db2.gz SRFDCFWFCLQRHY-JTQLQIEISA-N 2 1 182.311 1.764 10 0 ADAEMP C[NH+](C)[C@H](c1ccc[nH]1)C(C)(C)C[NH3+] 259239784 573918042 /nfs/dbraw/zinc/91/80/42/573918042.db2.gz BCDVZJNNBOTJCW-SNVBAGLBSA-N 2 1 195.310 1.602 10 0 ADAEMP CC(C)C[NH2+][C@]1(C[NH3+])CCC1(C)C 393571755 573918127 /nfs/dbraw/zinc/91/81/27/573918127.db2.gz ZWUPSZDSLVTYPI-NSHDSACASA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[N@@H+](CC)CC[C@@H]1CCC[NH2+]1 42171993 573918137 /nfs/dbraw/zinc/91/81/37/573918137.db2.gz NTNRDVKDYAJGQA-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@H]([NH3+])c1coc([C@@H]2CCC[N@H+]2C)n1 257899900 573919250 /nfs/dbraw/zinc/91/92/50/573919250.db2.gz BRCMGODOPWQOLZ-CBAPKCEASA-N 2 1 195.266 1.461 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[NH2+]C(C)(C)C 257900295 573921362 /nfs/dbraw/zinc/92/13/62/573921362.db2.gz OUBSTVWPZBSDSL-VIFPVBQESA-N 2 1 172.316 1.748 10 0 ADAEMP C[C@H]([NH3+])c1coc([C@@H]2CCC[N@@H+]2C)n1 257899900 573919248 /nfs/dbraw/zinc/91/92/48/573919248.db2.gz BRCMGODOPWQOLZ-CBAPKCEASA-N 2 1 195.266 1.461 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@H]1CCC[NH2+]1 42171866 573919356 /nfs/dbraw/zinc/91/93/56/573919356.db2.gz ZOQMUMXPAAJHAV-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]([NH3+])c1coc([C@H]2CCC[N@@H+]2C)n1 257899902 573919499 /nfs/dbraw/zinc/91/94/99/573919499.db2.gz BRCMGODOPWQOLZ-VXNVDRBHSA-N 2 1 195.266 1.461 10 0 ADAEMP C[C@@H]([NH3+])c1coc([C@H]2CCC[N@H+]2C)n1 257899902 573919505 /nfs/dbraw/zinc/91/95/05/573919505.db2.gz BRCMGODOPWQOLZ-VXNVDRBHSA-N 2 1 195.266 1.461 10 0 ADAEMP CC[NH2+]C(C)(C)C[N@H+](C)C1CCC1 127567245 573919518 /nfs/dbraw/zinc/91/95/18/573919518.db2.gz RJHSBYRZPBGDEQ-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]C(C)(C)C[N@@H+](C)C1CCC1 127567245 573919527 /nfs/dbraw/zinc/91/95/27/573919527.db2.gz RJHSBYRZPBGDEQ-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@](C)(C[NH3+])C[N@@H+](C)C1CCC1 127565739 573919611 /nfs/dbraw/zinc/91/96/11/573919611.db2.gz ATVDRVJLOZFUQE-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172090 573919885 /nfs/dbraw/zinc/91/98/85/573919885.db2.gz JBIZGKWVSCJLQY-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172005 573920067 /nfs/dbraw/zinc/92/00/67/573920067.db2.gz WNHBPXZHGRGSMX-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC(C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172009 573921560 /nfs/dbraw/zinc/92/15/60/573921560.db2.gz WLPRDJLFPXRXIG-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@](F)(C(C)(C)C[NH3+])C1 257900329 573921734 /nfs/dbraw/zinc/92/17/34/573921734.db2.gz YQMPZTVKVRBHQS-JTQLQIEISA-N 2 1 188.290 1.405 10 0 ADAEMP CC(C)[C@@H]1C[C@@H]([NH3+])C[C@@H]2CCC[N@H+]21 238186700 573921754 /nfs/dbraw/zinc/92/17/54/573921754.db2.gz QBXVELHNVWFIRX-DCAQKATOSA-N 2 1 182.311 1.597 10 0 ADAEMP NC[C@@H]1C2CC(C2)[N@H+]1C1CCCCC1 257900384 573923376 /nfs/dbraw/zinc/92/33/76/573923376.db2.gz YRADMZKXBLEESM-QEWOUOOISA-N 2 1 194.322 1.741 10 0 ADAEMP [NH3+]C[C@@H]1C2CC(C2)[N@@H+]1C1CCCCC1 257900384 573923384 /nfs/dbraw/zinc/92/33/84/573923384.db2.gz YRADMZKXBLEESM-QEWOUOOISA-N 2 1 194.322 1.741 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H]1CCCCC[NH2+]1 81002779 573923050 /nfs/dbraw/zinc/92/30/50/573923050.db2.gz AIRRGPGOECNOQK-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCCCC[NH2+]1 81002779 573923052 /nfs/dbraw/zinc/92/30/52/573923052.db2.gz AIRRGPGOECNOQK-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP [NH3+]C[C@@H]1C2CC(C2)[N@H+]1C1CCCCC1 257900384 573923389 /nfs/dbraw/zinc/92/33/89/573923389.db2.gz YRADMZKXBLEESM-QEWOUOOISA-N 2 1 194.322 1.741 10 0 ADAEMP C[N@H+]1CCC[C@](F)(C(C)(C)C[NH3+])C1 257900334 573923221 /nfs/dbraw/zinc/92/32/21/573923221.db2.gz YQMPZTVKVRBHQS-SNVBAGLBSA-N 2 1 188.290 1.405 10 0 ADAEMP C[N@H+]1CC[C@@H](c2csc(C[NH3+])n2)C1 258182465 573924792 /nfs/dbraw/zinc/92/47/92/573924792.db2.gz VFVVBFWSWWTBPZ-SSDOTTSWSA-N 2 1 197.307 1.021 10 0 ADAEMP CC[C@H](C[NH2+]CC[NH3+])CC(F)F 688727627 573924879 /nfs/dbraw/zinc/92/48/79/573924879.db2.gz OPOCNICMQUKVHO-ZETCQYMHSA-N 2 1 180.242 1.216 10 0 ADAEMP CCn1c(N)c[nH+]c1CN1CCCC1 257900333 573925214 /nfs/dbraw/zinc/92/52/14/573925214.db2.gz NYYCZQWQUFULMN-UHFFFAOYSA-N 2 1 194.282 1.081 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[NH2+]C(C)(C)C 257900275 573925340 /nfs/dbraw/zinc/92/53/40/573925340.db2.gz OUBSTVWPZBSDSL-SECBINFHSA-N 2 1 172.316 1.748 10 0 ADAEMP C[C@H](CC[NH3+])C[N@@H+](C)Cc1ccc[nH]1 259012766 573925889 /nfs/dbraw/zinc/92/58/89/573925889.db2.gz XUQHMCTVIIYHDT-SNVBAGLBSA-N 2 1 195.310 1.431 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 81038764 573926063 /nfs/dbraw/zinc/92/60/63/573926063.db2.gz NYUFJTREPQYMGZ-VWYCJHECSA-N 2 1 182.311 1.517 10 0 ADAEMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC1 258458966 573926220 /nfs/dbraw/zinc/92/62/20/573926220.db2.gz GURKKGMCWDUAJH-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC1 258458962 573926248 /nfs/dbraw/zinc/92/62/48/573926248.db2.gz GURKKGMCWDUAJH-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 81065362 573927214 /nfs/dbraw/zinc/92/72/14/573927214.db2.gz SHJCCAYQPZQPHZ-UTUOFQBUSA-N 2 1 198.354 1.948 10 0 ADAEMP C1CC[NH2+][C@H](C[NH2+]C2CC2)CC1 81038152 573927280 /nfs/dbraw/zinc/92/72/80/573927280.db2.gz LAEVKSQUFZPMPF-JTQLQIEISA-N 2 1 168.284 1.271 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1(C)C 238199682 573927485 /nfs/dbraw/zinc/92/74/85/573927485.db2.gz NYKCCFKGSUCJPT-MNOVXSKESA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCCCC[NH2+]2)C1 81038228 573927486 /nfs/dbraw/zinc/92/74/86/573927486.db2.gz QZCFILCEINDLPO-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC[NH2+]2)C1 81038228 573927493 /nfs/dbraw/zinc/92/74/93/573927493.db2.gz QZCFILCEINDLPO-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1(C)C 238199742 573927525 /nfs/dbraw/zinc/92/75/25/573927525.db2.gz KUSSCWBRHIJYFB-MNOVXSKESA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 81065396 573927758 /nfs/dbraw/zinc/92/77/58/573927758.db2.gz SINDYMAHJSJSHP-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1 81065396 573927763 /nfs/dbraw/zinc/92/77/63/573927763.db2.gz SINDYMAHJSJSHP-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@H](C[NH3+])[N@H+](C)C1 258459046 573927778 /nfs/dbraw/zinc/92/77/78/573927778.db2.gz GWAKOEPYYODIIZ-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@H](C[NH3+])[N@@H+](C)C1 258459046 573927782 /nfs/dbraw/zinc/92/77/82/573927782.db2.gz GWAKOEPYYODIIZ-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H](C[NH3+])[N@H+](C)C1 258459051 573927876 /nfs/dbraw/zinc/92/78/76/573927876.db2.gz GWAKOEPYYODIIZ-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H](C[NH3+])[N@@H+](C)C1 258459051 573927881 /nfs/dbraw/zinc/92/78/81/573927881.db2.gz GWAKOEPYYODIIZ-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 81038662 573927910 /nfs/dbraw/zinc/92/79/10/573927910.db2.gz GSCFYZWCHQTNEU-QWRGUYRKSA-N 2 1 196.338 1.907 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2[C@@H]1C 238199266 573927952 /nfs/dbraw/zinc/92/79/52/573927952.db2.gz RIAUEWKBUZSVSP-GARJFASQSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)C[C@H]1C[C@H](C[NH3+])[N@H+](C)C1 258459050 573928615 /nfs/dbraw/zinc/92/86/15/573928615.db2.gz GWAKOEPYYODIIZ-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP 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/nfs/dbraw/zinc/92/94/75/573929475.db2.gz AIRRGPGOECNOQK-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 81065392 573929559 /nfs/dbraw/zinc/92/95/59/573929559.db2.gz SINDYMAHJSJSHP-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1 81065392 573929565 /nfs/dbraw/zinc/92/95/65/573929565.db2.gz SINDYMAHJSJSHP-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@H]1C[C@@H](C[NH3+])[N@H+](C)C1 258459048 573929900 /nfs/dbraw/zinc/92/99/00/573929900.db2.gz GWAKOEPYYODIIZ-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]2[C@@H]1C 238199283 573931010 /nfs/dbraw/zinc/93/10/10/573931010.db2.gz NSNCPDMSPYNVGN-GARJFASQSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[N@H+](C[C@@H]2CCCCC[NH2+]2)C1 81038229 573931226 /nfs/dbraw/zinc/93/12/26/573931226.db2.gz QZCFILCEINDLPO-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCCCC[NH2+]2)C1 81038229 573931233 /nfs/dbraw/zinc/93/12/33/573931233.db2.gz QZCFILCEINDLPO-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)C1(C)C 259190534 573931236 /nfs/dbraw/zinc/93/12/36/573931236.db2.gz BOQAYLICMMUWQE-SECBINFHSA-N 2 1 170.300 1.467 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 235670862 573931322 /nfs/dbraw/zinc/93/13/22/573931322.db2.gz OEDPTXPMGHZVOQ-USZNOCQGSA-N 2 1 196.338 1.572 10 0 ADAEMP Cc1cn([C@H](C)C[C@@H](C)[NH3+])c(C)[nH+]1 715071990 573931815 /nfs/dbraw/zinc/93/18/15/573931815.db2.gz KPIXHNWSWAXHRB-VXNVDRBHSA-N 2 1 181.283 1.798 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1C 238199321 573931619 /nfs/dbraw/zinc/93/16/19/573931619.db2.gz UKCXTSUVVGIFDL-AXFHLTTASA-N 2 1 182.311 1.467 10 0 ADAEMP CC(=O)CC[C@H]([NH3+])[C@H]1CCC[N@H+](C)C1 259242751 573931738 /nfs/dbraw/zinc/93/17/38/573931738.db2.gz GAKOSGHRCFGGMJ-QWRGUYRKSA-N 2 1 198.310 1.025 10 0 ADAEMP CC[N@H+]1C[C@@H](CC[NH3+])CCC1(C)C 259586482 573932922 /nfs/dbraw/zinc/93/29/22/573932922.db2.gz ZQVWWOXFVRMZKU-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1C[C@H]1C[NH3+] 715073978 573932986 /nfs/dbraw/zinc/93/29/86/573932986.db2.gz AQCWRQJIKPDUFK-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[NH2+][C@@H](C[N@H+](C)C(C)C)C(C)C 87527732 573936102 /nfs/dbraw/zinc/93/61/02/573936102.db2.gz UOVMSWBAPPWILT-NSHDSACASA-N 2 1 186.343 1.961 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]CCCc1ccco1 393598636 573934709 /nfs/dbraw/zinc/93/47/09/573934709.db2.gz MJMTYWXEUJPLEO-JTQLQIEISA-N 2 1 196.294 1.539 10 0 ADAEMP CC[NH2+][C@@H](C[N@@H+](C)C(C)C)C(C)C 87527732 573936106 /nfs/dbraw/zinc/93/61/06/573936106.db2.gz UOVMSWBAPPWILT-NSHDSACASA-N 2 1 186.343 1.961 10 0 ADAEMP CC(C)C1([C@@H](C[NH3+])[NH+]2CCC2)CCC1 686132418 573934748 /nfs/dbraw/zinc/93/47/48/573934748.db2.gz IEHRZPBASOJECO-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH3+])CC1(C)C 259586492 573934970 /nfs/dbraw/zinc/93/49/70/573934970.db2.gz ZQXVZEZNTHTZFJ-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H](C[NH3+])[NH2+]C(C)(C)C 258460448 573934996 /nfs/dbraw/zinc/93/49/96/573934996.db2.gz HBWGCRRVNYRKEO-QMMMGPOBSA-N 2 1 158.289 1.358 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)C2CCC2)CC1 259016852 573935252 /nfs/dbraw/zinc/93/52/52/573935252.db2.gz YBTDNBPZFOMHET-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1C[C@H](CC[NH3+])CCC1(C)C 259586480 573935545 /nfs/dbraw/zinc/93/55/45/573935545.db2.gz ZQVWWOXFVRMZKU-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]CCCC(F)(F)F 393599092 573935622 /nfs/dbraw/zinc/93/56/22/573935622.db2.gz NMMBKLQEFTUBOG-ZETCQYMHSA-N 2 1 198.232 1.656 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])Cn1c[nH+]c(C)c1C 87531814 573935643 /nfs/dbraw/zinc/93/56/43/573935643.db2.gz TULDCCHKCHPICX-LDYMZIIASA-N 2 1 195.310 1.873 10 0 ADAEMP Cc1[nH+]cn(C[C@@H]([NH3+])C(C)C)c1C 87531828 573935717 /nfs/dbraw/zinc/93/57/17/573935717.db2.gz RSONVJUMONOJMA-SNVBAGLBSA-N 2 1 181.283 1.483 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2CC[NH2+]C[C@@H]2[C@@H]1C 238197094 573935862 /nfs/dbraw/zinc/93/58/62/573935862.db2.gz IVJPNRUYGYLSLD-SDDRHHMPSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC[N@@H+](CC)C[C@H]1C[C@@H]1C[NH3+] 715073974 573936160 /nfs/dbraw/zinc/93/61/60/573936160.db2.gz AQCWRQJIKPDUFK-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP Cc1cn([C@H](C)C[C@H](C)[NH3+])c(C)[nH+]1 715071989 573936215 /nfs/dbraw/zinc/93/62/15/573936215.db2.gz KPIXHNWSWAXHRB-IONNQARKSA-N 2 1 181.283 1.798 10 0 ADAEMP C[NH2+][C@@H](C)Cn1cc(C)[nH+]c1C 715072244 573938145 /nfs/dbraw/zinc/93/81/45/573938145.db2.gz QEDIIUDQAAGQES-ZETCQYMHSA-N 2 1 167.256 1.108 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1n1cc(C)[nH+]c1C 715074583 573938186 /nfs/dbraw/zinc/93/81/86/573938186.db2.gz CGXBCOREGLZIJN-QWRGUYRKSA-N 2 1 193.294 1.813 10 0 ADAEMP CCC[N@@H+]1CCC2CC1(C[NH3+])C2 238215211 573939135 /nfs/dbraw/zinc/93/91/35/573939135.db2.gz MVVPBPZOMRHMEP-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](n2cc(C)[nH+]c2C)C1 715075763 573939140 /nfs/dbraw/zinc/93/91/40/573939140.db2.gz JFYOELXDEDONGF-WDEREUQCSA-N 2 1 193.294 1.813 10 0 ADAEMP CCC[N@H+]1CCC2CC1(C[NH3+])C2 238215211 573939144 /nfs/dbraw/zinc/93/91/44/573939144.db2.gz MVVPBPZOMRHMEP-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP C[NH2+]Cc1cnc([C@H]2CCCC[NH2+]2)o1 257906829 573939186 /nfs/dbraw/zinc/93/91/86/573939186.db2.gz CGYQGQGVZRVDSU-SECBINFHSA-N 2 1 195.266 1.209 10 0 ADAEMP Cc1cccc(C[NH+]2CC(C[NH3+])C2)c1 84987798 573939219 /nfs/dbraw/zinc/93/92/19/573939219.db2.gz ORDUORKYEXMDEY-UHFFFAOYSA-N 2 1 190.290 1.386 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](CC)C1CC1 42409496 573939233 /nfs/dbraw/zinc/93/92/33/573939233.db2.gz CKZCEBSFWCZLFK-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1n1cc(C)[nH+]c1C 715074581 573939290 /nfs/dbraw/zinc/93/92/90/573939290.db2.gz CGXBCOREGLZIJN-GHMZBOCLSA-N 2 1 193.294 1.813 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@H+]1CC2CCC1CC2 308467843 573939682 /nfs/dbraw/zinc/93/96/82/573939682.db2.gz GULNNAGHWJYKEI-VOMCLLRMSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[NH2+]CCC[N@@H+](C)C(C)C 42409239 573939557 /nfs/dbraw/zinc/93/95/57/573939557.db2.gz SGXOVVZGKNNAMH-UHFFFAOYSA-N 2 1 158.289 1.326 10 0 ADAEMP C[N@H+]1CCCC[C@H]1CC1([NH3+])CCC1 258184675 573941892 /nfs/dbraw/zinc/94/18/92/573941892.db2.gz YFIRFZLAVCJVAJ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC[NH2+]CCC[N@@H+](CC)CC(C)C 42409477 573941926 /nfs/dbraw/zinc/94/19/26/573941926.db2.gz MUKJYXHRIYSXLT-UHFFFAOYSA-N 2 1 186.343 1.964 10 0 ADAEMP Cc1cn(C[C@@H]([NH3+])C(C)(C)C)c(C)[nH+]1 715078118 573942827 /nfs/dbraw/zinc/94/28/27/573942827.db2.gz WZJXDXCXMYYDIG-SNVBAGLBSA-N 2 1 195.310 1.873 10 0 ADAEMP C[N@@H+]1CCC[C@](F)(C(C)(C)[NH3+])C1 257907557 573943919 /nfs/dbraw/zinc/94/39/19/573943919.db2.gz PUTOVFZIODSHFA-SECBINFHSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CCC[C@@H]1CC 42409126 573943880 /nfs/dbraw/zinc/94/38/80/573943880.db2.gz JMFMBBICMWFZRD-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259245918 573943636 /nfs/dbraw/zinc/94/36/36/573943636.db2.gz FAABOPQAJYKJGX-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CCC[C@@H](C)C1 42409221 573943686 /nfs/dbraw/zinc/94/36/86/573943686.db2.gz YGYVOHQSIUYUKF-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[NH2+]CCC[N@@H+](CC)C(C)C 42409487 573943717 /nfs/dbraw/zinc/94/37/17/573943717.db2.gz ZPVNGCJMDSGKJT-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP C[N@H+]1CCC[C@](F)(C(C)(C)[NH3+])C1 257907557 573943924 /nfs/dbraw/zinc/94/39/24/573943924.db2.gz PUTOVFZIODSHFA-SECBINFHSA-N 2 1 174.263 1.158 10 0 ADAEMP CC1([C@H]([NH3+])Cc2cc[nH+]c(N)c2)CC1 87550843 573943931 /nfs/dbraw/zinc/94/39/31/573943931.db2.gz DAZNLFNXYSCLIL-SECBINFHSA-N 2 1 191.278 1.334 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](C)C(C)C 42409238 573943959 /nfs/dbraw/zinc/94/39/59/573943959.db2.gz RTXBNKVTCPPMRB-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](C)C1CC1 42409499 573944023 /nfs/dbraw/zinc/94/40/23/573944023.db2.gz XLTMOEVTKVOXJO-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)C1CC1 127776618 573944036 /nfs/dbraw/zinc/94/40/36/573944036.db2.gz OLYYYNDIUJNYSL-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[N@@H+](C)CCC[NH2+]CC 42409517 573944068 /nfs/dbraw/zinc/94/40/68/573944068.db2.gz TXLOBFBWLIXGIS-UHFFFAOYSA-N 2 1 158.289 1.328 10 0 ADAEMP CCC[N@@H+](CC)CCC[NH2+]CC 42409509 573944082 /nfs/dbraw/zinc/94/40/82/573944082.db2.gz VYHGUKQDLFIQCF-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H]([NH3+])CC 127779987 573944095 /nfs/dbraw/zinc/94/40/95/573944095.db2.gz CZLWIPYEUKTILN-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](F)C(C)(C)[NH3+] 308470075 573944142 /nfs/dbraw/zinc/94/41/42/573944142.db2.gz BJYRTTWDMLELIA-QMMMGPOBSA-N 2 1 199.273 1.521 10 0 ADAEMP CCc1[nH+]ccn1CCCC[NH3+] 42419610 573945212 /nfs/dbraw/zinc/94/52/12/573945212.db2.gz TXUFLAREPVMLHM-UHFFFAOYSA-N 2 1 167.256 1.184 10 0 ADAEMP CCCC[N@@H+](C)C[C@@H]1C[C@H]1C[NH3+] 715077702 573945260 /nfs/dbraw/zinc/94/52/60/573945260.db2.gz OKBLQNNNGNTSJM-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H](C)C(N)=[NH2+] 42419899 573945279 /nfs/dbraw/zinc/94/52/79/573945279.db2.gz SQQJHCLTUYSICA-SSDOTTSWSA-N 2 1 180.255 1.018 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H](F)C(C)(C)[NH3+] 308470074 573945323 /nfs/dbraw/zinc/94/53/23/573945323.db2.gz BJYRTTWDMLELIA-MRVPVSSYSA-N 2 1 199.273 1.521 10 0 ADAEMP CCc1[nH+]ccn1[C@H](CC)CC(N)=[NH2+] 42419902 573945334 /nfs/dbraw/zinc/94/53/34/573945334.db2.gz XAPWVIWANKHGLF-MRVPVSSYSA-N 2 1 194.282 1.723 10 0 ADAEMP CC1([C@H]([NH3+])c2c[nH+]ccc2N)CC1 87550559 573946753 /nfs/dbraw/zinc/94/67/53/573946753.db2.gz VBTPWDSCCOTYFS-SECBINFHSA-N 2 1 177.251 1.464 10 0 ADAEMP CC[N@H+]1CCC=C(CC[NH2+]C2CC2)C1 257913777 573946792 /nfs/dbraw/zinc/94/67/92/573946792.db2.gz BMQICTICMIJQJY-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP CCC[N@H+]1CC2CC(C2)[C@H]1C[NH3+] 258522796 573949134 /nfs/dbraw/zinc/94/91/34/573949134.db2.gz MLHYUAGDROWDCX-UDNWOFFPSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@@H+]1C[C@@H](C2CCCC2)C[C@H]1C[NH3+] 257914037 573949206 /nfs/dbraw/zinc/94/92/06/573949206.db2.gz QRHRDCIJVFBQBV-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@@H](C2CCCC2)C[C@H]1C[NH3+] 257914037 573949208 /nfs/dbraw/zinc/94/92/08/573949208.db2.gz QRHRDCIJVFBQBV-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014546 573950490 /nfs/dbraw/zinc/95/04/90/573950490.db2.gz FWZHXYJONBMQBG-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 123173153 573948460 /nfs/dbraw/zinc/94/84/60/573948460.db2.gz KSIYWGVNJXYSJK-CHWFTXMASA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 123173153 573948461 /nfs/dbraw/zinc/94/84/61/573948461.db2.gz KSIYWGVNJXYSJK-CHWFTXMASA-N 2 1 180.295 1.221 10 0 ADAEMP CCC[N@@H+]1CC2CC(C2)[C@@H]1C[NH3+] 258522792 573948547 /nfs/dbraw/zinc/94/85/47/573948547.db2.gz MLHYUAGDROWDCX-RTBKNWGFSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[N@H+]1CC2CC(C2)[C@@H]1C[NH3+] 258522792 573948551 /nfs/dbraw/zinc/94/85/51/573948551.db2.gz MLHYUAGDROWDCX-RTBKNWGFSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 223590308 573949117 /nfs/dbraw/zinc/94/91/17/573949117.db2.gz OSAXKJJOBSWIBR-QCNOEVLYSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 223590308 573949121 /nfs/dbraw/zinc/94/91/21/573949121.db2.gz OSAXKJJOBSWIBR-QCNOEVLYSA-N 2 1 196.338 1.857 10 0 ADAEMP CCC[N@@H+]1CC2CC(C2)[C@H]1C[NH3+] 258522796 573949128 /nfs/dbraw/zinc/94/91/28/573949128.db2.gz MLHYUAGDROWDCX-UDNWOFFPSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@]2(C[NH3+])CC2(C)C)C1 259025482 573949447 /nfs/dbraw/zinc/94/94/47/573949447.db2.gz QNNNIUFAXNRKHK-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP CC1=C2CCC[N@@H+]3CCC[C@@H](C[NH2+]1)[C@@H]23 238215345 573949485 /nfs/dbraw/zinc/94/94/85/573949485.db2.gz BERVEFHRGWGBMY-JQWIXIFHSA-N 2 1 192.306 1.738 10 0 ADAEMP CC1=C2CCC[N@H+]3CCC[C@@H](C[NH2+]1)[C@@H]23 238215345 573949489 /nfs/dbraw/zinc/94/94/89/573949489.db2.gz BERVEFHRGWGBMY-JQWIXIFHSA-N 2 1 192.306 1.738 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCCC2)C[C@H]1C[NH3+] 257914034 573949528 /nfs/dbraw/zinc/94/95/28/573949528.db2.gz QRHRDCIJVFBQBV-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCC2)C[C@H]1C[NH3+] 257914034 573949532 /nfs/dbraw/zinc/94/95/32/573949532.db2.gz QRHRDCIJVFBQBV-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H](c1c[nH+]ccc1N)C1(C)CC1 87551453 573949603 /nfs/dbraw/zinc/94/96/03/573949603.db2.gz YGOFOQOVBHOWFF-JTQLQIEISA-N 2 1 191.278 1.724 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCCC2)C[C@@H]1C[NH3+] 257914031 573949636 /nfs/dbraw/zinc/94/96/36/573949636.db2.gz QRHRDCIJVFBQBV-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCC2)C[C@@H]1C[NH3+] 257914031 573949639 /nfs/dbraw/zinc/94/96/39/573949639.db2.gz QRHRDCIJVFBQBV-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]CC1=CCC[N@H+](C(C)C)C1 257914114 573949679 /nfs/dbraw/zinc/94/96/79/573949679.db2.gz BPINKHDRMYIBCA-UHFFFAOYSA-N 2 1 168.284 1.246 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@]2(C[NH3+])CC2(C)C)C1 259025476 573949757 /nfs/dbraw/zinc/94/97/57/573949757.db2.gz QNNNIUFAXNRKHK-JQWIXIFHSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@]2(C[NH3+])CC2(C)C)C1 259025479 573949767 /nfs/dbraw/zinc/94/97/67/573949767.db2.gz QNNNIUFAXNRKHK-PWSUYJOCSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716488929 573950471 /nfs/dbraw/zinc/95/04/71/573950471.db2.gz XTZVUWQLEHEDQS-SVNGYHJRSA-N 2 1 196.338 1.605 10 0 ADAEMP C[N@@H+]1C[C@@H](C2CCCC2)C[C@@H]1C[NH3+] 257914040 573950116 /nfs/dbraw/zinc/95/01/16/573950116.db2.gz QRHRDCIJVFBQBV-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1C[C@@H](C2CCCC2)C[C@@H]1C[NH3+] 257914040 573950120 /nfs/dbraw/zinc/95/01/20/573950120.db2.gz QRHRDCIJVFBQBV-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716488921 573950139 /nfs/dbraw/zinc/95/01/39/573950139.db2.gz XTZVUWQLEHEDQS-ROHXPCBUSA-N 2 1 196.338 1.605 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)C1(C)CC1 87551451 573950189 /nfs/dbraw/zinc/95/01/89/573950189.db2.gz YGOFOQOVBHOWFF-SNVBAGLBSA-N 2 1 191.278 1.724 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85015834 573950737 /nfs/dbraw/zinc/95/07/37/573950737.db2.gz ARXOTWVFEIJPQT-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 85014505 573950841 /nfs/dbraw/zinc/95/08/41/573950841.db2.gz RLSOANLAWUSGAM-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 85014356 573950860 /nfs/dbraw/zinc/95/08/60/573950860.db2.gz JASJEHMCIQTTJH-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 85015021 573953113 /nfs/dbraw/zinc/95/31/13/573953113.db2.gz FEGLCDYASZZKDP-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](C[C@H]1CC[C@H]([NH3+])C1)C1CC1 85014507 573953174 /nfs/dbraw/zinc/95/31/74/573953174.db2.gz RLSOANLAWUSGAM-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@@H+](CCC(C)C)C[C@H](C)C[NH3+] 42442917 573953175 /nfs/dbraw/zinc/95/31/75/573953175.db2.gz OHBFIMUXYCTJIK-LLVKDONJSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])Cc1ccco1 42445390 573953050 /nfs/dbraw/zinc/95/30/50/573953050.db2.gz XEKVXVHCZLNKMD-UHFFFAOYSA-N 2 1 196.294 1.840 10 0 ADAEMP [NH3+]C[C@]1(F)CCC[N@@H+]2CCCC[C@@H]21 257910248 573952614 /nfs/dbraw/zinc/95/26/14/573952614.db2.gz QFJGVCQDUSGUAB-NXEZZACHSA-N 2 1 186.274 1.302 10 0 ADAEMP [NH3+]C[C@]1(F)CCC[N@H+]2CCCC[C@@H]21 257910248 573952619 /nfs/dbraw/zinc/95/26/19/573952619.db2.gz QFJGVCQDUSGUAB-NXEZZACHSA-N 2 1 186.274 1.302 10 0 ADAEMP C[C@H]([NH3+])[C@](C)(F)[C@H]1CC[N@@H+](C)C1 257915598 573952713 /nfs/dbraw/zinc/95/27/13/573952713.db2.gz QSNIJLBFEFOTDH-CIUDSAMLSA-N 2 1 174.263 1.014 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)Cc1ccoc1 42447829 573952843 /nfs/dbraw/zinc/95/28/43/573952843.db2.gz RYUWAZDBLKEIHE-LLVKDONJSA-N 2 1 196.294 1.839 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 85015837 573952939 /nfs/dbraw/zinc/95/29/39/573952939.db2.gz ARXOTWVFEIJPQT-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85014763 573953017 /nfs/dbraw/zinc/95/30/17/573953017.db2.gz HRQWDDFOTCAHMA-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 85014296 573953029 /nfs/dbraw/zinc/95/30/29/573953029.db2.gz FNQKEVPKGIOMTM-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 42427330 573954427 /nfs/dbraw/zinc/95/44/27/573954427.db2.gz NTDRMBKTRZBEPI-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C[NH3+])[C@@H]1C 715088560 573954441 /nfs/dbraw/zinc/95/44/41/573954441.db2.gz CXQQBFLCYOIEPE-ZNSHCXBVSA-N 2 1 182.311 1.312 10 0 ADAEMP [NH3+]C[C@@]1(F)CCC[N@@H+]2CCCC[C@@H]21 257910259 573954107 /nfs/dbraw/zinc/95/41/07/573954107.db2.gz QFJGVCQDUSGUAB-ZJUUUORDSA-N 2 1 186.274 1.302 10 0 ADAEMP [NH3+]C[C@@]1(F)CCC[N@H+]2CCCC[C@@H]21 257910259 573954113 /nfs/dbraw/zinc/95/41/13/573954113.db2.gz QFJGVCQDUSGUAB-ZJUUUORDSA-N 2 1 186.274 1.302 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1C 642825236 573954234 /nfs/dbraw/zinc/95/42/34/573954234.db2.gz USZVNRSADLUKKW-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+][C@H](c1ccccc1C)C(C)(C)[NH3+] 259249796 573954271 /nfs/dbraw/zinc/95/42/71/573954271.db2.gz GHVDEMRVVAWAAQ-LLVKDONJSA-N 2 1 192.306 1.993 10 0 ADAEMP CC(C)CC[N@@H+](C)CCCC[NH3+] 42453672 573957055 /nfs/dbraw/zinc/95/70/55/573957055.db2.gz XSROEFJHQUMLKE-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1CC1(C)C 45135329 573956181 /nfs/dbraw/zinc/95/61/81/573956181.db2.gz YQWXYLFXBYRHQY-LPEHRKFASA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[NH2+][C@H]1CC1(C)C 45137968 573956227 /nfs/dbraw/zinc/95/62/27/573956227.db2.gz RTEWQVRNMMBHFZ-ZJUUUORDSA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@H](C2CC2)C1 81641769 573956238 /nfs/dbraw/zinc/95/62/38/573956238.db2.gz LLEJDSCSRHYJPF-WDEREUQCSA-N 2 1 182.311 1.504 10 0 ADAEMP CC[C@H]([NH3+])CC[NH2+]Cc1ccc(C)o1 127876702 573956310 /nfs/dbraw/zinc/95/63/10/573956310.db2.gz STHJHXJKTRXBBD-JTQLQIEISA-N 2 1 196.294 1.805 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)CC1CCC1 127881509 573956456 /nfs/dbraw/zinc/95/64/56/573956456.db2.gz JWRGYJXRATXEOV-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[NH2+]CC[C@H]1CC[N@@H+](C)C1 259252048 573956501 /nfs/dbraw/zinc/95/65/01/573956501.db2.gz WQUURCUUUYUEKT-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC(C)[NH2+]CC[NH2+][C@H]1CC1(C)C 45137659 573956542 /nfs/dbraw/zinc/95/65/42/573956542.db2.gz CEWJHLHJVLHGON-VIFPVBQESA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+]CC1(C[C@H]2CC[N@@H+](C)C2)CCC1 259249966 573956630 /nfs/dbraw/zinc/95/66/30/573956630.db2.gz WNRVVOGXPHFILB-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH2+][C@H]1CC1(C)C 45137970 573956890 /nfs/dbraw/zinc/95/68/90/573956890.db2.gz RTEWQVRNMMBHFZ-UWVGGRQHSA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@@H](C[NH3+])[C@@]1(F)CCC[N@@H+](C)C1 257911448 573956975 /nfs/dbraw/zinc/95/69/75/573956975.db2.gz QHZWVWLDNUINRT-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CCC[NH2+]CC[NH2+][C@@H]1CC1(C)C 45137848 573956984 /nfs/dbraw/zinc/95/69/84/573956984.db2.gz YODGBDYNZUZECG-SECBINFHSA-N 2 1 170.300 1.374 10 0 ADAEMP CC(C)[NH2+]CC[NH2+][C@@H]1CC1(C)C 45137657 573958224 /nfs/dbraw/zinc/95/82/24/573958224.db2.gz CEWJHLHJVLHGON-SECBINFHSA-N 2 1 170.300 1.373 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)CC1CCC1 127881296 573958306 /nfs/dbraw/zinc/95/83/06/573958306.db2.gz JWRGYJXRATXEOV-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@H+](C)C1CCC1 127879036 573958318 /nfs/dbraw/zinc/95/83/18/573958318.db2.gz ACKVCXKWTJEGAW-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+]C[C@H](C)[N@@H+](C)C1CCC1 127879036 573958324 /nfs/dbraw/zinc/95/83/24/573958324.db2.gz ACKVCXKWTJEGAW-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+]CC1(C[C@@H]2CC[N@@H+](C)C2)CCC1 259249968 573958406 /nfs/dbraw/zinc/95/84/06/573958406.db2.gz WNRVVOGXPHFILB-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]CC[NH2+]C1CCCC1 45137675 573958503 /nfs/dbraw/zinc/95/85/03/573958503.db2.gz FBQSKFSTCSXLLT-LLVKDONJSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC(CC)(C[NH3+])[N@@H+](C)CCOC 42458784 573958529 /nfs/dbraw/zinc/95/85/29/573958529.db2.gz WMCPYIMVRCFYTP-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@H+](C)C1CCC1 127878798 573960756 /nfs/dbraw/zinc/96/07/56/573960756.db2.gz ACKVCXKWTJEGAW-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@H+](C)C1CCC1 127880306 573959592 /nfs/dbraw/zinc/95/95/92/573959592.db2.gz KNWIYQGATWIXLX-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+]C[C@@H](C)[N@@H+](C)C1CCC1 127880306 573959598 /nfs/dbraw/zinc/95/95/98/573959598.db2.gz KNWIYQGATWIXLX-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](CC)C[NH2+]C 259028671 573959685 /nfs/dbraw/zinc/95/96/85/573959685.db2.gz QGKYYXGENTXSFX-JTQLQIEISA-N 2 1 172.316 1.574 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](CC)CCOC 42492063 573959714 /nfs/dbraw/zinc/95/97/14/573959714.db2.gz OAYUWYGQGZNHHY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@H+](C)C1CCC1 127883723 573959765 /nfs/dbraw/zinc/95/97/65/573959765.db2.gz KDVWSDNITDKYEM-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP C[C@@H]1CC[N@@H+](C/C=C/C[NH3+])[C@H](C)C1 85054996 573962088 /nfs/dbraw/zinc/96/20/88/573962088.db2.gz AMDMXTGHSSYBCP-YIZUVKHSSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)[NH2+]C[C@H](C)[N@@H+](C)C1CCC1 127883723 573959771 /nfs/dbraw/zinc/95/97/71/573959771.db2.gz KDVWSDNITDKYEM-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+](CC)CCOC 42492864 573959915 /nfs/dbraw/zinc/95/99/15/573959915.db2.gz UIPACCLIGTVWJT-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+](CC)CCOC 42492864 573959921 /nfs/dbraw/zinc/95/99/21/573959921.db2.gz UIPACCLIGTVWJT-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](C/C=C/C[NH3+])C1 85054726 573960340 /nfs/dbraw/zinc/96/03/40/573960340.db2.gz VZNQFBKYLQRWIF-VMDCKITASA-N 2 1 182.311 1.479 10 0 ADAEMP CC[C@@H]([NH3+])CC[NH2+]Cc1ccc(C)o1 127876908 573960301 /nfs/dbraw/zinc/96/03/01/573960301.db2.gz STHJHXJKTRXBBD-SNVBAGLBSA-N 2 1 196.294 1.805 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+](CC)CCOC 42492866 573960389 /nfs/dbraw/zinc/96/03/89/573960389.db2.gz UIPACCLIGTVWJT-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@@H+](CC)CCOC 42492866 573960391 /nfs/dbraw/zinc/96/03/91/573960391.db2.gz UIPACCLIGTVWJT-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H](C[N@@H+](C)CCC(C)(C)C)C(N)=[NH2+] 42459830 573962129 /nfs/dbraw/zinc/96/21/29/573962129.db2.gz MJSCBKWDIUMINY-SECBINFHSA-N 2 1 199.342 1.926 10 0 ADAEMP CCC[NH2+]C[C@@H](C)[N@@H+](C)C1CCC1 127878798 573960762 /nfs/dbraw/zinc/96/07/62/573960762.db2.gz ACKVCXKWTJEGAW-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH+](CC)Cc1c[nH+]ccc1N 257920986 573960972 /nfs/dbraw/zinc/96/09/72/573960972.db2.gz RNVCZLXDPNQFLU-UHFFFAOYSA-N 2 1 179.267 1.506 10 0 ADAEMP C[C@H]1CCC[N@@H+](C/C=C/C[NH3+])C1 85054740 573961140 /nfs/dbraw/zinc/96/11/40/573961140.db2.gz GIMCZMZOBXUMPR-PBKGFPTLSA-N 2 1 168.284 1.233 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@H+](CC)CCOC 42492867 573961396 /nfs/dbraw/zinc/96/13/96/573961396.db2.gz UIPACCLIGTVWJT-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@@H+](CC)CCOC 42492867 573961401 /nfs/dbraw/zinc/96/14/01/573961401.db2.gz UIPACCLIGTVWJT-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](CC)CCOC 42492062 573961497 /nfs/dbraw/zinc/96/14/97/573961497.db2.gz OAYUWYGQGZNHHY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]C1CCC1)C1CCCC1 257921007 573961655 /nfs/dbraw/zinc/96/16/55/573961655.db2.gz ROLPRPREISWKME-LLVKDONJSA-N 2 1 182.311 1.646 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@H]1C[NH3+])C1CCC1 715092873 573961839 /nfs/dbraw/zinc/96/18/39/573961839.db2.gz GARFFYABSGLSMY-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@@H+](C[C@H]1C[C@H]1C[NH3+])C1CCC1 715092877 573961908 /nfs/dbraw/zinc/96/19/08/573961908.db2.gz GARFFYABSGLSMY-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)[N@H+](C)[C@@H](C)COC 42518081 573965193 /nfs/dbraw/zinc/96/51/93/573965193.db2.gz ARGNSYGQYXHRPW-IVZWLZJFSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)[N@@H+](C)[C@@H](C)COC 42518081 573965197 /nfs/dbraw/zinc/96/51/97/573965197.db2.gz ARGNSYGQYXHRPW-IVZWLZJFSA-N 2 1 188.315 1.079 10 0 ADAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])C(C)C 42529706 573965414 /nfs/dbraw/zinc/96/54/14/573965414.db2.gz ODQIRIGXYORZLR-UHFFFAOYSA-N 2 1 185.315 1.679 10 0 ADAEMP C[N@H+]1CC[C@H](CCC2([NH3+])CCC2)C1 258192345 573964287 /nfs/dbraw/zinc/96/42/87/573964287.db2.gz YSFZMLCWQVOGTP-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C/C=C/C[NH3+])CC1 85055123 573964424 /nfs/dbraw/zinc/96/44/24/573964424.db2.gz YZOPMSQPTNCQSW-KXMPLOMGSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@@H]1[N@@H+](C)C1CCC1 127896714 573964465 /nfs/dbraw/zinc/96/44/65/573964465.db2.gz MSJFZEPOVGMNKZ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1CC[C@H]([NH3+])CC 127798466 573964507 /nfs/dbraw/zinc/96/45/07/573964507.db2.gz SIFMEBFEYRBIFW-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP C[N@@H+](Cc1ccoc1C[NH3+])C1CCC1 127893895 573964551 /nfs/dbraw/zinc/96/45/51/573964551.db2.gz ICIMIISOUNQVQQ-UHFFFAOYSA-N 2 1 194.278 1.723 10 0 ADAEMP [NH3+]C/C=C/C[N@H+]1CCC[C@@H]2CCC[C@H]21 85055212 573964578 /nfs/dbraw/zinc/96/45/78/573964578.db2.gz LYNOOKHKIHOOOS-FGXISPTISA-N 2 1 194.322 1.766 10 0 ADAEMP CC1(C)CCC[N@@H+](C/C=C/C[NH3+])C1 85055165 573964604 /nfs/dbraw/zinc/96/46/04/573964604.db2.gz MLQVUHZHLNLIGI-ONEGZZNKSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@@H+](C)[C@@H](C)COC 42517498 573964653 /nfs/dbraw/zinc/96/46/53/573964653.db2.gz MVPDFJDVZNGXDG-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1C/C=C/C[NH3+] 85055174 573964773 /nfs/dbraw/zinc/96/47/73/573964773.db2.gz RXJYJWARVYQCHN-MALLOTDXSA-N 2 1 182.311 1.766 10 0 ADAEMP C[N@@H+](C/C=C/C[NH3+])Cc1ccccc1 85054751 573964939 /nfs/dbraw/zinc/96/49/39/573964939.db2.gz LMRBGJWBHKIKBQ-AATRIKPKSA-N 2 1 190.290 1.633 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1C/C=C/C[NH3+] 85054764 573965035 /nfs/dbraw/zinc/96/50/35/573965035.db2.gz DIYGAYLDCRJHSC-VMDCKITASA-N 2 1 182.311 1.764 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@@H+](C/C=C/C[NH3+])C1 85055229 573964977 /nfs/dbraw/zinc/96/49/77/573964977.db2.gz LSHLOTOOANCRMY-MJKAUQOVSA-N 2 1 182.311 1.622 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+]1CCC[C@@H]1C 127798006 573965021 /nfs/dbraw/zinc/96/50/21/573965021.db2.gz QMJRFGDCRGRRBT-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](CC[NH3+])[N@@H+](C)[C@@H](C)COC 42517499 573965502 /nfs/dbraw/zinc/96/55/02/573965502.db2.gz MVPDFJDVZNGXDG-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CC1(C)CCC[N@H+]1C/C=C/C[NH3+] 85055090 573966767 /nfs/dbraw/zinc/96/67/67/573966767.db2.gz HDEOUCHFMMAKEQ-ONEGZZNKSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C1CCC1 127897183 573966806 /nfs/dbraw/zinc/96/68/06/573966806.db2.gz MSJFZEPOVGMNKZ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CCC[N@@H+](C/C=C/C[NH3+])CC1 85055125 573966318 /nfs/dbraw/zinc/96/63/18/573966318.db2.gz YZOPMSQPTNCQSW-VUDBWIFFSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@H]1C[NH3+])[C@H](C)C1CC1 715090938 573966341 /nfs/dbraw/zinc/96/63/41/573966341.db2.gz NKYBOEKXYPZLPF-USWWRNFRSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[N@@H+](CCC(N)=[NH2+])C1CCCC1 42529695 573966344 /nfs/dbraw/zinc/96/63/44/573966344.db2.gz QXXAJFURYAZXPR-UHFFFAOYSA-N 2 1 197.326 1.965 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/C[NH3+])C1 85055227 573966383 /nfs/dbraw/zinc/96/63/83/573966383.db2.gz LSHLOTOOANCRMY-YIZUVKHSSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1C/C=C/C[NH3+] 85055172 573966418 /nfs/dbraw/zinc/96/64/18/573966418.db2.gz RXJYJWARVYQCHN-DUMNWFOQSA-N 2 1 182.311 1.766 10 0 ADAEMP CCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238219219 573966444 /nfs/dbraw/zinc/96/64/44/573966444.db2.gz GGVPCQAXKFWPKH-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C/C=C/C[NH3+])[C@@H]1C 85054990 573966571 /nfs/dbraw/zinc/96/65/71/573966571.db2.gz XGCBBLNVKFEMPC-YIZUVKHSSA-N 2 1 182.311 1.622 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@@H+](C)C1CCC1 127892669 573966639 /nfs/dbraw/zinc/96/66/39/573966639.db2.gz OXDSQHOYGFTGSW-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCC1 127888417 573966738 /nfs/dbraw/zinc/96/67/38/573966738.db2.gz QPDNJCWTYMMYCA-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@H]1C[NH3+])[C@@H](C)C1CC1 715090921 573966841 /nfs/dbraw/zinc/96/68/41/573966841.db2.gz NKYBOEKXYPZLPF-DLOVCJGASA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1CC[N@@H+](C/C=C/C[NH3+])[C@H](C)C1 85054997 573966953 /nfs/dbraw/zinc/96/69/53/573966953.db2.gz AMDMXTGHSSYBCP-MJKAUQOVSA-N 2 1 182.311 1.622 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+](C)[C@@H](C)COC 42517692 573966979 /nfs/dbraw/zinc/96/69/79/573966979.db2.gz IWMNLMDFCFFCIM-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+](C)[C@@H](C)COC 42517692 573966985 /nfs/dbraw/zinc/96/69/85/573966985.db2.gz IWMNLMDFCFFCIM-VHSXEESVSA-N 2 1 188.315 1.081 10 0 ADAEMP C[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC1 127892909 573967029 /nfs/dbraw/zinc/96/70/29/573967029.db2.gz OXDSQHOYGFTGSW-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+]1CCC[C@H]1CC 127798238 573967129 /nfs/dbraw/zinc/96/71/29/573967129.db2.gz SIFMEBFEYRBIFW-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[C@@H]1C[NH3+])[C@H](C)C1CC1 715090932 573967153 /nfs/dbraw/zinc/96/71/53/573967153.db2.gz NKYBOEKXYPZLPF-JLLWLGSASA-N 2 1 196.338 1.702 10 0 ADAEMP CCCC[N@@H+](CCC(N)=[NH2+])C(C)C 42529691 573967161 /nfs/dbraw/zinc/96/71/61/573967161.db2.gz OSULOKZLBKIUKM-UHFFFAOYSA-N 2 1 185.315 1.823 10 0 ADAEMP C[C@@H]1C[N@@H+](C/C=C/C[NH3+])CC(C)(C)O1 85054971 573967169 /nfs/dbraw/zinc/96/71/69/573967169.db2.gz XWTTZASLMWGBCQ-ORAHPGNNSA-N 2 1 198.310 1.001 10 0 ADAEMP CC[C@@](C)(C[NH3+])[N@@H+](C)[C@@H](C)COC 42517721 573967177 /nfs/dbraw/zinc/96/71/77/573967177.db2.gz UBPPFTDWIJQOPI-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP C[N@@H+](Cc1cc(C[NH3+])co1)C1CCC1 127894664 573967190 /nfs/dbraw/zinc/96/71/90/573967190.db2.gz XJNSMKNTKNVIBE-UHFFFAOYSA-N 2 1 194.278 1.723 10 0 ADAEMP C[N@H+]1CC[C@@H](CCC2([NH3+])CCC2)C1 258192348 573967223 /nfs/dbraw/zinc/96/72/23/573967223.db2.gz YSFZMLCWQVOGTP-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CC1CCC([N@@H+](C)CCC(N)=[NH2+])CC1 42487814 573968270 /nfs/dbraw/zinc/96/82/70/573968270.db2.gz XUFLMKSLGFPIGH-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@H+](C)[C@@H](C)COC 42518083 573968226 /nfs/dbraw/zinc/96/82/26/573968226.db2.gz ARGNSYGQYXHRPW-LPEHRKFASA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@@H+](C)[C@@H](C)COC 42518083 573968231 /nfs/dbraw/zinc/96/82/31/573968231.db2.gz ARGNSYGQYXHRPW-LPEHRKFASA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)CC1CC1 127798935 573968390 /nfs/dbraw/zinc/96/83/90/573968390.db2.gz PJZIFRLPFZTKCB-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[N@@H+](CCCC(N)=[NH2+])C1CC1 42557498 573969084 /nfs/dbraw/zinc/96/90/84/573969084.db2.gz VKWXYIUOWXUEJB-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@]2(C)CCC[NH2+]2)C1 258193131 573968625 /nfs/dbraw/zinc/96/86/25/573968625.db2.gz MVHBTHLOBJJOGP-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@@H+](CC[C@H](C)[NH3+])C1CC1 42556413 573968725 /nfs/dbraw/zinc/96/87/25/573968725.db2.gz JBDXVJUUSMGHGO-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C[NH3+])C1 715095766 573968771 /nfs/dbraw/zinc/96/87/71/573968771.db2.gz SSKJTSJLZMBUJL-OUAUKWLOSA-N 2 1 182.311 1.313 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]Cc1ccc(C)s1 393600532 573968887 /nfs/dbraw/zinc/96/88/87/573968887.db2.gz QMJDWTXYESYAPU-VIFPVBQESA-N 2 1 198.335 1.883 10 0 ADAEMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1C[C@H]1C[NH3+] 715093577 573969053 /nfs/dbraw/zinc/96/90/53/573969053.db2.gz IMGLBNIROSUNTC-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@]2(C)CCC[NH2+]2)C1 258193135 573971570 /nfs/dbraw/zinc/97/15/70/573971570.db2.gz MVHBTHLOBJJOGP-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1=CC[C@H](C(C)C)[C@H]([NH3+])[C@@H]1[NH3+] 238227494 573970178 /nfs/dbraw/zinc/97/01/78/573970178.db2.gz XMBMJZXXXHJSRA-BBBLOLIVSA-N 2 1 168.284 1.263 10 0 ADAEMP CC(C)C[N@H+](C1CC1)[C@@H](C)CC(N)=[NH2+] 42557513 573970244 /nfs/dbraw/zinc/97/02/44/573970244.db2.gz ISBPIXPWUDMMRR-VIFPVBQESA-N 2 1 197.326 1.821 10 0 ADAEMP CC[N@H+]1CCCC[C@@H](C[NH3+])[C@@H]1C 238228466 573970380 /nfs/dbraw/zinc/97/03/80/573970380.db2.gz SANHYRYMNUIVLD-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]([NH3+])CC[NH2+]Cc1ccco1 127802408 573970466 /nfs/dbraw/zinc/97/04/66/573970466.db2.gz MOVZSXAIIRXXCZ-VIFPVBQESA-N 2 1 182.267 1.497 10 0 ADAEMP CC(C)C[N@H+](C1CC1)[C@H](C)CC[NH3+] 42554693 573970501 /nfs/dbraw/zinc/97/05/01/573970501.db2.gz QEWNDTMDLBFKRX-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@]2(C)CCC[NH2+]2)C1 258193140 573970517 /nfs/dbraw/zinc/97/05/17/573970517.db2.gz MVHBTHLOBJJOGP-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+](C1CC1)[C@@H](C)CC[NH3+] 42554690 573970680 /nfs/dbraw/zinc/97/06/80/573970680.db2.gz QEWNDTMDLBFKRX-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C[NH3+])C1 715095764 573970694 /nfs/dbraw/zinc/97/06/94/573970694.db2.gz SSKJTSJLZMBUJL-GMTAPVOTSA-N 2 1 182.311 1.313 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CCS2 87602399 573970967 /nfs/dbraw/zinc/97/09/67/573970967.db2.gz ANYNPMPDUFRGCV-SECBINFHSA-N 2 1 186.324 1.135 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+]1CC[C@H](C)C1 127809521 573971038 /nfs/dbraw/zinc/97/10/38/573971038.db2.gz ZSPMJIKJVUHOJP-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@]2(C)CCC[NH2+]2)C1 258193145 573971285 /nfs/dbraw/zinc/97/12/85/573971285.db2.gz MVHBTHLOBJJOGP-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[N@@H+]([C@@H](C)CC[NH3+])CCS1 123262929 573971578 /nfs/dbraw/zinc/97/15/78/573971578.db2.gz XVEAQXQYUHOPQM-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC1=CC[C@H](C(C)C)[C@@H]([NH3+])[C@@H]1[NH3+] 238227484 573971877 /nfs/dbraw/zinc/97/18/77/573971877.db2.gz XMBMJZXXXHJSRA-OPRDCNLKSA-N 2 1 168.284 1.263 10 0 ADAEMP C[N@H+]1CCC[C@]2(CC1)[NH2+]CCS2 87602400 573971880 /nfs/dbraw/zinc/97/18/80/573971880.db2.gz ANYNPMPDUFRGCV-VIFPVBQESA-N 2 1 186.324 1.135 10 0 ADAEMP CCC[N@@H+](C[C@@H]1C[C@@H]1C[NH3+])C1CC1 715095322 573972938 /nfs/dbraw/zinc/97/29/38/573972938.db2.gz QVXFYEFBZYVGKZ-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+](C)Cc1ccoc1 127816822 573973140 /nfs/dbraw/zinc/97/31/40/573973140.db2.gz KUIZOYDBOSJJNS-NSHDSACASA-N 2 1 196.294 1.839 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)Cc1ccoc1 127816822 573973143 /nfs/dbraw/zinc/97/31/43/573973143.db2.gz KUIZOYDBOSJJNS-NSHDSACASA-N 2 1 196.294 1.839 10 0 ADAEMP CC(C)C[N@@H+]1CC=C(C[NH3+])CC1 259254975 573973177 /nfs/dbraw/zinc/97/31/77/573973177.db2.gz QYIMABKGDJHTIO-UHFFFAOYSA-N 2 1 168.284 1.233 10 0 ADAEMP Cc1cn([C@@H](C)C(=[NH2+])NO)c(C)[nH+]1 715095316 573973403 /nfs/dbraw/zinc/97/34/03/573973403.db2.gz BXFUXKZIRZGONI-LURJTMIESA-N 2 1 182.227 1.017 10 0 ADAEMP Cc1cn([C@H](C)C(=[NH2+])NO)c(C)[nH+]1 715095326 573974545 /nfs/dbraw/zinc/97/45/45/573974545.db2.gz BXFUXKZIRZGONI-ZCFIWIBFSA-N 2 1 182.227 1.017 10 0 ADAEMP NC(=[NH2+])CC[N@@H+](CC1CC1)C1CC1 42548121 573977215 /nfs/dbraw/zinc/97/72/15/573977215.db2.gz WZGSBEAGTJXCBJ-UHFFFAOYSA-N 2 1 181.283 1.187 10 0 ADAEMP C[NH2+]C[C@@H]1C[N@@H+](C)CCC1(C)C 259255668 573978944 /nfs/dbraw/zinc/97/89/44/573978944.db2.gz MRKUJBNSRIRFBI-SECBINFHSA-N 2 1 170.300 1.184 10 0 ADAEMP CN[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] 259256912 573979003 /nfs/dbraw/zinc/97/90/03/573979003.db2.gz GQHVNAFNEADPDE-GXSJLCMTSA-N 2 1 178.279 1.603 10 0 ADAEMP Cc1ccc[nH+]c1NC[C@H]1C[C@@H]([NH3+])C1 715097129 573979166 /nfs/dbraw/zinc/97/91/66/573979166.db2.gz PSXPRCVFFDAYIB-AOOOYVTPSA-N 2 1 191.278 1.539 10 0 ADAEMP CC(C)C[N@@H+](CCC(N)=[NH2+])C1CC1 42547895 573979168 /nfs/dbraw/zinc/97/91/68/573979168.db2.gz JVLMLVNYTGIBHW-UHFFFAOYSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1C[NH2+]C2(CC[NH+](C)CC2)S1 87602619 573979232 /nfs/dbraw/zinc/97/92/32/573979232.db2.gz RHGHTTYNSWVTRT-QMMMGPOBSA-N 2 1 186.324 1.133 10 0 ADAEMP CC(C)C[C@@H](C)[N@@H+](C)C[C@@H](C)C[NH3+] 42562720 573979256 /nfs/dbraw/zinc/97/92/56/573979256.db2.gz UYNDTXDJXVEHHJ-WDEREUQCSA-N 2 1 186.343 1.948 10 0 ADAEMP C[C@@H]1CSC2(CC[NH+](C)CC2)[NH2+]1 87603133 573979460 /nfs/dbraw/zinc/97/94/60/573979460.db2.gz BYVIQRZINCUEHQ-MRVPVSSYSA-N 2 1 186.324 1.133 10 0 ADAEMP CC(C)C[N@@H+](C[C@H](C)C[NH3+])C1CC1 42554564 573979413 /nfs/dbraw/zinc/97/94/13/573979413.db2.gz UCZJFXKFPILCAQ-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1CCC[C@@H]1[N@H+](C)CC[C@@H](C)[NH3+] 715104010 573981043 /nfs/dbraw/zinc/98/10/43/573981043.db2.gz AVPHGNDMEDEQID-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)C1CCC1 127832587 573980523 /nfs/dbraw/zinc/98/05/23/573980523.db2.gz XVXXWROBORHMJJ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)C1CCC1 127832108 573980545 /nfs/dbraw/zinc/98/05/45/573980545.db2.gz XVXXWROBORHMJJ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1[nH]cc(CC2CC[NH2+]CC2)[nH+]1 104401963 573980656 /nfs/dbraw/zinc/98/06/56/573980656.db2.gz JXWOYJQVFSAAEH-UHFFFAOYSA-N 2 1 193.294 1.514 10 0 ADAEMP C[C@H]1CCC[C@H]1[N@H+](C)CC[C@@H](C)[NH3+] 715104014 573981158 /nfs/dbraw/zinc/98/11/58/573981158.db2.gz AVPHGNDMEDEQID-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](CC[C@H](C)[NH3+])CC1CC1 42581851 573981321 /nfs/dbraw/zinc/98/13/21/573981321.db2.gz LMKYZYZIYMJWOX-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[N@@H+](CCC[NH3+])CCOC 42562864 573981626 /nfs/dbraw/zinc/98/16/26/573981626.db2.gz WYKCIUDDRGZFOZ-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])CC1(C)C 259257755 573981676 /nfs/dbraw/zinc/98/16/76/573981676.db2.gz FNBHUWDCLBSWQQ-VIFPVBQESA-N 2 1 170.300 1.597 10 0 ADAEMP CC(C)[N@H+](CC1CC1)C[C@H](C)C[NH3+] 42563228 573981699 /nfs/dbraw/zinc/98/16/99/573981699.db2.gz ZSHWPLPDXVDVDS-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@@]2(CC[NH2+]C[C@@H]2C)C[N@H+]1C 127966622 573983202 /nfs/dbraw/zinc/98/32/02/573983202.db2.gz SPEBSLCPMYRQSK-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCC[C@H]1C 715104012 573981813 /nfs/dbraw/zinc/98/18/13/573981813.db2.gz AVPHGNDMEDEQID-GMTAPVOTSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCC[C@H]1C 715104132 573981964 /nfs/dbraw/zinc/98/19/64/573981964.db2.gz AVPHGNDMEDEQID-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)COC 127829956 573982200 /nfs/dbraw/zinc/98/22/00/573982200.db2.gz PGWHLEBMVKHYLF-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@H](C)[N@@H+](CCC[NH3+])CCOC 42562866 573982244 /nfs/dbraw/zinc/98/22/44/573982244.db2.gz WYKCIUDDRGZFOZ-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@H+]1CCC[NH2+]C(C)(C)CC1 259257640 573982285 /nfs/dbraw/zinc/98/22/85/573982285.db2.gz FLZHEGCDTCSTSY-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@@H](C)CC[NH3+] 42563303 573982336 /nfs/dbraw/zinc/98/23/36/573982336.db2.gz LNUOBRDFUUJEIX-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@]2(CC[NH2+]C[C@@H]2C)C[N@H+]1C 127967093 573982484 /nfs/dbraw/zinc/98/24/84/573982484.db2.gz SPEBSLCPMYRQSK-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)C[N@@H+](C[C@H](C)C[NH3+])C(C)C 42563027 573982736 /nfs/dbraw/zinc/98/27/36/573982736.db2.gz UHNAQYYJMFIZNA-LLVKDONJSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](CC)CCOC 127828022 573982742 /nfs/dbraw/zinc/98/27/42/573982742.db2.gz NJYOEEYHXNRRQI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC(C)C[N@@H+](C[C@@H](C)C[NH3+])C(C)C 42563025 573982800 /nfs/dbraw/zinc/98/28/00/573982800.db2.gz UHNAQYYJMFIZNA-NSHDSACASA-N 2 1 186.343 1.948 10 0 ADAEMP CC(C)([NH3+])C[C@H]([NH3+])c1ccccn1 259257462 573983158 /nfs/dbraw/zinc/98/31/58/573983158.db2.gz IKYQAWIDEKQBOD-QMMMGPOBSA-N 2 1 179.267 1.209 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)C1CCC1 127831901 573982930 /nfs/dbraw/zinc/98/29/30/573982930.db2.gz XVXXWROBORHMJJ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)C1CCC1 127832400 573982954 /nfs/dbraw/zinc/98/29/54/573982954.db2.gz XVXXWROBORHMJJ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C1([C@@H](C[NH3+])[NH2+]C2CC2)CCC1 686133372 573982965 /nfs/dbraw/zinc/98/29/65/573982965.db2.gz ORDUPHZPEACGNZ-LLVKDONJSA-N 2 1 196.338 1.892 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H](C2([NH3+])CCC2)C1 258194860 573983132 /nfs/dbraw/zinc/98/31/32/573983132.db2.gz YVNANHXHCZSCGW-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1CC(F)(F)F 74242344 573985872 /nfs/dbraw/zinc/98/58/72/573985872.db2.gz YFSKGHAVCMYFJZ-RNFRBKRXSA-N 2 1 196.216 1.360 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1CC(F)(F)F 74242344 573985881 /nfs/dbraw/zinc/98/58/81/573985881.db2.gz YFSKGHAVCMYFJZ-RNFRBKRXSA-N 2 1 196.216 1.360 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)CC1CC1 45600882 573986837 /nfs/dbraw/zinc/98/68/37/573986837.db2.gz QKRDXOQCDYTUAK-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@@H+](C)CCCC[C@H](C)[NH3+] 45599559 573986868 /nfs/dbraw/zinc/98/68/68/573986868.db2.gz GEVREUKRGHCJGW-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP CC[N@@H+](C)CCCC[C@@H](C)[NH2+]C 45599301 573988173 /nfs/dbraw/zinc/98/81/73/573988173.db2.gz PMYYBCLTUCURNM-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](C)CCC[C@@H](C)[NH2+]C 45599575 573987694 /nfs/dbraw/zinc/98/76/94/573987694.db2.gz MNOHOTHGLJETGO-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP C[C@H]1CCC[N@@H+]1CCCC[C@@H](C)[NH3+] 45600791 573987715 /nfs/dbraw/zinc/98/77/15/573987715.db2.gz FUNHLSAWMUMEOF-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP COCC[N@@H+](C)CCCC[C@@H](C)[NH3+] 45601632 573987761 /nfs/dbraw/zinc/98/77/61/573987761.db2.gz CCRMZCLASODFHI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP C[N@@H+](CCC1CCC1)C[C@@H]1C[C@@H]1C[NH3+] 715108876 573987773 /nfs/dbraw/zinc/98/77/73/573987773.db2.gz YYPCVCSMORFTHF-NEPJUHHUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)CC1CC1 45600902 573987817 /nfs/dbraw/zinc/98/78/17/573987817.db2.gz XWWHVCMIZDQPQA-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](CCC[C@H](C)[NH3+])C1CC1 45599536 573987847 /nfs/dbraw/zinc/98/78/47/573987847.db2.gz LCAFWKZZPDGGFD-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CCC[C@@H](C)[NH3+] 45600836 573987857 /nfs/dbraw/zinc/98/78/57/573987857.db2.gz XIMKOPIGAZIQQN-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@H](C)CCC[N@@H+](C)CC 45599317 573987929 /nfs/dbraw/zinc/98/79/29/573987929.db2.gz MCWPRVUDJZDCRW-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)C1CC1 45599360 573987954 /nfs/dbraw/zinc/98/79/54/573987954.db2.gz YJOURPKZFRCIHA-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])C1CC1 45599327 573988017 /nfs/dbraw/zinc/98/80/17/573988017.db2.gz NRMREOZETCSOJW-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[N@@H+](C)CCC[C@H](C)[NH2+]C 45599577 573988030 /nfs/dbraw/zinc/98/80/30/573988030.db2.gz MNOHOTHGLJETGO-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCCC[N@@H+](C)CCC[C@@H](C)[NH3+] 45598976 573988160 /nfs/dbraw/zinc/98/81/60/573988160.db2.gz QXYSVGYUEGIXDP-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP Cc1[nH+]ccn1CCC[C@H](C)[NH3+] 45603894 573988132 /nfs/dbraw/zinc/98/81/32/573988132.db2.gz REPYSVHBBDEIIV-QMMMGPOBSA-N 2 1 167.256 1.319 10 0 ADAEMP Cc1[nH+]ccn1CCCC[C@@H](C)[NH3+] 45603906 573988368 /nfs/dbraw/zinc/98/83/68/573988368.db2.gz KOYYPHPSUZDTEH-SECBINFHSA-N 2 1 181.283 1.709 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@@H+](C)CC1CC1 45600885 573988406 /nfs/dbraw/zinc/98/84/06/573988406.db2.gz QKRDXOQCDYTUAK-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](CCC[C@H](C)[NH3+])CCOC 45602322 573988511 /nfs/dbraw/zinc/98/85/11/573988511.db2.gz KOXUZPFMSHZTEX-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCc1[nH+]ccn1CCC[C@@H](C)[NH2+]C 45604643 573988751 /nfs/dbraw/zinc/98/87/51/573988751.db2.gz LDRRSAXERRKHMJ-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP COC[C@H](C)[N@@H+](C)CCC[C@@H](C)[NH3+] 45602457 573988849 /nfs/dbraw/zinc/98/88/49/573988849.db2.gz AQHIZERRHKMPPI-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CCC[N@@H+](CC)CCC[C@@H](C)[NH3+] 45599479 573988891 /nfs/dbraw/zinc/98/88/91/573988891.db2.gz UAQXRXJAAZJBKW-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[C@@H]1CSC2(CC[NH2+]CC2)[NH2+]1 87605657 573988927 /nfs/dbraw/zinc/98/89/27/573988927.db2.gz RNQPDZGNSNQYJS-MRVPVSSYSA-N 2 1 186.324 1.181 10 0 ADAEMP CC(C)[N@H+](C)CCC[C@@H](C)[NH3+] 45598758 573988978 /nfs/dbraw/zinc/98/89/78/573988978.db2.gz ZTMIAYZQJNDNNC-SECBINFHSA-N 2 1 158.289 1.454 10 0 ADAEMP C[C@H]1CCC[N@@H+]1CCC[C@@H](C)[NH3+] 45600796 573989705 /nfs/dbraw/zinc/98/97/05/573989705.db2.gz RINBVAJGPCUVNM-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)C1CC1 45599374 573989783 /nfs/dbraw/zinc/98/97/83/573989783.db2.gz KVXPBNGPZPWRHR-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)[N@H+](C)CCCC[C@H](C)[NH3+] 45598757 573989791 /nfs/dbraw/zinc/98/97/91/573989791.db2.gz WTXWBXCKWOSXPS-JTQLQIEISA-N 2 1 172.316 1.844 10 0 ADAEMP Cc1[nH+]ccn1CCCC[C@H](C)[NH3+] 45603908 573989802 /nfs/dbraw/zinc/98/98/02/573989802.db2.gz KOYYPHPSUZDTEH-VIFPVBQESA-N 2 1 181.283 1.709 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1CCC[C@@H](C)[NH3+] 45598635 573989843 /nfs/dbraw/zinc/98/98/43/573989843.db2.gz PNNATDBWYJGUSE-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+][C@H](C)CCC[N@@H+](C)C1CC1 45599380 573989863 /nfs/dbraw/zinc/98/98/63/573989863.db2.gz VGGVCOUDYSHRPC-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](CCC[C@@H](C)[NH3+])C(C)C 45599390 573989875 /nfs/dbraw/zinc/98/98/75/573989875.db2.gz SUIPVBBZEIZUDB-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP C[C@@H](CC[NH3+])CCC[NH2+]CC(F)F 147826589 573994341 /nfs/dbraw/zinc/99/43/41/573994341.db2.gz LJGSLBBGIIHPKI-MRVPVSSYSA-N 2 1 194.269 1.606 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+]1CCC(C)(C)C1 127928465 573994389 /nfs/dbraw/zinc/99/43/89/573994389.db2.gz YJGIDPCPXCVRNE-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH2+]C1CC([NH3+])C1)c1cccnc1 87651209 573994071 /nfs/dbraw/zinc/99/40/71/573994071.db2.gz WUXURBPMEPMPDU-PUSIOWJLSA-N 2 1 191.278 1.222 10 0 ADAEMP C[C@@H]([NH2+]C1CC([NH3+])C1)c1ccco1 87651347 573994099 /nfs/dbraw/zinc/99/40/99/573994099.db2.gz FPENAWOTHXJYJC-AFPNSQJFSA-N 2 1 180.251 1.420 10 0 ADAEMP CC[NH2+]C[C@H](CC)[N@H+](C)C1CCC1 127907036 573996281 /nfs/dbraw/zinc/99/62/81/573996281.db2.gz JFFYRJNQSXGUAK-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+]C[C@H](CC)[N@@H+](C)C1CCC1 127907036 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574000141 /nfs/dbraw/zinc/00/01/41/574000141.db2.gz SZGOFKCXFXOXOL-UHFFFAOYSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1C1CC([NH3+])C1 87653581 574001686 /nfs/dbraw/zinc/00/16/86/574001686.db2.gz BRKTXGGXUOTAGZ-WHXUTIOJSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@H]1CC[C@H](C)[N@H+](C2CC([NH3+])C2)C1 87653610 574001702 /nfs/dbraw/zinc/00/17/02/574001702.db2.gz UGKZXUBEFICHCO-SAAXCQNUSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H]1CCC[N@H+](C2CC([NH3+])C2)CC1 87653585 574001736 /nfs/dbraw/zinc/00/17/36/574001736.db2.gz MZMZVUQCZFGDAC-UNXYVOJBSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]([N@@H+](C)C1CC([NH3+])C1)C(C)(C)C 87653424 574001786 /nfs/dbraw/zinc/00/17/86/574001786.db2.gz MTJRLEDSYVIGCN-IDKOKCKLSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C1CC([NH3+])C1 87653127 574001853 /nfs/dbraw/zinc/00/18/53/574001853.db2.gz JFTAKNJSVKSYFK-XNWIYYODSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+](C2CC([NH3+])C2)C1 87653612 574001903 /nfs/dbraw/zinc/00/19/03/574001903.db2.gz UGKZXUBEFICHCO-IZUQBHJASA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1C[NH3+] 715112919 574002033 /nfs/dbraw/zinc/00/20/33/574002033.db2.gz BJOJAHAUHNQFIN-TUAOUCFPSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C[NH3+] 715112917 574002040 /nfs/dbraw/zinc/00/20/40/574002040.db2.gz BJOJAHAUHNQFIN-SRVKXCTJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C1CC([NH3+])C1 87653289 574002067 /nfs/dbraw/zinc/00/20/67/574002067.db2.gz QASVOQZPQDDSPS-KYHHOPLUSA-N 2 1 168.284 1.351 10 0 ADAEMP Cn1c[nH+]cc1CC[C@@H]1CCCC[NH2+]1 85167999 574002078 /nfs/dbraw/zinc/00/20/78/574002078.db2.gz BMMPKIVPDDPATE-JTQLQIEISA-N 2 1 193.294 1.495 10 0 ADAEMP C[C@H]1CCC[C@@H]([N@@H+](C)C2CC([NH3+])C2)C1 87653339 574002095 /nfs/dbraw/zinc/00/20/95/574002095.db2.gz HJTSDKGZLLPBHN-UZEXVOJHSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1C1CC([NH3+])C1 87653614 574002177 /nfs/dbraw/zinc/00/21/77/574002177.db2.gz IBZZNFWPBKSJHB-VQXHTEKXSA-N 2 1 182.311 1.597 10 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C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C[NH3+])CC[C@H]1C 715115609 574004496 /nfs/dbraw/zinc/00/44/96/574004496.db2.gz QDJGPDBKIBXLPF-WYUUTHIRSA-N 2 1 196.338 1.559 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1C[C@@H]1[C@@H](C)[NH3+] 85183318 574004539 /nfs/dbraw/zinc/00/45/39/574004539.db2.gz ZGRSFJAIZIIDCI-IWSPIJDZSA-N 2 1 179.267 1.354 10 0 ADAEMP C[C@H]([NH3+])[C@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85189765 574004672 /nfs/dbraw/zinc/00/46/72/574004672.db2.gz QPBRACGQGIKGAY-SFGNSQDASA-N 2 1 191.278 1.669 10 0 ADAEMP CCC[N@H+]1CCC(C)(C)[C@H](C[NH2+]C)C1 259272146 574011571 /nfs/dbraw/zinc/01/15/71/574011571.db2.gz NSTLTAQTNXUGRW-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@H]1[C@@H]([NH3+])CCC[N@H+]1C 238239883 574006192 /nfs/dbraw/zinc/00/61/92/574006192.db2.gz AVWUKWOGABVEPK-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@H]1C[C@H]1C[NH3+] 85189259 574006199 /nfs/dbraw/zinc/00/61/99/574006199.db2.gz BXBLMVQLYVQZPO-IUCAKERBSA-N 2 1 179.267 1.526 10 0 ADAEMP C[NH2+]C[C@@H](C[C@@H]1CC[N@@H+](C)C1)C(C)C 259271225 574006240 /nfs/dbraw/zinc/00/62/40/574006240.db2.gz IVXBSICQZUYTQW-NWDGAFQWSA-N 2 1 198.354 1.820 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@@H]1C[C@@H]1C[NH3+] 85189254 574006295 /nfs/dbraw/zinc/00/62/95/574006295.db2.gz BXBLMVQLYVQZPO-RKDXNWHRSA-N 2 1 179.267 1.526 10 0 ADAEMP CC[N@@H+]1CC=C(C[C@@H](C)[NH3+])CC1 258199883 574006482 /nfs/dbraw/zinc/00/64/82/574006482.db2.gz UNKMYDZNOGFQTD-SECBINFHSA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH2+]C[C@H](C[C@@H]1CC[N@@H+](C)C1)C(C)C 259271227 574006515 /nfs/dbraw/zinc/00/65/15/574006515.db2.gz IVXBSICQZUYTQW-RYUDHWBXSA-N 2 1 198.354 1.820 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@@H]1C[C@H]1C[NH3+] 85189257 574009163 /nfs/dbraw/zinc/00/91/63/574009163.db2.gz BXBLMVQLYVQZPO-DTWKUNHWSA-N 2 1 179.267 1.526 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](CC2([NH3+])CCC2)C1 258204589 574008932 /nfs/dbraw/zinc/00/89/32/574008932.db2.gz ZLBSVLBIHJVZMG-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)n1c[nH+]cc1C[C@H]1CC[NH2+]C1 85189405 574008945 /nfs/dbraw/zinc/00/89/45/574008945.db2.gz XXQGSQIMPLWQSR-SNVBAGLBSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[N@H+]1C[C@H](C)[C@@H]([NH3+])C[C@@H]1C 238247319 574010176 /nfs/dbraw/zinc/01/01/76/574010176.db2.gz ZVFKPBSZXZYDIX-CIUDSAMLSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]CC2CCCC2)C1 48732712 574010672 /nfs/dbraw/zinc/01/06/72/574010672.db2.gz FDKRWMFFQVONMH-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@H+]1C[C@@H](C[NH2+]C)CCC1(C)C 259272142 574010351 /nfs/dbraw/zinc/01/03/51/574010351.db2.gz GCKKOZOAAQLPSC-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H](C)[NH2+][C@@H]1C 238246734 574010505 /nfs/dbraw/zinc/01/05/05/574010505.db2.gz JYXUVZJCKDNVNU-IWSPIJDZSA-N 2 1 156.273 1.125 10 0 ADAEMP C[N@H+](Cc1ccco1)C[C@@H]1C[C@@H]1C[NH3+] 715117021 574010548 /nfs/dbraw/zinc/01/05/48/574010548.db2.gz YPVQWLZEQCOCDH-ZJUUUORDSA-N 2 1 194.278 1.306 10 0 ADAEMP c1[nH+]cn(C2CC2)c1C[C@H]1CC[NH2+]C1 85191189 574012418 /nfs/dbraw/zinc/01/24/18/574012418.db2.gz CWGMRNMJHPHDBQ-SECBINFHSA-N 2 1 191.278 1.370 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+]2CCC[C@H]12 123398737 574012514 /nfs/dbraw/zinc/01/25/14/574012514.db2.gz YCIPTKFBKFAJGY-KSXVILFYSA-N 2 1 166.268 1.130 10 0 ADAEMP [NH3+][C@@H]1C[C@@H]1c1c[nH+]cn1C1CC1 85190916 574012775 /nfs/dbraw/zinc/01/27/75/574012775.db2.gz QNQKUXHAPDPATD-JGVFFNPUSA-N 2 1 163.224 1.033 10 0 ADAEMP C1C[C@@H]2[N@@H+](C1)CCC21CC[NH2+]CC1 123392788 574013756 /nfs/dbraw/zinc/01/37/56/574013756.db2.gz HFVZUBDQSVECCA-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[C@H]2[N@@H+](C1)CCC21CC[NH2+]CC1 123392580 574013923 /nfs/dbraw/zinc/01/39/23/574013923.db2.gz HFVZUBDQSVECCA-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP CC[N@H+]1C[C@@H](C[NH3+])CCC1(C)C 259275039 574017094 /nfs/dbraw/zinc/01/70/94/574017094.db2.gz GHDUUUFOMUSTBC-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C1(C(C)C)CCC1 686130315 574017641 /nfs/dbraw/zinc/01/76/41/574017641.db2.gz AEXRURLGRXSGLJ-SECBINFHSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@@H](C[NH2+]C)C[C@H]1CC[N@@H+](C)C1 259279204 574023158 /nfs/dbraw/zinc/02/31/58/574023158.db2.gz JDSPSPHPHYWLGP-GHMZBOCLSA-N 2 1 184.327 1.574 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@H]2CC[NH2+]C2)C1 259277444 574023197 /nfs/dbraw/zinc/02/31/97/574023197.db2.gz YQLFRAFEMXVZEQ-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP COC(=[NH2+])c1cccc(C[NH3+])c1 104523407 574024188 /nfs/dbraw/zinc/02/41/88/574024188.db2.gz PFCQOALPLAZWFP-UHFFFAOYSA-N 2 1 164.208 1.117 10 0 ADAEMP CC[C@H](C[NH2+]C)C[C@H]1CC[N@@H+](C)C1 259279212 574024561 /nfs/dbraw/zinc/02/45/61/574024561.db2.gz JDSPSPHPHYWLGP-WDEREUQCSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC(C)(C)C1 87772561 574027542 /nfs/dbraw/zinc/02/75/42/574027542.db2.gz HRYMTUSPIMICDP-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCC1 85283876 574027496 /nfs/dbraw/zinc/02/74/96/574027496.db2.gz VFOCPMPLHZVXNI-FXPVBKGRSA-N 2 1 180.295 1.079 10 0 ADAEMP C[NH2+]CC[N@H+](C)[C@@H](C)CC(C)C 42590185 574025765 /nfs/dbraw/zinc/02/57/65/574025765.db2.gz YPHWRMRDNLRHMP-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+]CC[N@@H+](C)[C@@H](C)CC(C)C 42590185 574025768 /nfs/dbraw/zinc/02/57/68/574025768.db2.gz YPHWRMRDNLRHMP-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CCC1 85285618 574027512 /nfs/dbraw/zinc/02/75/12/574027512.db2.gz DIQAWEUWAGYQOS-YUSALJHKSA-N 2 1 194.322 1.326 10 0 ADAEMP C[NH2+]CC[N@H+](C)[C@H](C)CC(C)C 42590183 574025910 /nfs/dbraw/zinc/02/59/10/574025910.db2.gz YPHWRMRDNLRHMP-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+]CC[N@@H+](C)[C@H](C)CC(C)C 42590183 574025915 /nfs/dbraw/zinc/02/59/15/574025915.db2.gz YPHWRMRDNLRHMP-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC(C)(C)C1 87772562 574027554 /nfs/dbraw/zinc/02/75/54/574027554.db2.gz HRYMTUSPIMICDP-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H](C1CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282302 574026676 /nfs/dbraw/zinc/02/66/76/574026676.db2.gz REYPCTPRYXYIOH-TUAOUCFPSA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC(C)C 85286565 574026711 /nfs/dbraw/zinc/02/67/11/574026711.db2.gz UOEZDSQJXJBOJJ-IJLUTSLNSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CCC1CC1 85286099 574026760 /nfs/dbraw/zinc/02/67/60/574026760.db2.gz QLVCZFSENJVYNA-JLLWLGSASA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CC1 85286694 574026860 /nfs/dbraw/zinc/02/68/60/574026860.db2.gz JOTULJZPJZBQGA-IJLUTSLNSA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283830 574026950 /nfs/dbraw/zinc/02/69/50/574026950.db2.gz BQJWSBNSXSJIAE-XWLWVQCSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CCC1 85285613 574026994 /nfs/dbraw/zinc/02/69/94/574026994.db2.gz DIQAWEUWAGYQOS-JLLWLGSASA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C(C)C 85286648 574027000 /nfs/dbraw/zinc/02/70/00/574027000.db2.gz RRXYXWYABMTPTN-OUAUKWLOSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC(C)(C)C1 87772563 574027052 /nfs/dbraw/zinc/02/70/52/574027052.db2.gz DKJFYOLSUCFOML-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP C[N@@H+](CCC(N)=[NH2+])CCC(C)(C)C 49254862 574027073 /nfs/dbraw/zinc/02/70/73/574027073.db2.gz LCNXVSBYPIYSPG-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1CC1CC1 85286699 574027245 /nfs/dbraw/zinc/02/72/45/574027245.db2.gz JOTULJZPJZBQGA-GRYCIOLGSA-N 2 1 194.322 1.326 10 0 ADAEMP CC1(C)CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 87772859 574027284 /nfs/dbraw/zinc/02/72/84/574027284.db2.gz KOHOZLDMFZOSOO-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 87772859 574027287 /nfs/dbraw/zinc/02/72/87/574027287.db2.gz KOHOZLDMFZOSOO-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H](C)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282086 574027301 /nfs/dbraw/zinc/02/73/01/574027301.db2.gz OQUDHTHONLZOLZ-KXNHARMFSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 85282080 574027410 /nfs/dbraw/zinc/02/74/10/574027410.db2.gz YXJUJTGZHGIIFB-NNYUYHANSA-N 2 1 194.322 1.326 10 0 ADAEMP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCC1 85287946 574028878 /nfs/dbraw/zinc/02/88/78/574028878.db2.gz DBXKHLHQFMGVNB-KOLCDFICSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@H]1CCC[C@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282337 574028509 /nfs/dbraw/zinc/02/85/09/574028509.db2.gz OUWGKHDOQNOVCY-NNYUYHANSA-N 2 1 194.322 1.326 10 0 ADAEMP C[C@H]1CCC[C@@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282335 574028545 /nfs/dbraw/zinc/02/85/45/574028545.db2.gz OUWGKHDOQNOVCY-YFKTTZPYSA-N 2 1 194.322 1.326 10 0 ADAEMP CC[C@H](C(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282060 574028575 /nfs/dbraw/zinc/02/85/75/574028575.db2.gz KGYNHSZCCWDXRE-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CCC1 85283870 574028582 /nfs/dbraw/zinc/02/85/82/574028582.db2.gz VFOCPMPLHZVXNI-KKZNHRDASA-N 2 1 180.295 1.079 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 85283849 574028616 /nfs/dbraw/zinc/02/86/16/574028616.db2.gz BFVFVDZTHFEOBM-FIQHERPVSA-N 2 1 196.338 1.572 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282336 574028634 /nfs/dbraw/zinc/02/86/34/574028634.db2.gz OUWGKHDOQNOVCY-WISYIIOYSA-N 2 1 194.322 1.326 10 0 ADAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288291 574028921 /nfs/dbraw/zinc/02/89/21/574028921.db2.gz QYKVHFKLZHZKQO-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@@H+](C2CC2)C1(C)C 259285644 574031302 /nfs/dbraw/zinc/03/13/02/574031302.db2.gz GSCUNEWRSJURQQ-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85289437 574029928 /nfs/dbraw/zinc/02/99/28/574029928.db2.gz JHHBUAIUSRMLFB-NNOMMRTBSA-N 2 1 194.322 1.492 10 0 ADAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1CC1CC1 85288231 574029935 /nfs/dbraw/zinc/02/99/35/574029935.db2.gz VACRPNMTBWIJBW-WDEREUQCSA-N 2 1 194.322 1.326 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259285781 574031451 /nfs/dbraw/zinc/03/14/51/574031451.db2.gz OSDYCBWSOBHFTO-NSHDSACASA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288166 574030254 /nfs/dbraw/zinc/03/02/54/574030254.db2.gz CGGIZYBXBWCPQE-UWVGGRQHSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1(C)C 85288067 574030295 /nfs/dbraw/zinc/03/02/95/574030295.db2.gz XDEVWIMGTJTDBI-QWRGUYRKSA-N 2 1 196.338 1.572 10 0 ADAEMP C/C=C/C[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85289440 574030432 /nfs/dbraw/zinc/03/04/32/574030432.db2.gz JHHBUAIUSRMLFB-ZJRFNNFUSA-N 2 1 194.322 1.492 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 85288169 574030465 /nfs/dbraw/zinc/03/04/65/574030465.db2.gz CGGIZYBXBWCPQE-ZJUUUORDSA-N 2 1 182.311 1.325 10 0 ADAEMP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C1CCC1 85287948 574030474 /nfs/dbraw/zinc/03/04/74/574030474.db2.gz DBXKHLHQFMGVNB-GXSJLCMTSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CCNC(C)(C)CC1 259285640 574030610 /nfs/dbraw/zinc/03/06/10/574030610.db2.gz OPURTPKFFGTRLP-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1C1CCC1 85287951 574030633 /nfs/dbraw/zinc/03/06/33/574030633.db2.gz DBXKHLHQFMGVNB-ONGXEEELSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[N@H+]1CCC[NH2+]CC(C)(C)C1 259285761 574030637 /nfs/dbraw/zinc/03/06/37/574030637.db2.gz GUISYUJCVQJMNX-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)C1(C)C 259285641 574030892 /nfs/dbraw/zinc/03/08/92/574030892.db2.gz GSCUNEWRSJURQQ-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCF 87775800 574031005 /nfs/dbraw/zinc/03/10/05/574031005.db2.gz HTWVAWFKVLJZKL-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCF 87775800 574031009 /nfs/dbraw/zinc/03/10/09/574031009.db2.gz HTWVAWFKVLJZKL-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCNC(C)(C)CC1 259285643 574031028 /nfs/dbraw/zinc/03/10/28/574031028.db2.gz OPURTPKFFGTRLP-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC1(C)[C@H](C[NH3+])CC[N@H+]1C1CC1 259285814 574031250 /nfs/dbraw/zinc/03/12/50/574031250.db2.gz GVDBMCOBYZYFEX-QMMMGPOBSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC(CC)C[C@H]([NH3+])C[NH+](C)C 128174791 574031439 /nfs/dbraw/zinc/03/14/39/574031439.db2.gz JYYBBYHKNJWLFJ-JTQLQIEISA-N 2 1 172.316 1.702 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCF 87775799 574031368 /nfs/dbraw/zinc/03/13/68/574031368.db2.gz HTWVAWFKVLJZKL-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCF 87775799 574031370 /nfs/dbraw/zinc/03/13/70/574031370.db2.gz HTWVAWFKVLJZKL-RKDXNWHRSA-N 2 1 174.263 1.015 10 0 ADAEMP CC[C@@H](C[NH3+])[NH2+]Cc1cc(C)cs1 393609045 574035352 /nfs/dbraw/zinc/03/53/52/574035352.db2.gz DGVNLFRETGBSRK-VIFPVBQESA-N 2 1 198.335 1.883 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@H]2CCC[NH2+]C2)C1 259291001 574037334 /nfs/dbraw/zinc/03/73/34/574037334.db2.gz ZVNLZCARHYENTB-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CC[C@@H](C2CCC([NH3+])CC2)C1 259290991 574037649 /nfs/dbraw/zinc/03/76/49/574037649.db2.gz PWAVJOCZTJONKT-HSOILSAZSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@@H]2CCC[NH2+]C2)C1 259291008 574037902 /nfs/dbraw/zinc/03/79/02/574037902.db2.gz ZVNLZCARHYENTB-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP CC1(C)C[N@@H+](CC2CCC2)CC[C@H]1[NH3+] 306987003 574038122 /nfs/dbraw/zinc/03/81/22/574038122.db2.gz PMDYCLAYHVYOFP-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+]1CCC[NH2+]CCC1(C)C 259294201 574040084 /nfs/dbraw/zinc/04/00/84/574040084.db2.gz HDZUGDDPCDVVQU-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CC2)C1(C)C 259444402 574040127 /nfs/dbraw/zinc/04/01/27/574040127.db2.gz OUZZRTLENMNSMP-SECBINFHSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1(C)C 259444402 574040130 /nfs/dbraw/zinc/04/01/30/574040130.db2.gz OUZZRTLENMNSMP-SECBINFHSA-N 2 1 168.284 1.221 10 0 ADAEMP CCCc1[nH+]c[nH]c1C1CC[NH2+]CC1 258468163 574040477 /nfs/dbraw/zinc/04/04/77/574040477.db2.gz AETBRDLJSZCRHH-UHFFFAOYSA-N 2 1 193.294 1.829 10 0 ADAEMP CC1(C)CC[C@H](C[NH3+])C[N@H+]1C1CC1 259294360 574040627 /nfs/dbraw/zinc/04/06/27/574040627.db2.gz HGXHSMRMAKAXDH-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1csc(C[NH2+]CC[C@H](C)[NH3+])n1 49539160 574042257 /nfs/dbraw/zinc/04/22/57/574042257.db2.gz UXDXEABKVYBZER-ZETCQYMHSA-N 2 1 199.323 1.278 10 0 ADAEMP Cc1csc(C[NH2+]CC[C@@H](C)[NH3+])n1 49539159 574042500 /nfs/dbraw/zinc/04/25/00/574042500.db2.gz UXDXEABKVYBZER-SSDOTTSWSA-N 2 1 199.323 1.278 10 0 ADAEMP CCC[N@H+]1C[C@H]([NH2+]C)CC1(C)C 259297089 574042849 /nfs/dbraw/zinc/04/28/49/574042849.db2.gz HIWZGZLDBCBNLW-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C[NH3+])C1(C)C 259300390 574046759 /nfs/dbraw/zinc/04/67/59/574046759.db2.gz HMYFBHMPHOUNQM-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)CC 113169518 574045734 /nfs/dbraw/zinc/04/57/34/574045734.db2.gz CPSPDCSQWDODSU-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)CC 113169519 574046160 /nfs/dbraw/zinc/04/61/60/574046160.db2.gz CPSPDCSQWDODSU-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP C[NH+](C)[C@@H]1CCC[C@@H]2CCC[NH2+][C@@H]21 197959851 574047026 /nfs/dbraw/zinc/04/70/26/574047026.db2.gz XIHWFWCSWSOGBB-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH+](C)[C@@H]1CCC[C@H]2CCC[NH2+][C@@H]21 197959841 574047390 /nfs/dbraw/zinc/04/73/90/574047390.db2.gz XIHWFWCSWSOGBB-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CCCCC[N@@H+]1CCC[C@H]1C[NH3+] 19843273 486713548 /nfs/dbraw/zinc/71/35/48/486713548.db2.gz ZZKVXHWYCZZSLZ-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CCCCC[N@H+]1CCC[C@H]1C[NH3+] 19843273 486713553 /nfs/dbraw/zinc/71/35/53/486713553.db2.gz ZZKVXHWYCZZSLZ-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C(C)C 20073221 486714081 /nfs/dbraw/zinc/71/40/81/486714081.db2.gz LKXTZQXHAZRHRM-SNVBAGLBSA-N 2 1 172.316 1.700 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C(C)C 20073223 486714656 /nfs/dbraw/zinc/71/46/56/486714656.db2.gz LKXTZQXHAZRHRM-JTQLQIEISA-N 2 1 172.316 1.700 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC2CC1(C[NH3+])C2 36419920 486716876 /nfs/dbraw/zinc/71/68/76/486716876.db2.gz GLBFQYUSYDUBJT-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)CCC[NH3+] 36731864 486716965 /nfs/dbraw/zinc/71/69/65/486716965.db2.gz CIUOKXZCRGCNPW-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CC[C@H](C)[N@H+]1CC2CC1(C[NH3+])C2 36419921 486717034 /nfs/dbraw/zinc/71/70/34/486717034.db2.gz GLBFQYUSYDUBJT-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@@H+](CCC[NH3+])C1CCCC1 36731995 486717060 /nfs/dbraw/zinc/71/70/60/486717060.db2.gz TYLFRHXEPKZJKG-UHFFFAOYSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)CCC[NH3+] 36731863 486717314 /nfs/dbraw/zinc/71/73/14/486717314.db2.gz CIUOKXZCRGCNPW-SECBINFHSA-N 2 1 158.289 1.456 10 0 ADAEMP CC[N@H+](C)C[C@@H]([NH3+])CC(C)C 37079004 486717885 /nfs/dbraw/zinc/71/78/85/486717885.db2.gz DWAATGWNSBJIOS-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP CC[N@@H+](C)C[C@@H]([NH3+])CC(C)C 37079004 486717889 /nfs/dbraw/zinc/71/78/89/486717889.db2.gz DWAATGWNSBJIOS-VIFPVBQESA-N 2 1 158.289 1.312 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@H+](C)C1CC1 37081288 486718217 /nfs/dbraw/zinc/71/82/17/486718217.db2.gz XHYZTZBLOLFICM-SECBINFHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CC1 37081288 486718221 /nfs/dbraw/zinc/71/82/21/486718221.db2.gz XHYZTZBLOLFICM-SECBINFHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@H+](C[C@H]([NH3+])CC(C)C)C1CC1 37080157 486718368 /nfs/dbraw/zinc/71/83/68/486718368.db2.gz CTLHTLDIPFBBSA-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1CC1 37080157 486718372 /nfs/dbraw/zinc/71/83/72/486718372.db2.gz CTLHTLDIPFBBSA-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+](C)C1CC1 37081287 486718387 /nfs/dbraw/zinc/71/83/87/486718387.db2.gz XHYZTZBLOLFICM-VIFPVBQESA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CC1 37081287 486718390 /nfs/dbraw/zinc/71/83/90/486718390.db2.gz XHYZTZBLOLFICM-VIFPVBQESA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1CC1 37080158 486718439 /nfs/dbraw/zinc/71/84/39/486718439.db2.gz CTLHTLDIPFBBSA-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1CC1 37080158 486718442 /nfs/dbraw/zinc/71/84/42/486718442.db2.gz CTLHTLDIPFBBSA-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@H+](C)C[C@H]([NH3+])CC(C)C 37079003 486718479 /nfs/dbraw/zinc/71/84/79/486718479.db2.gz DWAATGWNSBJIOS-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP CC[N@@H+](C)C[C@H]([NH3+])CC(C)C 37079003 486718480 /nfs/dbraw/zinc/71/84/80/486718480.db2.gz DWAATGWNSBJIOS-SECBINFHSA-N 2 1 158.289 1.312 10 0 ADAEMP CC(C)C[N@@H+](C)CCC[NH2+]C(C)C 37480297 486720461 /nfs/dbraw/zinc/72/04/61/486720461.db2.gz JQYLIUBZCZDTSE-UHFFFAOYSA-N 2 1 186.343 1.962 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725261 486724179 /nfs/dbraw/zinc/72/41/79/486724179.db2.gz BNROVJJIDMISQM-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 40725259 486724199 /nfs/dbraw/zinc/72/41/99/486724199.db2.gz BNROVJJIDMISQM-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CCCCC[N@@H+](C)CC(C)(C)[NH3+] 40925903 486724273 /nfs/dbraw/zinc/72/42/73/486724273.db2.gz BYQUZZRLMXVABM-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(C)C)C1 40592430 486724361 /nfs/dbraw/zinc/72/43/61/486724361.db2.gz PWFLYUHVMMHMDG-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[N@@H+](C)CCC[NH2+]C 42409502 486725172 /nfs/dbraw/zinc/72/51/72/486725172.db2.gz ICIKFEIJTNZOJU-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CCCC[N@@H+](CC)CCC[NH2+]C 42409393 486725192 /nfs/dbraw/zinc/72/51/92/486725192.db2.gz FXJSWFNWVZPLEF-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)CC(C)C 42409519 486725645 /nfs/dbraw/zinc/72/56/45/486725645.db2.gz GXAULSACRCYIED-UHFFFAOYSA-N 2 1 158.289 1.184 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CCC[NH2+]C 42409501 486725758 /nfs/dbraw/zinc/72/57/58/486725758.db2.gz ICIKFEIJTNZOJU-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[N@@H+](CCC[NH2+]C)C1CC1 42409512 486726039 /nfs/dbraw/zinc/72/60/39/486726039.db2.gz FOUJZOUUEFBNPY-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49710290 486734483 /nfs/dbraw/zinc/73/44/83/486734483.db2.gz XMKPZYDZYKGJHW-DCAQKATOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49710289 486734490 /nfs/dbraw/zinc/73/44/90/486734490.db2.gz XMKPZYDZYKGJHW-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889456 486742805 /nfs/dbraw/zinc/74/28/05/486742805.db2.gz FQVWGRBDGPUIHK-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889454 486743252 /nfs/dbraw/zinc/74/32/52/486743252.db2.gz FQVWGRBDGPUIHK-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C(C)C 52378095 486745288 /nfs/dbraw/zinc/74/52/88/486745288.db2.gz AEFUJBCDJZMAMC-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]C(C)C 52378097 486745327 /nfs/dbraw/zinc/74/53/27/486745327.db2.gz AEFUJBCDJZMAMC-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(C)C)C1 53013317 486747091 /nfs/dbraw/zinc/74/70/91/486747091.db2.gz QLJYMWVQTHQIPR-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP CCC[C@H](C)[NH2+]C[C@@H](C)[NH2+]C 53493277 486749258 /nfs/dbraw/zinc/74/92/58/486749258.db2.gz AYEPSWRQENHCJL-DTWKUNHWSA-N 2 1 158.289 1.373 10 0 ADAEMP CCC[C@@H](C)[NH2+]C[C@H](C)[NH2+]C 53493279 486749870 /nfs/dbraw/zinc/74/98/70/486749870.db2.gz AYEPSWRQENHCJL-BDAKNGLRSA-N 2 1 158.289 1.373 10 0 ADAEMP CCC[C@H](C)[NH2+]C[C@H](C)[NH2+]C 53493281 486750043 /nfs/dbraw/zinc/75/00/43/486750043.db2.gz AYEPSWRQENHCJL-IUCAKERBSA-N 2 1 158.289 1.373 10 0 ADAEMP CCC[C@@H](C)[NH2+]C[C@@H](C)[NH2+]C 53493275 486750141 /nfs/dbraw/zinc/75/01/41/486750141.db2.gz AYEPSWRQENHCJL-RKDXNWHRSA-N 2 1 158.289 1.373 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C(C)C 53648909 486752533 /nfs/dbraw/zinc/75/25/33/486752533.db2.gz HDCHDUQFGBPQMF-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@H+]1CCC[C@H]1C[NH2+]C(C)C 53648909 486752538 /nfs/dbraw/zinc/75/25/38/486752538.db2.gz HDCHDUQFGBPQMF-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[C@@H](C)[NH2+]C[C@H](C)[NH2+]C 54077207 486754232 /nfs/dbraw/zinc/75/42/32/486754232.db2.gz KVYQDIAESOEXAJ-ZJUUUORDSA-N 2 1 172.316 1.763 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC(C)(C)C 54077092 486754270 /nfs/dbraw/zinc/75/42/70/486754270.db2.gz QTTSAAXKQJWCSI-MRVPVSSYSA-N 2 1 158.289 1.230 10 0 ADAEMP CCCC[C@@H](C)[NH2+]C[C@@H](C)[NH2+]C 54077205 486754347 /nfs/dbraw/zinc/75/43/47/486754347.db2.gz KVYQDIAESOEXAJ-NXEZZACHSA-N 2 1 172.316 1.763 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC(C)(C)C 54077091 486754605 /nfs/dbraw/zinc/75/46/05/486754605.db2.gz QTTSAAXKQJWCSI-QMMMGPOBSA-N 2 1 158.289 1.230 10 0 ADAEMP CCCC[C@H](C)[NH2+]C[C@H](C)[NH2+]C 54077208 486754766 /nfs/dbraw/zinc/75/47/66/486754766.db2.gz KVYQDIAESOEXAJ-UWVGGRQHSA-N 2 1 172.316 1.763 10 0 ADAEMP CCCC[C@H](C)[NH2+]C[C@@H](C)[NH2+]C 54077206 486754777 /nfs/dbraw/zinc/75/47/77/486754777.db2.gz KVYQDIAESOEXAJ-VHSXEESVSA-N 2 1 172.316 1.763 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@H](C)[NH2+]C 54488907 486758447 /nfs/dbraw/zinc/75/84/47/486758447.db2.gz WTCPLADQYHSDDB-BDAKNGLRSA-N 2 1 158.289 1.230 10 0 ADAEMP CC[C@@H](C)C[NH2+]C[C@@H](C)[NH2+]C 54488903 486758713 /nfs/dbraw/zinc/75/87/13/486758713.db2.gz WTCPLADQYHSDDB-RKDXNWHRSA-N 2 1 158.289 1.230 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@@H](C)[NH2+]C 54488905 486758994 /nfs/dbraw/zinc/75/89/94/486758994.db2.gz WTCPLADQYHSDDB-DTWKUNHWSA-N 2 1 158.289 1.230 10 0 ADAEMP CC[C@H](C)C[NH2+]C[C@H](C)[NH2+]C 54488908 486759134 /nfs/dbraw/zinc/75/91/34/486759134.db2.gz WTCPLADQYHSDDB-IUCAKERBSA-N 2 1 158.289 1.230 10 0 ADAEMP c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1 67172253 486770438 /nfs/dbraw/zinc/77/04/38/486770438.db2.gz CHCGTDQPPHTFGC-GFCCVEGCSA-N 2 1 190.290 1.181 10 0 ADAEMP c1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1 67172254 486770585 /nfs/dbraw/zinc/77/05/85/486770585.db2.gz CHCGTDQPPHTFGC-LBPRGKRZSA-N 2 1 190.290 1.181 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 673754664 486778317 /nfs/dbraw/zinc/77/83/17/486778317.db2.gz BVBOIFFFKGKLNO-LBPRGKRZSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 673754664 486778322 /nfs/dbraw/zinc/77/83/22/486778322.db2.gz BVBOIFFFKGKLNO-LBPRGKRZSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 673754664 486778323 /nfs/dbraw/zinc/77/83/23/486778323.db2.gz BVBOIFFFKGKLNO-LBPRGKRZSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 673754663 486778410 /nfs/dbraw/zinc/77/84/10/486778410.db2.gz BVBOIFFFKGKLNO-GFCCVEGCSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 673754663 486778414 /nfs/dbraw/zinc/77/84/14/486778414.db2.gz BVBOIFFFKGKLNO-GFCCVEGCSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 673754663 486778418 /nfs/dbraw/zinc/77/84/18/486778418.db2.gz BVBOIFFFKGKLNO-GFCCVEGCSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[C@@H]([NH2+]CCC[NH3+])c1nccs1 70634470 486791557 /nfs/dbraw/zinc/79/15/57/486791557.db2.gz JYZASPRDWDMQGP-MRVPVSSYSA-N 2 1 199.323 1.533 10 0 ADAEMP CC[C@H]([NH2+]CCC[NH3+])c1nccs1 70634469 486791607 /nfs/dbraw/zinc/79/16/07/486791607.db2.gz JYZASPRDWDMQGP-QMMMGPOBSA-N 2 1 199.323 1.533 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH2+]C)C1 70798744 486793777 /nfs/dbraw/zinc/79/37/77/486793777.db2.gz GNQOPZWSVHGIAX-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH2+]C)C1 70798740 486793972 /nfs/dbraw/zinc/79/39/72/486793972.db2.gz GNQOPZWSVHGIAX-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]([NH3+])CNc1[nH]c2ccccc2[nH+]1 82575263 486815868 /nfs/dbraw/zinc/81/58/68/486815868.db2.gz QUUWDQZUETWBQV-SSDOTTSWSA-N 2 1 190.250 1.322 10 0 ADAEMP C[C@H]([NH3+])CNc1[nH]c2ccccc2[nH+]1 82575261 486815793 /nfs/dbraw/zinc/81/57/93/486815793.db2.gz QUUWDQZUETWBQV-ZETCQYMHSA-N 2 1 190.250 1.322 10 0 ADAEMP CC[C@H]([NH3+])CNc1cc(C)[nH+]c(C)n1 82579390 486817208 /nfs/dbraw/zinc/81/72/08/486817208.db2.gz DTWCPFLLJQXCOI-VIFPVBQESA-N 2 1 194.282 1.243 10 0 ADAEMP CC[C@@H]([NH3+])CNc1cc(C)[nH+]c(C)n1 82579391 486817528 /nfs/dbraw/zinc/81/75/28/486817528.db2.gz DTWCPFLLJQXCOI-SECBINFHSA-N 2 1 194.282 1.243 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82651667 486823010 /nfs/dbraw/zinc/82/30/10/486823010.db2.gz OCTWMTOUGRSPEO-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 82666654 486823042 /nfs/dbraw/zinc/82/30/42/486823042.db2.gz NZGHDCMTPRRGIO-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666633 486823302 /nfs/dbraw/zinc/82/33/02/486823302.db2.gz OYDDQSGBNLMEFR-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 82666634 486823461 /nfs/dbraw/zinc/82/34/61/486823461.db2.gz OYDDQSGBNLMEFR-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 82666653 486823598 /nfs/dbraw/zinc/82/35/98/486823598.db2.gz NZGHDCMTPRRGIO-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666945 486823711 /nfs/dbraw/zinc/82/37/11/486823711.db2.gz OSUSEMKPAJOHLC-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666947 486823717 /nfs/dbraw/zinc/82/37/17/486823717.db2.gz OSUSEMKPAJOHLC-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1cc(NC[C@@H](C)C[NH3+])nc(C)[nH+]1 83387561 486833106 /nfs/dbraw/zinc/83/31/06/486833106.db2.gz ZGSBUBJOOLDMEK-ZETCQYMHSA-N 2 1 194.282 1.100 10 0 ADAEMP Cc1cc(NC[C@H](C)C[NH3+])nc(C)[nH+]1 83387562 486833805 /nfs/dbraw/zinc/83/38/05/486833805.db2.gz ZGSBUBJOOLDMEK-SSDOTTSWSA-N 2 1 194.282 1.100 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C 83760985 486841411 /nfs/dbraw/zinc/84/14/11/486841411.db2.gz CLNKOZISZASBHX-UWVGGRQHSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C 83760984 486841558 /nfs/dbraw/zinc/84/15/58/486841558.db2.gz CLNKOZISZASBHX-ZJUUUORDSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C 83760987 486841681 /nfs/dbraw/zinc/84/16/81/486841681.db2.gz CLNKOZISZASBHX-VHSXEESVSA-N 2 1 172.316 1.748 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C 83760986 486841735 /nfs/dbraw/zinc/84/17/35/486841735.db2.gz CLNKOZISZASBHX-NXEZZACHSA-N 2 1 172.316 1.748 10 0 ADAEMP [NH3+]C[C@@H]([NH2+]Cc1ccccc1)C1CC1 83764369 486841832 /nfs/dbraw/zinc/84/18/32/486841832.db2.gz CUADNXGPAROPIZ-GFCCVEGCSA-N 2 1 190.290 1.514 10 0 ADAEMP [NH3+]C[C@H]([NH2+]Cc1ccccc1)C1CC1 83764367 486841851 /nfs/dbraw/zinc/84/18/51/486841851.db2.gz CUADNXGPAROPIZ-LBPRGKRZSA-N 2 1 190.290 1.514 10 0 ADAEMP C[NH+]1CCC(C[N@@H+](C)CC2CC2)CC1 675639792 486845554 /nfs/dbraw/zinc/84/55/54/486845554.db2.gz VNAGFCMIYACGQZ-UHFFFAOYSA-N 2 1 196.338 1.670 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H](C)CC[C@H]1C 84046344 486851060 /nfs/dbraw/zinc/85/10/60/486851060.db2.gz DGHSMRBXZAOSMT-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@@H](C)CC[C@H]1C 84046347 486851103 /nfs/dbraw/zinc/85/11/03/486851103.db2.gz DGHSMRBXZAOSMT-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@@H](C)CC[C@@H]1C 84046341 486851136 /nfs/dbraw/zinc/85/11/36/486851136.db2.gz DGHSMRBXZAOSMT-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 84048090 486851588 /nfs/dbraw/zinc/85/15/88/486851588.db2.gz JGQRHCYGYRYBQW-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H](C)CC[C@@H]1C 84046339 486851633 /nfs/dbraw/zinc/85/16/33/486851633.db2.gz DGHSMRBXZAOSMT-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]C1 84048082 486851669 /nfs/dbraw/zinc/85/16/69/486851669.db2.gz JGQRHCYGYRYBQW-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CCC[NH3+] 84125214 486853516 /nfs/dbraw/zinc/85/35/16/486853516.db2.gz GKHSPJRSVLGLAQ-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1CCC[NH3+] 84125216 486853636 /nfs/dbraw/zinc/85/36/36/486853636.db2.gz GKHSPJRSVLGLAQ-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP CCc1cc(NCCC[NH3+])nc(C)[nH+]1 84081966 486854032 /nfs/dbraw/zinc/85/40/32/486854032.db2.gz DNIOQUKCNPDNLK-UHFFFAOYSA-N 2 1 194.282 1.108 10 0 ADAEMP CCc1cc(N[C@H](C)C[NH3+])nc(C)[nH+]1 84082148 486854093 /nfs/dbraw/zinc/85/40/93/486854093.db2.gz VOJKBGXRCFZDJK-SSDOTTSWSA-N 2 1 194.282 1.107 10 0 ADAEMP C[N@H+]1CC[C@H]([NH2+]C2CC2)CC1(C)C 84447648 486861936 /nfs/dbraw/zinc/86/19/36/486861936.db2.gz RVHXODPSVQOUIG-JTQLQIEISA-N 2 1 182.311 1.611 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 84449235 486861969 /nfs/dbraw/zinc/86/19/69/486861969.db2.gz TWGDUIPTEFUIFB-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH2+]C2CC2)CC1(C)C 84447646 486862025 /nfs/dbraw/zinc/86/20/25/486862025.db2.gz RVHXODPSVQOUIG-SNVBAGLBSA-N 2 1 182.311 1.611 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 84449233 486862129 /nfs/dbraw/zinc/86/21/29/486862129.db2.gz TWGDUIPTEFUIFB-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 84449232 486862346 /nfs/dbraw/zinc/86/23/46/486862346.db2.gz JXYWMQGQMCKCRC-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 84449230 486862643 /nfs/dbraw/zinc/86/26/43/486862643.db2.gz JXYWMQGQMCKCRC-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282129 486867927 /nfs/dbraw/zinc/86/79/27/486867927.db2.gz DVTQZFHQMWHVED-MXWKQRLJSA-N 2 1 182.311 1.182 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282130 486868011 /nfs/dbraw/zinc/86/80/11/486868011.db2.gz DVTQZFHQMWHVED-GARJFASQSA-N 2 1 182.311 1.182 10 0 ADAEMP CCC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282281 486868383 /nfs/dbraw/zinc/86/83/83/486868383.db2.gz DVKYRRMXIRPPHB-SDDRHHMPSA-N 2 1 196.338 1.574 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282280 486868412 /nfs/dbraw/zinc/86/84/12/486868412.db2.gz DVKYRRMXIRPPHB-UTUOFQBUSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]CCC[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009382 486870991 /nfs/dbraw/zinc/87/09/91/486870991.db2.gz HHCRCAJDRGVTKD-AOOOYVTPSA-N 2 1 170.300 1.184 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H]1C 86015378 486872644 /nfs/dbraw/zinc/87/26/44/486872644.db2.gz PIKYFDPHDAVRNN-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015541 486872680 /nfs/dbraw/zinc/87/26/80/486872680.db2.gz LKQVSXGGWNORIN-GRYCIOLGSA-N 2 1 198.354 1.948 10 0 ADAEMP CCC[N@H+](C)CCCn1cc[nH+]c1C 677046254 486875784 /nfs/dbraw/zinc/87/57/84/486875784.db2.gz IFWGHSDNCRBEFQ-UHFFFAOYSA-N 2 1 195.310 1.923 10 0 ADAEMP CCC[N@@H+](C)CCCn1cc[nH+]c1C 677046254 486875789 /nfs/dbraw/zinc/87/57/89/486875789.db2.gz IFWGHSDNCRBEFQ-UHFFFAOYSA-N 2 1 195.310 1.923 10 0 ADAEMP CCCCC[NH2+][C@H]1CC[NH2+]C1 86724421 486884414 /nfs/dbraw/zinc/88/44/14/486884414.db2.gz YJBMEHPRZRUDNF-VIFPVBQESA-N 2 1 156.273 1.128 10 0 ADAEMP C1=C(CC[NH2+][C@@H]2CC[NH2+]C2)CCCC1 86725011 486884451 /nfs/dbraw/zinc/88/44/51/486884451.db2.gz CECRUSXRVMNFOO-GFCCVEGCSA-N 2 1 194.322 1.828 10 0 ADAEMP CCCCC[NH2+][C@@H]1CC[NH2+]C1 86724418 486884548 /nfs/dbraw/zinc/88/45/48/486884548.db2.gz YJBMEHPRZRUDNF-SECBINFHSA-N 2 1 156.273 1.128 10 0 ADAEMP C1=C(CC[NH2+][C@H]2CC[NH2+]C2)CCCC1 86725015 486884746 /nfs/dbraw/zinc/88/47/46/486884746.db2.gz CECRUSXRVMNFOO-LBPRGKRZSA-N 2 1 194.322 1.828 10 0 ADAEMP C1CCC(CC[NH2+][C@H]2CC[NH2+]C2)C1 86728367 486885380 /nfs/dbraw/zinc/88/53/80/486885380.db2.gz XZOSKIOEBYWINH-NSHDSACASA-N 2 1 182.311 1.518 10 0 ADAEMP C1CCC(CC[NH2+][C@@H]2CC[NH2+]C2)C1 86728365 486885668 /nfs/dbraw/zinc/88/56/68/486885668.db2.gz XZOSKIOEBYWINH-LLVKDONJSA-N 2 1 182.311 1.518 10 0 ADAEMP C[C@@H]([NH3+])CNc1cc[nH+]cc1Cl 86839953 486886654 /nfs/dbraw/zinc/88/66/54/486886654.db2.gz PCRPNARLIKVFDI-ZCFIWIBFSA-N 2 1 185.658 1.494 10 0 ADAEMP CC[C@H]([NH3+])CNc1cc[nH+]cc1Cl 86839961 486886897 /nfs/dbraw/zinc/88/68/97/486886897.db2.gz ANBGNUNEJXCJCO-ZETCQYMHSA-N 2 1 199.685 1.884 10 0 ADAEMP CN(CCC[NH3+])c1cc[nH+]cc1Cl 86832914 486887051 /nfs/dbraw/zinc/88/70/51/486887051.db2.gz MYTJKEABMODZGE-UHFFFAOYSA-N 2 1 199.685 1.520 10 0 ADAEMP C[C@@H]([NH3+])CCNc1cc[nH+]cc1Cl 86839847 486887152 /nfs/dbraw/zinc/88/71/52/486887152.db2.gz IMWQYRCWLNRDSX-SSDOTTSWSA-N 2 1 199.685 1.884 10 0 ADAEMP CC[NH2+]CCNc1cc[nH+]cc1Cl 86839813 486887351 /nfs/dbraw/zinc/88/73/51/486887351.db2.gz XKLVXUFGTNDCAH-UHFFFAOYSA-N 2 1 199.685 1.756 10 0 ADAEMP [NH3+]CCCNc1cc[nH+]cc1Cl 86832974 486887364 /nfs/dbraw/zinc/88/73/64/486887364.db2.gz DTGYUDGLLXCTDE-UHFFFAOYSA-N 2 1 185.658 1.496 10 0 ADAEMP C[C@H]([NH3+])CNc1cc[nH+]cc1Cl 86839950 486887411 /nfs/dbraw/zinc/88/74/11/486887411.db2.gz PCRPNARLIKVFDI-LURJTMIESA-N 2 1 185.658 1.494 10 0 ADAEMP C[NH2+]CCNc1cc[nH+]cc1Cl 86839811 486887629 /nfs/dbraw/zinc/88/76/29/486887629.db2.gz JUKCLPZLXMGDNG-UHFFFAOYSA-N 2 1 185.658 1.366 10 0 ADAEMP CCN(CC[NH3+])c1cc[nH+]cc1Cl 86841309 486888326 /nfs/dbraw/zinc/88/83/26/486888326.db2.gz CGTILYIYKKGDEK-UHFFFAOYSA-N 2 1 199.685 1.520 10 0 ADAEMP CC[C@@H]([NH3+])CNc1cc[nH+]cc1Cl 86839964 486888543 /nfs/dbraw/zinc/88/85/43/486888543.db2.gz ANBGNUNEJXCJCO-SSDOTTSWSA-N 2 1 199.685 1.884 10 0 ADAEMP C[C@@H](C[NH3+])CNc1cc[nH+]cc1Cl 86841375 486888551 /nfs/dbraw/zinc/88/85/51/486888551.db2.gz PZFIYZCAHBAEJL-ZETCQYMHSA-N 2 1 199.685 1.742 10 0 ADAEMP C[C@H](C[NH3+])CNc1cc[nH+]cc1Cl 86841378 486888586 /nfs/dbraw/zinc/88/85/86/486888586.db2.gz PZFIYZCAHBAEJL-SSDOTTSWSA-N 2 1 199.685 1.742 10 0 ADAEMP Cc1cc[nH+]c(N[C@@H](C)CCC[NH3+])c1 87362191 486894338 /nfs/dbraw/zinc/89/43/38/486894338.db2.gz DYTVWWSOORFVQW-JTQLQIEISA-N 2 1 193.294 1.929 10 0 ADAEMP Cc1cc[nH+]c(N[C@H](C)CCC[NH3+])c1 87362192 486894476 /nfs/dbraw/zinc/89/44/76/486894476.db2.gz DYTVWWSOORFVQW-SNVBAGLBSA-N 2 1 193.294 1.929 10 0 ADAEMP Cc1cccc(N[C@@H](C)CCC[NH3+])[nH+]1 87362267 486895403 /nfs/dbraw/zinc/89/54/03/486895403.db2.gz QQGZTGRPQVKOPX-JTQLQIEISA-N 2 1 193.294 1.929 10 0 ADAEMP Cc1cccc(N[C@H](C)CCC[NH3+])[nH+]1 87362268 486895699 /nfs/dbraw/zinc/89/56/99/486895699.db2.gz QQGZTGRPQVKOPX-SNVBAGLBSA-N 2 1 193.294 1.929 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)CCC[NH2+]C 87472164 486896701 /nfs/dbraw/zinc/89/67/01/486896701.db2.gz YIWNPFKCJMNLEO-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)CCC[NH2+]C 87472163 486896828 /nfs/dbraw/zinc/89/68/28/486896828.db2.gz YIWNPFKCJMNLEO-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCCC[N@@H+](C)C1CC([NH3+])C1 87653163 486899158 /nfs/dbraw/zinc/89/91/58/486899158.db2.gz FFZIFLVHWTXJQJ-UHFFFAOYSA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCF 88025599 486906808 /nfs/dbraw/zinc/90/68/08/486906808.db2.gz FLLUMSKKAJFPGE-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+]1CCCF 88025599 486906813 /nfs/dbraw/zinc/90/68/13/486906813.db2.gz FLLUMSKKAJFPGE-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCF 88025598 486906851 /nfs/dbraw/zinc/90/68/51/486906851.db2.gz FLLUMSKKAJFPGE-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCF 88025598 486906859 /nfs/dbraw/zinc/90/68/59/486906859.db2.gz FLLUMSKKAJFPGE-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP [NH3+]C1(C[NH2+]Cc2ccccc2)CCC1 88051855 486908111 /nfs/dbraw/zinc/90/81/11/486908111.db2.gz DUDZPTYBNISXQB-UHFFFAOYSA-N 2 1 190.290 1.658 10 0 ADAEMP Cc1[nH+]ccn1CC[N@@H+](C)CC1CC1 677980884 486910666 /nfs/dbraw/zinc/91/06/66/486910666.db2.gz MSKXGODSPGWSNB-UHFFFAOYSA-N 2 1 193.294 1.533 10 0 ADAEMP Cc1[nH+]ccn1CC[N@H+](C)CC1CC1 677980884 486910670 /nfs/dbraw/zinc/91/06/70/486910670.db2.gz MSKXGODSPGWSNB-UHFFFAOYSA-N 2 1 193.294 1.533 10 0 ADAEMP C[NH+]1CCC[C@H]1CC[N@H+](C)CC1CC1 678073138 486916945 /nfs/dbraw/zinc/91/69/45/486916945.db2.gz NCQPBADJNYYKAU-LBPRGKRZSA-N 2 1 196.338 1.813 10 0 ADAEMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CC1 678073138 486916948 /nfs/dbraw/zinc/91/69/48/486916948.db2.gz NCQPBADJNYYKAU-LBPRGKRZSA-N 2 1 196.338 1.813 10 0 ADAEMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CC1 678073138 486916952 /nfs/dbraw/zinc/91/69/52/486916952.db2.gz NCQPBADJNYYKAU-LBPRGKRZSA-N 2 1 196.338 1.813 10 0 ADAEMP C[NH+]1CCC[C@@H]1CC[N@H+](C)CC1CC1 678073133 486917058 /nfs/dbraw/zinc/91/70/58/486917058.db2.gz NCQPBADJNYYKAU-GFCCVEGCSA-N 2 1 196.338 1.813 10 0 ADAEMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CC1 678073133 486917061 /nfs/dbraw/zinc/91/70/61/486917061.db2.gz NCQPBADJNYYKAU-GFCCVEGCSA-N 2 1 196.338 1.813 10 0 ADAEMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1CC1 678073133 486917065 /nfs/dbraw/zinc/91/70/65/486917065.db2.gz NCQPBADJNYYKAU-GFCCVEGCSA-N 2 1 196.338 1.813 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](CCC[NH3+])C1 108289172 486922146 /nfs/dbraw/zinc/92/21/46/486922146.db2.gz ASLBYVQISZFMBT-JTQLQIEISA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](CCC[NH3+])C1 108289169 486922454 /nfs/dbraw/zinc/92/24/54/486922454.db2.gz ASLBYVQISZFMBT-SNVBAGLBSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H]1CCCCC[N@H+]1CCC[NH3+] 108297465 486922502 /nfs/dbraw/zinc/92/25/02/486922502.db2.gz YPDYGJGTYGNPFJ-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP CC[C@H]1CCCCC[N@H+]1CCC[NH3+] 108297467 486922568 /nfs/dbraw/zinc/92/25/68/486922568.db2.gz YPDYGJGTYGNPFJ-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CC[C@@H]1C[N@@H+](CCCF)CC[C@@H]1[NH3+] 147506558 486955673 /nfs/dbraw/zinc/95/56/73/486955673.db2.gz GDAGKMADKACVIC-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@H]1C[N@@H+](CCCF)CC[C@@H]1[NH3+] 147506733 486956136 /nfs/dbraw/zinc/95/61/36/486956136.db2.gz GDAGKMADKACVIC-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC(C)CCC[N@@H+]1CCC[C@H]1C[NH3+] 147449774 486956266 /nfs/dbraw/zinc/95/62/66/486956266.db2.gz WURWXTOVNQUDFE-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CCC[N@H+]1CCC[C@H]1C[NH3+] 147449774 486956274 /nfs/dbraw/zinc/95/62/74/486956274.db2.gz WURWXTOVNQUDFE-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CCC[N@@H+]1CCC[C@@H]1C[NH3+] 147449544 486956329 /nfs/dbraw/zinc/95/63/29/486956329.db2.gz WURWXTOVNQUDFE-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CCC[N@H+]1CCC[C@@H]1C[NH3+] 147449544 486956335 /nfs/dbraw/zinc/95/63/35/486956335.db2.gz WURWXTOVNQUDFE-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@H]([NH2+]C)C1 150044913 486961287 /nfs/dbraw/zinc/96/12/87/486961287.db2.gz IILZFUPVTQBRHD-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@H]([NH2+]C)C1 150044913 486961291 /nfs/dbraw/zinc/96/12/91/486961291.db2.gz IILZFUPVTQBRHD-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH2+]C)C1 150045142 486961326 /nfs/dbraw/zinc/96/13/26/486961326.db2.gz IILZFUPVTQBRHD-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@H]([NH2+]C)C1 150045142 486961329 /nfs/dbraw/zinc/96/13/29/486961329.db2.gz IILZFUPVTQBRHD-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C(C[NH2+][C@H]1CC[NH2+]C1)CC1CC1 156850934 486963582 /nfs/dbraw/zinc/96/35/82/486963582.db2.gz ZDDVWMXTZRKBMZ-JTQLQIEISA-N 2 1 168.284 1.128 10 0 ADAEMP C(C[NH2+][C@@H]1CC[NH2+]C1)CC1CC1 156850796 486963875 /nfs/dbraw/zinc/96/38/75/486963875.db2.gz ZDDVWMXTZRKBMZ-SNVBAGLBSA-N 2 1 168.284 1.128 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@]1(C)CC[NH2+]C1 157941449 486967628 /nfs/dbraw/zinc/96/76/28/486967628.db2.gz YAUVHCIAYMEBNL-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 157941724 486967675 /nfs/dbraw/zinc/96/76/75/486967675.db2.gz YAUVHCIAYMEBNL-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C 160562993 486976124 /nfs/dbraw/zinc/97/61/24/486976124.db2.gz GBJKOIFHEGQFDG-AEJSXWLSSA-N 2 1 170.300 1.515 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 160562707 486976197 /nfs/dbraw/zinc/97/61/97/486976197.db2.gz GBJKOIFHEGQFDG-IVZWLZJFSA-N 2 1 170.300 1.515 10 0 ADAEMP C[N@@H+](CCC[NH3+])CCOC(C)(C)C 160934109 486978728 /nfs/dbraw/zinc/97/87/28/486978728.db2.gz RNZKZRPZJIOHJZ-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@H](C)C[NH2+][C@H](C)C[NH3+] 162059071 486981049 /nfs/dbraw/zinc/98/10/49/486981049.db2.gz ILJIAOFHRPZZRE-RKDXNWHRSA-N 2 1 158.289 1.359 10 0 ADAEMP CC1CCC(C[NH2+][C@H](C)C[NH3+])CC1 162004397 486981183 /nfs/dbraw/zinc/98/11/83/486981183.db2.gz MCZHVDJVJTVEKJ-HSOILSAZSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[C@H](C)C[NH2+][C@H](C)C[NH3+] 162059211 486981343 /nfs/dbraw/zinc/98/13/43/486981343.db2.gz ILJIAOFHRPZZRE-DTWKUNHWSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[C@@H](C)C[NH2+][C@H](C)C[NH2+]C 162166082 486981966 /nfs/dbraw/zinc/98/19/66/486981966.db2.gz OJKMQQXIZDKHQB-NXEZZACHSA-N 2 1 172.316 1.620 10 0 ADAEMP CCC[C@H](C)C[NH2+][C@H](C)C[NH2+]C 162166209 486982230 /nfs/dbraw/zinc/98/22/30/486982230.db2.gz OJKMQQXIZDKHQB-VHSXEESVSA-N 2 1 172.316 1.620 10 0 ADAEMP CCC[C@H](C)C[NH2+][C@@H](C)C[NH2+]C 162165933 486982566 /nfs/dbraw/zinc/98/25/66/486982566.db2.gz OJKMQQXIZDKHQB-UWVGGRQHSA-N 2 1 172.316 1.620 10 0 ADAEMP CCC[C@@H](C)C[NH2+][C@@H](C)C[NH2+]C 162165813 486982826 /nfs/dbraw/zinc/98/28/26/486982826.db2.gz OJKMQQXIZDKHQB-ZJUUUORDSA-N 2 1 172.316 1.620 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C[C@H](C)C(C)(C)C 162952790 486984774 /nfs/dbraw/zinc/98/47/74/486984774.db2.gz QXKFLQZBSUQDFF-VHSXEESVSA-N 2 1 186.343 1.866 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C[C@H](C)C(C)(C)C 162953026 486985119 /nfs/dbraw/zinc/98/51/19/486985119.db2.gz QXKFLQZBSUQDFF-UWVGGRQHSA-N 2 1 186.343 1.866 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C[C@@H](C)C(C)(C)C 162953121 486985185 /nfs/dbraw/zinc/98/51/85/486985185.db2.gz QXKFLQZBSUQDFF-ZJUUUORDSA-N 2 1 186.343 1.866 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C[C@@H](C)C(C)(C)C 162952917 486985693 /nfs/dbraw/zinc/98/56/93/486985693.db2.gz QXKFLQZBSUQDFF-NXEZZACHSA-N 2 1 186.343 1.866 10 0 ADAEMP Cc1cccc(N[C@@H](C)C[C@@H](C)[NH3+])[nH+]1 165726930 486993374 /nfs/dbraw/zinc/99/33/74/486993374.db2.gz LJOXEFAUIMHSPY-SCZZXKLOSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1cccc(N[C@H](C)C[C@@H](C)[NH3+])[nH+]1 165727054 486993400 /nfs/dbraw/zinc/99/34/00/486993400.db2.gz LJOXEFAUIMHSPY-PSASIEDQSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1cccc(N[C@@H](C)C[C@H](C)[NH3+])[nH+]1 165727185 486993428 /nfs/dbraw/zinc/99/34/28/486993428.db2.gz LJOXEFAUIMHSPY-WPRPVWTQSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1cccc(N[C@H](C)C[C@H](C)[NH3+])[nH+]1 165727302 486993525 /nfs/dbraw/zinc/99/35/25/486993525.db2.gz LJOXEFAUIMHSPY-WCBMZHEXSA-N 2 1 193.294 1.928 10 0 ADAEMP CO[C@@H](C)C[N@@H+](CCC[NH3+])C(C)C 166951547 486996534 /nfs/dbraw/zinc/99/65/34/486996534.db2.gz HKMNYFFSYNGTOJ-JTQLQIEISA-N 2 1 188.315 1.081 10 0 ADAEMP CO[C@H](C)C[N@@H+](CCC[NH3+])C(C)C 166951430 486996606 /nfs/dbraw/zinc/99/66/06/486996606.db2.gz HKMNYFFSYNGTOJ-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@H]1CCC[NH2+]C1 220387031 487031092 /nfs/dbraw/zinc/03/10/92/487031092.db2.gz HLJKLWPHJSWQBC-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH2+]C)C1 221284124 487032131 /nfs/dbraw/zinc/03/21/31/487032131.db2.gz GNQOPZWSVHGIAX-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH2+]C)C1 221284069 487032349 /nfs/dbraw/zinc/03/23/49/487032349.db2.gz GNQOPZWSVHGIAX-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@]1(C)CC[NH2+]C1 222606871 487033902 /nfs/dbraw/zinc/03/39/02/487033902.db2.gz YAUVHCIAYMEBNL-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 222606736 487033916 /nfs/dbraw/zinc/03/39/16/487033916.db2.gz YAUVHCIAYMEBNL-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])C1 224207171 487038648 /nfs/dbraw/zinc/03/86/48/487038648.db2.gz WZFYVSZCPMOOSQ-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@H](C[NH3+])C1 224207118 487038904 /nfs/dbraw/zinc/03/89/04/487038904.db2.gz WZFYVSZCPMOOSQ-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH3+] 225138183 487040993 /nfs/dbraw/zinc/04/09/93/487040993.db2.gz ILKNDZFFIZSMJP-WOPDTQHZSA-N 2 1 198.354 1.996 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 224884820 487041035 /nfs/dbraw/zinc/04/10/35/487041035.db2.gz OCTWMTOUGRSPEO-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[N@H+]1CC2CC1(C[NH3+])C2 225861391 487045815 /nfs/dbraw/zinc/04/58/15/487045815.db2.gz WUXYQJPYVGMEFH-UHFFFAOYSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(C)C)C1 226631388 487052463 /nfs/dbraw/zinc/05/24/63/487052463.db2.gz QLJYMWVQTHQIPR-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 226761827 487053872 /nfs/dbraw/zinc/05/38/72/487053872.db2.gz BNROVJJIDMISQM-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 228065098 487057020 /nfs/dbraw/zinc/05/70/20/487057020.db2.gz FQDJGWXKUQAZCK-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[N@@H+](CCC[NH3+])C1CCC1 228582516 487060766 /nfs/dbraw/zinc/06/07/66/487060766.db2.gz GKBFMTITPAXYGK-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 229063237 487064577 /nfs/dbraw/zinc/06/45/77/487064577.db2.gz XBHKFSGAAJGMLI-VWYCJHECSA-N 2 1 184.327 1.702 10 0 ADAEMP C1C[C@@H]([NH2+]CC2(C3CC3)CC2)C[NH2+]1 232455245 487082237 /nfs/dbraw/zinc/08/22/37/487082237.db2.gz PONBMSIOOVQAPI-SNVBAGLBSA-N 2 1 180.295 1.128 10 0 ADAEMP CC(C)CCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 232540118 487082537 /nfs/dbraw/zinc/08/25/37/487082537.db2.gz FURJJULHYAOMNA-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP C1C[C@H]([NH2+]CC2(C3CC3)CC2)C[NH2+]1 232474736 487083051 /nfs/dbraw/zinc/08/30/51/487083051.db2.gz PONBMSIOOVQAPI-JTQLQIEISA-N 2 1 180.295 1.128 10 0 ADAEMP CC(C)([NH2+]CCC[NH3+])c1nccs1 232557159 487083418 /nfs/dbraw/zinc/08/34/18/487083418.db2.gz NAXUSZUCFGSWLT-UHFFFAOYSA-N 2 1 199.323 1.317 10 0 ADAEMP CC(C)CCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232540000 487083427 /nfs/dbraw/zinc/08/34/27/487083427.db2.gz FURJJULHYAOMNA-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 232721438 487084583 /nfs/dbraw/zinc/08/45/83/487084583.db2.gz OJPOKHUBRIEKOZ-SNVBAGLBSA-N 2 1 182.311 1.374 10 0 ADAEMP CC(C)C1(C[NH2+][C@H]2CC[NH2+]C2)CC1 232728375 487084811 /nfs/dbraw/zinc/08/48/11/487084811.db2.gz OJPOKHUBRIEKOZ-JTQLQIEISA-N 2 1 182.311 1.374 10 0 ADAEMP CCC(CC)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232867169 487085247 /nfs/dbraw/zinc/08/52/47/487085247.db2.gz ZACLFJIWNVQKNF-KOLCDFICSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC(CC)C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 232867710 487086015 /nfs/dbraw/zinc/08/60/15/487086015.db2.gz ZACLFJIWNVQKNF-ONGXEEELSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC1(C[NH2+][C@H]2CC[NH2+]C2)CC1 232887100 487086483 /nfs/dbraw/zinc/08/64/83/487086483.db2.gz PMBKWCYKJADQGU-VIFPVBQESA-N 2 1 168.284 1.128 10 0 ADAEMP CC1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CCC1 232889654 487086512 /nfs/dbraw/zinc/08/65/12/487086512.db2.gz NFMKRVHZDAKVBB-NSHDSACASA-N 2 1 196.338 1.908 10 0 ADAEMP CCC1(C[NH2+][C@H]2CC[NH2+]C2)CCC1 232887162 487086563 /nfs/dbraw/zinc/08/65/63/487086563.db2.gz ZGXIJTWZULZGGY-JTQLQIEISA-N 2 1 182.311 1.518 10 0 ADAEMP CC1(C[NH2+]C[C@H]2CCCC[NH2+]2)CCC1 232908275 487086733 /nfs/dbraw/zinc/08/67/33/487086733.db2.gz NFMKRVHZDAKVBB-LLVKDONJSA-N 2 1 196.338 1.908 10 0 ADAEMP CCCCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 232991544 487087707 /nfs/dbraw/zinc/08/77/07/487087707.db2.gz NLRZWCISWWCSAH-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232991081 487088362 /nfs/dbraw/zinc/08/83/62/487088362.db2.gz NLRZWCISWWCSAH-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 233089689 487088895 /nfs/dbraw/zinc/08/88/95/487088895.db2.gz PMBKWCYKJADQGU-SECBINFHSA-N 2 1 168.284 1.128 10 0 ADAEMP CCC1(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 233089697 487088956 /nfs/dbraw/zinc/08/89/56/487088956.db2.gz ZGXIJTWZULZGGY-SNVBAGLBSA-N 2 1 182.311 1.518 10 0 ADAEMP CCCC1(C[NH2+][C@@H]2CC[NH2+]C2)CC1 233035651 487089209 /nfs/dbraw/zinc/08/92/09/487089209.db2.gz FWMWSKPJPZMNIC-SNVBAGLBSA-N 2 1 182.311 1.518 10 0 ADAEMP CCCC1(C[NH2+][C@H]2CC[NH2+]C2)CC1 233042741 487089547 /nfs/dbraw/zinc/08/95/47/487089547.db2.gz FWMWSKPJPZMNIC-JTQLQIEISA-N 2 1 182.311 1.518 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[NH2+]C1 233309800 487090041 /nfs/dbraw/zinc/09/00/41/487090041.db2.gz TUZAHYHCGUYQDW-OPRDCNLKSA-N 2 1 168.284 1.127 10 0 ADAEMP CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 233326417 487090616 /nfs/dbraw/zinc/09/06/16/487090616.db2.gz CWUSSRAGFGDHQF-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP CC[NH2+]CC[NH2+]CC1(C)CCC1 233515196 487091634 /nfs/dbraw/zinc/09/16/34/487091634.db2.gz WCBCGHKWYKLFIA-UHFFFAOYSA-N 2 1 170.300 1.376 10 0 ADAEMP CCC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C 233339026 487091664 /nfs/dbraw/zinc/09/16/64/487091664.db2.gz HPICUKBCGCLOFP-AXFHLTTASA-N 2 1 184.327 1.905 10 0 ADAEMP CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 233338755 487091867 /nfs/dbraw/zinc/09/18/67/487091867.db2.gz HPICUKBCGCLOFP-HBNTYKKESA-N 2 1 184.327 1.905 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 233978259 487093461 /nfs/dbraw/zinc/09/34/61/487093461.db2.gz WSOWNBVEOUOQEK-AEJSXWLSSA-N 2 1 170.300 1.312 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]CC1(C)CCC1 234431458 487097073 /nfs/dbraw/zinc/09/70/73/487097073.db2.gz IQHCJEPGDWTQGD-VIFPVBQESA-N 2 1 170.300 1.374 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]CC1(C)CCC1 234437636 487097425 /nfs/dbraw/zinc/09/74/25/487097425.db2.gz IQHCJEPGDWTQGD-SECBINFHSA-N 2 1 170.300 1.374 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](CC2(C)CCC2)C1 234511200 487097460 /nfs/dbraw/zinc/09/74/60/487097460.db2.gz VJAAAAGMWQMVDH-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2(C)CCC2)C1 234511200 487097465 /nfs/dbraw/zinc/09/74/65/487097465.db2.gz VJAAAAGMWQMVDH-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](CC2(C)CCC2)C1 234449236 487097536 /nfs/dbraw/zinc/09/75/36/487097536.db2.gz VJAAAAGMWQMVDH-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2(C)CCC2)C1 234449236 487097538 /nfs/dbraw/zinc/09/75/38/487097538.db2.gz VJAAAAGMWQMVDH-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CC1(C)CCC1 235449681 487103208 /nfs/dbraw/zinc/10/32/08/487103208.db2.gz RJHZASMUOIKYLA-MRVPVSSYSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@H]([NH2+][C@H](C)C[NH3+])C(C)(C)C 235458314 487103327 /nfs/dbraw/zinc/10/33/27/487103327.db2.gz HCMACSRLNWWJIE-SFYZADRCSA-N 2 1 158.289 1.358 10 0 ADAEMP C[C@H](C[NH3+])[NH2+][C@H](C)C(C)(C)C 235461131 487104919 /nfs/dbraw/zinc/10/49/19/487104919.db2.gz HCMACSRLNWWJIE-HTQZYQBOSA-N 2 1 158.289 1.358 10 0 ADAEMP CC(C)=CCC[N@@H+]1CC[C@@H]([NH3+])C1 238145790 487108131 /nfs/dbraw/zinc/10/81/31/487108131.db2.gz CTYXSDLRJZVECT-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)=CCC[N@H+]1CC[C@@H]([NH3+])C1 238145790 487108138 /nfs/dbraw/zinc/10/81/38/487108138.db2.gz CTYXSDLRJZVECT-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)=CCC[N@@H+]1CC[C@H]([NH3+])C1 238145872 487108293 /nfs/dbraw/zinc/10/82/93/487108293.db2.gz CTYXSDLRJZVECT-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)=CCC[N@H+]1CC[C@H]([NH3+])C1 238145872 487108297 /nfs/dbraw/zinc/10/82/97/487108297.db2.gz CTYXSDLRJZVECT-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)=CCC[N@@H+]1CCC[C@H]1C[NH3+] 238145631 487108768 /nfs/dbraw/zinc/10/87/68/487108768.db2.gz BHUJTKHVUYVEKY-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP CC(C)=CCC[N@H+]1CCC[C@H]1C[NH3+] 238145631 487108772 /nfs/dbraw/zinc/10/87/72/487108772.db2.gz BHUJTKHVUYVEKY-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCC1CCCC1 238559157 487110024 /nfs/dbraw/zinc/11/00/24/487110024.db2.gz KEHXDQUJCHDWDU-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCC1CCCC1 238559157 487110028 /nfs/dbraw/zinc/11/00/28/487110028.db2.gz KEHXDQUJCHDWDU-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H]1C[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C 684209146 487112823 /nfs/dbraw/zinc/11/28/23/487112823.db2.gz ZLEWEULPIIWEBH-IJLUTSLNSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C 684209145 487112895 /nfs/dbraw/zinc/11/28/95/487112895.db2.gz ZLEWEULPIIWEBH-GRYCIOLGSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@H]1C[C@@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C 684209145 487112899 /nfs/dbraw/zinc/11/28/99/487112899.db2.gz ZLEWEULPIIWEBH-GRYCIOLGSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@H]1C[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C 684209145 487112904 /nfs/dbraw/zinc/11/29/04/487112904.db2.gz ZLEWEULPIIWEBH-GRYCIOLGSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@@H]1C[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C 684209148 487113224 /nfs/dbraw/zinc/11/32/24/487113224.db2.gz ZLEWEULPIIWEBH-UTUOFQBUSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C 684209147 487113255 /nfs/dbraw/zinc/11/32/55/487113255.db2.gz ZLEWEULPIIWEBH-TUAOUCFPSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@H]1C[C@@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C 684209147 487113259 /nfs/dbraw/zinc/11/32/59/487113259.db2.gz ZLEWEULPIIWEBH-TUAOUCFPSA-N 2 1 196.338 1.953 10 0 ADAEMP C[C@H]1C[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C 684209147 487113260 /nfs/dbraw/zinc/11/32/60/487113260.db2.gz ZLEWEULPIIWEBH-TUAOUCFPSA-N 2 1 196.338 1.953 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(C)C)C1 251339000 487117094 /nfs/dbraw/zinc/11/70/94/487117094.db2.gz PWFLYUHVMMHMDG-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(C)C)C1 251342563 487117174 /nfs/dbraw/zinc/11/71/74/487117174.db2.gz QLJYMWVQTHQIPR-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C)C1 251542382 487118075 /nfs/dbraw/zinc/11/80/75/487118075.db2.gz BNROVJJIDMISQM-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 251731883 487118932 /nfs/dbraw/zinc/11/89/32/487118932.db2.gz FQVWGRBDGPUIHK-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 251739375 487118961 /nfs/dbraw/zinc/11/89/61/487118961.db2.gz JGQRHCYGYRYBQW-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 251731777 487119091 /nfs/dbraw/zinc/11/90/91/487119091.db2.gz FQDJGWXKUQAZCK-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 251731880 487119161 /nfs/dbraw/zinc/11/91/61/487119161.db2.gz FQVWGRBDGPUIHK-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H]1C[N@@H+](CCCF)CC[C@H]1[NH3+] 251643964 487119197 /nfs/dbraw/zinc/11/91/97/487119197.db2.gz GDAGKMADKACVIC-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@H]1C[N@@H+](CCCF)CC[C@H]1[NH3+] 251643972 487119473 /nfs/dbraw/zinc/11/94/73/487119473.db2.gz GDAGKMADKACVIC-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1C[C@H]1CC[NH2+]C1 251739379 487119592 /nfs/dbraw/zinc/11/95/92/487119592.db2.gz JGQRHCYGYRYBQW-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C 251731775 487119773 /nfs/dbraw/zinc/11/97/73/487119773.db2.gz FQDJGWXKUQAZCK-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252688872 487125411 /nfs/dbraw/zinc/12/54/11/487125411.db2.gz PPMMGHGGKLPOGJ-TUAOUCFPSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252688873 487125491 /nfs/dbraw/zinc/12/54/91/487125491.db2.gz PPMMGHGGKLPOGJ-UTUOFQBUSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C 253176351 487131361 /nfs/dbraw/zinc/13/13/61/487131361.db2.gz GBJKOIFHEGQFDG-LPEHRKFASA-N 2 1 170.300 1.515 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C 253176350 487131581 /nfs/dbraw/zinc/13/15/81/487131581.db2.gz GBJKOIFHEGQFDG-GUBZILKMSA-N 2 1 170.300 1.515 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 253200180 487132581 /nfs/dbraw/zinc/13/25/81/487132581.db2.gz XBHKFSGAAJGMLI-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253200182 487132637 /nfs/dbraw/zinc/13/26/37/487132637.db2.gz XBHKFSGAAJGMLI-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C 300346197 487142920 /nfs/dbraw/zinc/14/29/20/487142920.db2.gz HPICUKBCGCLOFP-GARJFASQSA-N 2 1 184.327 1.905 10 0 ADAEMP CCC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C 300346196 487143116 /nfs/dbraw/zinc/14/31/16/487143116.db2.gz HPICUKBCGCLOFP-DCAQKATOSA-N 2 1 184.327 1.905 10 0 ADAEMP CCCC[N@@H+](C)CCc1cncn1C 685417000 487144013 /nfs/dbraw/zinc/14/40/13/487144013.db2.gz OURHMHFMXCZIEO-UHFFFAOYSA-N 2 1 195.310 1.695 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 306335089 487153603 /nfs/dbraw/zinc/15/36/03/487153603.db2.gz URYINDANGJZTTK-GARJFASQSA-N 2 1 184.327 1.619 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 306335090 487153764 /nfs/dbraw/zinc/15/37/64/487153764.db2.gz URYINDANGJZTTK-OUAUKWLOSA-N 2 1 184.327 1.619 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C 306335087 487153845 /nfs/dbraw/zinc/15/38/45/487153845.db2.gz URYINDANGJZTTK-DCAQKATOSA-N 2 1 184.327 1.619 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C 306335093 487153926 /nfs/dbraw/zinc/15/39/26/487153926.db2.gz URYINDANGJZTTK-VWYCJHECSA-N 2 1 184.327 1.619 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306368736 487154314 /nfs/dbraw/zinc/15/43/14/487154314.db2.gz LEMYUQKFLJDDLY-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306368735 487154397 /nfs/dbraw/zinc/15/43/97/487154397.db2.gz LEMYUQKFLJDDLY-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(C)(C)C)C[C@@]1(C)C[NH3+] 306368234 487154434 /nfs/dbraw/zinc/15/44/34/487154434.db2.gz JKJULVSKSAKCMP-ZYHUDNBSSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306368737 487154615 /nfs/dbraw/zinc/15/46/15/487154615.db2.gz LEMYUQKFLJDDLY-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306368738 487154626 /nfs/dbraw/zinc/15/46/26/487154626.db2.gz LEMYUQKFLJDDLY-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3CCC[C@H]32)CC1 306402248 487155120 /nfs/dbraw/zinc/15/51/20/487155120.db2.gz QLBHFARARWWQRQ-GDNZZTSVSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 307180328 487175388 /nfs/dbraw/zinc/17/53/88/487175388.db2.gz NXXDTNJWGVOTIK-FOGDFJRCSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306767621 487166297 /nfs/dbraw/zinc/16/62/97/487166297.db2.gz CSYNKDHGWYUOMI-SRVKXCTJSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306767620 487166453 /nfs/dbraw/zinc/16/64/53/487166453.db2.gz CSYNKDHGWYUOMI-SDDRHHMPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306767622 487166753 /nfs/dbraw/zinc/16/67/53/487166753.db2.gz CSYNKDHGWYUOMI-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306767618 487166840 /nfs/dbraw/zinc/16/68/40/487166840.db2.gz CSYNKDHGWYUOMI-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CCC1 306829541 487167356 /nfs/dbraw/zinc/16/73/56/487167356.db2.gz HVMBULCFLCVCLE-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC[C@H]1C 307092051 487173287 /nfs/dbraw/zinc/17/32/87/487173287.db2.gz RPASNHWLUMNRLK-NOOOWODRSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C 307092054 487173442 /nfs/dbraw/zinc/17/34/42/487173442.db2.gz RPASNHWLUMNRLK-WYUUTHIRSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C 307092052 487173628 /nfs/dbraw/zinc/17/36/28/487173628.db2.gz RPASNHWLUMNRLK-RHYQMDGZSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 307092053 487173773 /nfs/dbraw/zinc/17/37/73/487173773.db2.gz RPASNHWLUMNRLK-WISYIIOYSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C 307176385 487175132 /nfs/dbraw/zinc/17/51/32/487175132.db2.gz UMCGKXURZSUXEU-DCAQKATOSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H]1C[C@H]1C 307180331 487175162 /nfs/dbraw/zinc/17/51/62/487175162.db2.gz NXXDTNJWGVOTIK-SCVCMEIPSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CC1(C)C 307176387 487175183 /nfs/dbraw/zinc/17/51/83/487175183.db2.gz UMCGKXURZSUXEU-HBNTYKKESA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 307180327 487175439 /nfs/dbraw/zinc/17/54/39/487175439.db2.gz NXXDTNJWGVOTIK-CKYFFXLPSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CC1(C)C 307176386 487175526 /nfs/dbraw/zinc/17/55/26/487175526.db2.gz UMCGKXURZSUXEU-GARJFASQSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C 307176384 487175660 /nfs/dbraw/zinc/17/56/60/487175660.db2.gz UMCGKXURZSUXEU-AXFHLTTASA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@@H]1C[C@H]1C 307180329 487175671 /nfs/dbraw/zinc/17/56/71/487175671.db2.gz NXXDTNJWGVOTIK-JFGNBEQYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CCC2)C[C@@H]1[NH3+] 307381624 487180552 /nfs/dbraw/zinc/18/05/52/487180552.db2.gz ACZAXIUAZNUWGH-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CCC2)C[C@H]1[NH3+] 307381622 487180477 /nfs/dbraw/zinc/18/04/77/487180477.db2.gz ACZAXIUAZNUWGH-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CCC2)C[C@@H]1[NH3+] 307381628 487180526 /nfs/dbraw/zinc/18/05/26/487180526.db2.gz ACZAXIUAZNUWGH-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CCC1 307406962 487180750 /nfs/dbraw/zinc/18/07/50/487180750.db2.gz GKYWBFKMLVFPDY-GHMZBOCLSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CCC1 307406970 487181160 /nfs/dbraw/zinc/18/11/60/487181160.db2.gz GKYWBFKMLVFPDY-WDEREUQCSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CCC1 307406964 487181264 /nfs/dbraw/zinc/18/12/64/487181264.db2.gz GKYWBFKMLVFPDY-MNOVXSKESA-N 2 1 196.338 1.907 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H]1C 307605788 487186039 /nfs/dbraw/zinc/18/60/39/487186039.db2.gz ZHLURISIUPKODQ-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 307605789 487186162 /nfs/dbraw/zinc/18/61/62/487186162.db2.gz ZHLURISIUPKODQ-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H]1C 307605790 487186179 /nfs/dbraw/zinc/18/61/79/487186179.db2.gz ZHLURISIUPKODQ-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 307605791 487186395 /nfs/dbraw/zinc/18/63/95/487186395.db2.gz ZHLURISIUPKODQ-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccccc1 307640258 487186721 /nfs/dbraw/zinc/18/67/21/487186721.db2.gz GTUGLZABRYMCDQ-NXEZZACHSA-N 2 1 178.279 1.512 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccccc1 307640259 487186876 /nfs/dbraw/zinc/18/68/76/487186876.db2.gz GTUGLZABRYMCDQ-UWVGGRQHSA-N 2 1 178.279 1.512 10 0 ADAEMP C[C@H]([NH2+]Cc1ccccc1)[C@@H](C)[NH3+] 307640261 487186892 /nfs/dbraw/zinc/18/68/92/487186892.db2.gz GTUGLZABRYMCDQ-ZJUUUORDSA-N 2 1 178.279 1.512 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1ccccc1 307640260 487187159 /nfs/dbraw/zinc/18/71/59/487187159.db2.gz GTUGLZABRYMCDQ-VHSXEESVSA-N 2 1 178.279 1.512 10 0 ADAEMP C[N@@H+](CC1(C)CCC1)C1CC[NH2+]CC1 307731643 487190247 /nfs/dbraw/zinc/19/02/47/487190247.db2.gz KMMWHDAIJUJIIQ-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CC[NH2+][C@@H](C)CC(C)C 307920057 487191560 /nfs/dbraw/zinc/19/15/60/487191560.db2.gz IJGDCGYHTFKYLD-VIFPVBQESA-N 2 1 158.289 1.230 10 0 ADAEMP C[NH2+]CC[NH2+][C@H](C)CC(C)C 307920056 487191858 /nfs/dbraw/zinc/19/18/58/487191858.db2.gz IJGDCGYHTFKYLD-SECBINFHSA-N 2 1 158.289 1.230 10 0 ADAEMP CC[NH2+]CC[NH2+][C@@H](C)CC(C)C 308010107 487193546 /nfs/dbraw/zinc/19/35/46/487193546.db2.gz PAXGAGJEWAISRN-JTQLQIEISA-N 2 1 172.316 1.620 10 0 ADAEMP CC[NH2+]CC[NH2+][C@H](C)CC(C)C 308010117 487193595 /nfs/dbraw/zinc/19/35/95/487193595.db2.gz PAXGAGJEWAISRN-SNVBAGLBSA-N 2 1 172.316 1.620 10 0 ADAEMP Cc1ccsc1C[NH2+][C@H](C)[C@H](C)[NH3+] 308129006 487193819 /nfs/dbraw/zinc/19/38/19/487193819.db2.gz GXWNFTSKENBVAJ-DTWKUNHWSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccsc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 308129011 487193950 /nfs/dbraw/zinc/19/39/50/487193950.db2.gz GXWNFTSKENBVAJ-RKDXNWHRSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccsc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 308129002 487194252 /nfs/dbraw/zinc/19/42/52/487194252.db2.gz GXWNFTSKENBVAJ-BDAKNGLRSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccsc1C[NH2+][C@@H](C)[C@H](C)[NH3+] 308129009 487194318 /nfs/dbraw/zinc/19/43/18/487194318.db2.gz GXWNFTSKENBVAJ-IUCAKERBSA-N 2 1 198.335 1.882 10 0 ADAEMP CC(C)C[C@H](C)[NH2+]CC[NH2+]C1CC1 308188589 487195933 /nfs/dbraw/zinc/19/59/33/487195933.db2.gz LSSQOGDNXXTSLC-JTQLQIEISA-N 2 1 184.327 1.763 10 0 ADAEMP CC(C)C[C@@H](C)[NH2+]CC[NH2+]C1CC1 308188590 487196161 /nfs/dbraw/zinc/19/61/61/487196161.db2.gz LSSQOGDNXXTSLC-SNVBAGLBSA-N 2 1 184.327 1.763 10 0 ADAEMP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])s1 308212967 487196675 /nfs/dbraw/zinc/19/66/75/487196675.db2.gz XQJITHZDGBFLAR-BDAKNGLRSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])s1 308212968 487196818 /nfs/dbraw/zinc/19/68/18/487196818.db2.gz XQJITHZDGBFLAR-DTWKUNHWSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])s1 308212969 487196957 /nfs/dbraw/zinc/19/69/57/487196957.db2.gz XQJITHZDGBFLAR-IUCAKERBSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])s1 308212970 487197006 /nfs/dbraw/zinc/19/70/06/487197006.db2.gz XQJITHZDGBFLAR-RKDXNWHRSA-N 2 1 198.335 1.882 10 0 ADAEMP Cc1ccccc1C[NH2+][C@H](C)[C@H](C)[NH3+] 308653639 487205819 /nfs/dbraw/zinc/20/58/19/487205819.db2.gz MBWBPGVEVRTLIP-WDEREUQCSA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 308641254 487205844 /nfs/dbraw/zinc/20/58/44/487205844.db2.gz DDYPAQICTCYPFM-MNOVXSKESA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 308641256 487205938 /nfs/dbraw/zinc/20/59/38/487205938.db2.gz DDYPAQICTCYPFM-WDEREUQCSA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)[NH3+] 308653638 487206047 /nfs/dbraw/zinc/20/60/47/487206047.db2.gz MBWBPGVEVRTLIP-QWRGUYRKSA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)[NH3+] 308653635 487206315 /nfs/dbraw/zinc/20/63/15/487206315.db2.gz MBWBPGVEVRTLIP-GHMZBOCLSA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 308641253 487206366 /nfs/dbraw/zinc/20/63/66/487206366.db2.gz DDYPAQICTCYPFM-GHMZBOCLSA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] 308653636 487206421 /nfs/dbraw/zinc/20/64/21/487206421.db2.gz MBWBPGVEVRTLIP-MNOVXSKESA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 308641255 487206197 /nfs/dbraw/zinc/20/61/97/487206197.db2.gz DDYPAQICTCYPFM-QWRGUYRKSA-N 2 1 192.306 1.820 10 0 ADAEMP CC(C)(CC[N@@H+]1CC[C@H]([NH3+])C1)C1CC1 328426496 487227689 /nfs/dbraw/zinc/22/76/89/487227689.db2.gz LTKYQKQBANTQGK-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)(CC[N@H+]1CC[C@H]([NH3+])C1)C1CC1 328426496 487227692 /nfs/dbraw/zinc/22/76/92/487227692.db2.gz LTKYQKQBANTQGK-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([NH2+]Cc1cccs1)[C@@H](C)[NH3+] 379320987 487237383 /nfs/dbraw/zinc/23/73/83/487237383.db2.gz ZHGDKKWKENSUCA-SFYZADRCSA-N 2 1 184.308 1.573 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccs1 379320985 487237459 /nfs/dbraw/zinc/23/74/59/487237459.db2.gz ZHGDKKWKENSUCA-HTQZYQBOSA-N 2 1 184.308 1.573 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1cccs1 379320986 487237560 /nfs/dbraw/zinc/23/75/60/487237560.db2.gz ZHGDKKWKENSUCA-JGVFFNPUSA-N 2 1 184.308 1.573 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccs1 379320988 487237880 /nfs/dbraw/zinc/23/78/80/487237880.db2.gz ZHGDKKWKENSUCA-YUMQZZPRSA-N 2 1 184.308 1.573 10 0 ADAEMP C[C@H]([NH2+]CC[NH3+])C1CCCCCC1 379372247 487240704 /nfs/dbraw/zinc/24/07/04/487240704.db2.gz VEEPYWYSOMGWIR-JTQLQIEISA-N 2 1 184.327 1.894 10 0 ADAEMP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 379517907 487244316 /nfs/dbraw/zinc/24/43/16/487244316.db2.gz BFXRWARWCGFOSU-QWRGUYRKSA-N 2 1 192.306 1.820 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(F)c1 379522234 487244325 /nfs/dbraw/zinc/24/43/25/487244325.db2.gz DGDCTCZVLRLHBS-DTWKUNHWSA-N 2 1 196.269 1.651 10 0 ADAEMP Cc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 379517912 487244335 /nfs/dbraw/zinc/24/43/35/487244335.db2.gz BFXRWARWCGFOSU-WDEREUQCSA-N 2 1 192.306 1.820 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 379505496 487244413 /nfs/dbraw/zinc/24/44/13/487244413.db2.gz ONIKJKOGVHMGDV-QJPTWQEYSA-N 2 1 198.354 1.949 10 0 ADAEMP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 379517906 487244452 /nfs/dbraw/zinc/24/44/52/487244452.db2.gz BFXRWARWCGFOSU-MNOVXSKESA-N 2 1 192.306 1.820 10 0 ADAEMP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 379517898 487244471 /nfs/dbraw/zinc/24/44/71/487244471.db2.gz BFXRWARWCGFOSU-GHMZBOCLSA-N 2 1 192.306 1.820 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(F)c1 379522235 487244483 /nfs/dbraw/zinc/24/44/83/487244483.db2.gz DGDCTCZVLRLHBS-IUCAKERBSA-N 2 1 196.269 1.651 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(F)c1 379522236 487244503 /nfs/dbraw/zinc/24/45/03/487244503.db2.gz DGDCTCZVLRLHBS-RKDXNWHRSA-N 2 1 196.269 1.651 10 0 ADAEMP C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H](C)[NH3+] 379522231 487244531 /nfs/dbraw/zinc/24/45/31/487244531.db2.gz DGDCTCZVLRLHBS-BDAKNGLRSA-N 2 1 196.269 1.651 10 0 ADAEMP C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H](C)[NH3+] 379536658 487244543 /nfs/dbraw/zinc/24/45/43/487244543.db2.gz LXTGSKKRVSCRPP-BDAKNGLRSA-N 2 1 196.269 1.651 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(F)cc1 379536660 487244574 /nfs/dbraw/zinc/24/45/74/487244574.db2.gz LXTGSKKRVSCRPP-IUCAKERBSA-N 2 1 196.269 1.651 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(F)cc1 379536661 487244718 /nfs/dbraw/zinc/24/47/18/487244718.db2.gz LXTGSKKRVSCRPP-RKDXNWHRSA-N 2 1 196.269 1.651 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(F)cc1 379536659 487244766 /nfs/dbraw/zinc/24/47/66/487244766.db2.gz LXTGSKKRVSCRPP-DTWKUNHWSA-N 2 1 196.269 1.651 10 0 ADAEMP C[N@@H+](CCC[NH3+])C[C@H]1C[C@@H]2C[C@@H]2C1 382063034 487249196 /nfs/dbraw/zinc/24/91/96/487249196.db2.gz NWCCBGOOYHECMS-JGPRNRPPSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)C[NH2+]CCC[NH+]1CCC1 388409700 487259605 /nfs/dbraw/zinc/25/96/05/487259605.db2.gz WQRHBKOOVYLGGN-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP CC(C)CCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 388753716 487261205 /nfs/dbraw/zinc/26/12/05/487261205.db2.gz CHEBQDZHVWUDPM-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C 388753726 487261250 /nfs/dbraw/zinc/26/12/50/487261250.db2.gz CHEBQDZHVWUDPM-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CCC[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 388753729 487261431 /nfs/dbraw/zinc/26/14/31/487261431.db2.gz CHEBQDZHVWUDPM-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)CCC[N@H+]1CC[C@H]([NH3+])[C@H]1C 388753721 487261583 /nfs/dbraw/zinc/26/15/83/487261583.db2.gz CHEBQDZHVWUDPM-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 389719954 487264356 /nfs/dbraw/zinc/26/43/56/487264356.db2.gz DZCLNTYUBQYJFT-GARJFASQSA-N 2 1 184.327 1.763 10 0 ADAEMP CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 389719955 487264363 /nfs/dbraw/zinc/26/43/63/487264363.db2.gz DZCLNTYUBQYJFT-OUAUKWLOSA-N 2 1 184.327 1.763 10 0 ADAEMP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C 389719952 487264388 /nfs/dbraw/zinc/26/43/88/487264388.db2.gz DZCLNTYUBQYJFT-DCAQKATOSA-N 2 1 184.327 1.763 10 0 ADAEMP CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C 389719956 487264520 /nfs/dbraw/zinc/26/45/20/487264520.db2.gz DZCLNTYUBQYJFT-VWYCJHECSA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396724769 487274781 /nfs/dbraw/zinc/27/47/81/487274781.db2.gz YCAZSLAILQSISZ-CKYFFXLPSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C)CC1CC1 396724771 487274822 /nfs/dbraw/zinc/27/48/22/487274822.db2.gz YCAZSLAILQSISZ-JFGNBEQYSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C)CC1CC1 396724772 487274849 /nfs/dbraw/zinc/27/48/49/487274849.db2.gz YCAZSLAILQSISZ-SCVCMEIPSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 396621531 487275016 /nfs/dbraw/zinc/27/50/16/487275016.db2.gz IZQFVIGOPKMUAL-AXFHLTTASA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@H](CC1CC1)[NH2+][C@H]1CCC[NH2+][C@@H]1C 396724770 487275252 /nfs/dbraw/zinc/27/52/52/487275252.db2.gz YCAZSLAILQSISZ-FOGDFJRCSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H](C)C[NH2+][C@H]1CCC[NH2+][C@H]1C 396621535 487275274 /nfs/dbraw/zinc/27/52/74/487275274.db2.gz IZQFVIGOPKMUAL-DCAQKATOSA-N 2 1 184.327 1.763 10 0 ADAEMP CC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396621537 487275290 /nfs/dbraw/zinc/27/52/90/487275290.db2.gz IZQFVIGOPKMUAL-GARJFASQSA-N 2 1 184.327 1.763 10 0 ADAEMP CC[C@@H]([NH2+]CC[NH3+])[C@@H]1CC1(C)C 397655484 487277786 /nfs/dbraw/zinc/27/77/86/487277786.db2.gz DHIJRTRHOMMUTF-DTWKUNHWSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@H]([NH2+]CC[NH3+])[C@H]1CC1(C)C 397655482 487277952 /nfs/dbraw/zinc/27/79/52/487277952.db2.gz DHIJRTRHOMMUTF-BDAKNGLRSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@@H]([NH2+]CC[NH3+])[C@H]1CC1(C)C 397655490 487278003 /nfs/dbraw/zinc/27/80/03/487278003.db2.gz DHIJRTRHOMMUTF-RKDXNWHRSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[C@H]([NH2+]CC[NH3+])[C@@H]1CC1(C)C 397655488 487278036 /nfs/dbraw/zinc/27/80/36/487278036.db2.gz DHIJRTRHOMMUTF-IUCAKERBSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H](C)CCC1CC1 398116433 487283023 /nfs/dbraw/zinc/28/30/23/487283023.db2.gz ZGEBBPSCOPFBRR-ZJUUUORDSA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H](C)CCC1CC1 398116427 487283388 /nfs/dbraw/zinc/28/33/88/487283388.db2.gz ZGEBBPSCOPFBRR-NXEZZACHSA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H](C)CCC1CC1 398116430 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FLVKOWKLCWLIID-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]1C[C@H](C)C[N@H+]1CCC[NH3+] 399250829 487287298 /nfs/dbraw/zinc/28/72/98/487287298.db2.gz FLVKOWKLCWLIID-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403362867 487290827 /nfs/dbraw/zinc/29/08/27/487290827.db2.gz HUZCPLFNOACFTC-WRWGMCAJSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403362867 487290834 /nfs/dbraw/zinc/29/08/34/487290834.db2.gz HUZCPLFNOACFTC-WRWGMCAJSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403362863 487290847 /nfs/dbraw/zinc/29/08/47/487290847.db2.gz HUZCPLFNOACFTC-WISYIIOYSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403362863 487290850 /nfs/dbraw/zinc/29/08/50/487290850.db2.gz HUZCPLFNOACFTC-WISYIIOYSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403607319 487291255 /nfs/dbraw/zinc/29/12/55/487291255.db2.gz HUZCPLFNOACFTC-WYUUTHIRSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403607319 487291261 /nfs/dbraw/zinc/29/12/61/487291261.db2.gz HUZCPLFNOACFTC-WYUUTHIRSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403607315 487291302 /nfs/dbraw/zinc/29/13/02/487291302.db2.gz HUZCPLFNOACFTC-KXNHARMFSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 403607315 487291305 /nfs/dbraw/zinc/29/13/05/487291305.db2.gz HUZCPLFNOACFTC-KXNHARMFSA-N 2 1 194.322 1.456 10 0 ADAEMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 403735027 487291668 /nfs/dbraw/zinc/29/16/68/487291668.db2.gz LDNPPLPUYSOHBU-UTUOFQBUSA-N 2 1 196.338 1.703 10 0 ADAEMP C[N@@H+](CCC[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 403735023 487291680 /nfs/dbraw/zinc/29/16/80/487291680.db2.gz LDNPPLPUYSOHBU-GRYCIOLGSA-N 2 1 196.338 1.703 10 0 ADAEMP CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 606272464 487305678 /nfs/dbraw/zinc/30/56/78/487305678.db2.gz XAKXWXODHDLIDX-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 606272463 487305712 /nfs/dbraw/zinc/30/57/12/487305712.db2.gz XAKXWXODHDLIDX-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC2CC1(C[NH3+])C2 642828678 487309528 /nfs/dbraw/zinc/30/95/28/487309528.db2.gz JQRANXPULZRRBH-WHXUTIOJSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC2CC1(C[NH3+])C2 642828671 487309699 /nfs/dbraw/zinc/30/96/99/487309699.db2.gz JQRANXPULZRRBH-KPPDAEKUSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)=CCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 642844142 487309792 /nfs/dbraw/zinc/30/97/92/487309792.db2.gz HSCDYYPYUKDOSD-QWRGUYRKSA-N 2 1 182.311 1.764 10 0 ADAEMP [NH3+]CC12CC(C[N@H+]1CC1CCC1)C2 642841844 487309920 /nfs/dbraw/zinc/30/99/20/487309920.db2.gz PWYBQBYQOWXAQT-UHFFFAOYSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC1 655754354 487311637 /nfs/dbraw/zinc/31/16/37/487311637.db2.gz VWJOBZWXBPXQEV-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(C[NH2+]CCC[NH+]2CCC2)CC1 655753947 487311649 /nfs/dbraw/zinc/31/16/49/487311649.db2.gz HAPAZSUMEUQPIT-UHFFFAOYSA-N 2 1 182.311 1.472 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 655754303 487311669 /nfs/dbraw/zinc/31/16/69/487311669.db2.gz SGSVUIZICRFSMQ-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCC1 655754352 487311720 /nfs/dbraw/zinc/31/17/20/487311720.db2.gz VWJOBZWXBPXQEV-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(C[NH2+]CCC[NH+]2CCC2)CCC1 655753944 487311726 /nfs/dbraw/zinc/31/17/26/487311726.db2.gz GLWPFERIRQMSOC-UHFFFAOYSA-N 2 1 196.338 1.862 10 0 ADAEMP CC[C@@H](C)C[NH2+]CCC[NH+]1CCC1 655754074 487311739 /nfs/dbraw/zinc/31/17/39/487311739.db2.gz ILASVSWKWHUFLG-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC1 655754351 487311744 /nfs/dbraw/zinc/31/17/44/487311744.db2.gz VWJOBZWXBPXQEV-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 655754305 487311764 /nfs/dbraw/zinc/31/17/64/487311764.db2.gz SGSVUIZICRFSMQ-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H](C)C[NH2+]CCC[NH+]1CCC1 655754075 487311777 /nfs/dbraw/zinc/31/17/77/487311777.db2.gz ILASVSWKWHUFLG-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C1 655754302 487311791 /nfs/dbraw/zinc/31/17/91/487311791.db2.gz SGSVUIZICRFSMQ-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C1 655754304 487311804 /nfs/dbraw/zinc/31/18/04/487311804.db2.gz SGSVUIZICRFSMQ-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCC1 655754353 487311826 /nfs/dbraw/zinc/31/18/26/487311826.db2.gz VWJOBZWXBPXQEV-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP c1cc(C[NH2+]CCC[NH+]2CCC2)c[nH]1 655754509 487311835 /nfs/dbraw/zinc/31/18/35/487311835.db2.gz ZOFABPRTPJYXQV-UHFFFAOYSA-N 2 1 193.294 1.200 10 0 ADAEMP FC1(C[NH2+]CCC[NH+]2CCC2)CC1 655754308 487311850 /nfs/dbraw/zinc/31/18/50/487311850.db2.gz SLLVPWVQFFMWOD-UHFFFAOYSA-N 2 1 186.274 1.174 10 0 ADAEMP C[N@@H+](CCC[NH3+])C1(C)CCCC1 666708135 487333035 /nfs/dbraw/zinc/33/30/35/487333035.db2.gz HYBAVVBIOADWLT-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CC1(C)CC1 666718916 487333174 /nfs/dbraw/zinc/33/31/74/487333174.db2.gz ZQWRUPBQBTWPEO-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC1(C)CC1 666718915 487333191 /nfs/dbraw/zinc/33/31/91/487333191.db2.gz ZQWRUPBQBTWPEO-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1(C)CC1 666718917 487333427 /nfs/dbraw/zinc/33/34/27/487333427.db2.gz ZQWRUPBQBTWPEO-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1(C)CC1 666718918 487333480 /nfs/dbraw/zinc/33/34/80/487333480.db2.gz ZQWRUPBQBTWPEO-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[C@H](C)C[NH2+][C@@H](C[NH3+])C1CC1 666746335 487334015 /nfs/dbraw/zinc/33/40/15/487334015.db2.gz QSUPRKFMBSOXEG-ONGXEEELSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[C@@H](C)C[NH2+][C@@H](C[NH3+])C1CC1 666746333 487334140 /nfs/dbraw/zinc/33/41/40/487334140.db2.gz QSUPRKFMBSOXEG-KOLCDFICSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[C@H](C)C[NH2+][C@H](C[NH3+])C1CC1 666746332 487334546 /nfs/dbraw/zinc/33/45/46/487334546.db2.gz QSUPRKFMBSOXEG-GXSJLCMTSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC[C@@H](C)C[NH2+][C@H](C[NH3+])C1CC1 666746334 487334614 /nfs/dbraw/zinc/33/46/14/487334614.db2.gz QSUPRKFMBSOXEG-MWLCHTKSSA-N 2 1 184.327 1.750 10 0 ADAEMP CCC([NH3+])(CC)C[NH2+]CC1(F)CC1 666754577 487335149 /nfs/dbraw/zinc/33/51/49/487335149.db2.gz RSCPYXZRWCUEHO-UHFFFAOYSA-N 2 1 188.290 1.596 10 0 ADAEMP C[NH2+]CC[NH2+][C@H](C)CCC(F)(F)F 666778809 487336688 /nfs/dbraw/zinc/33/66/88/487336688.db2.gz DJQXGPMAALACTI-SSDOTTSWSA-N 2 1 198.232 1.526 10 0 ADAEMP C[NH2+]CC[NH2+][C@@H](C)CCC(F)(F)F 666778810 487337071 /nfs/dbraw/zinc/33/70/71/487337071.db2.gz DJQXGPMAALACTI-ZETCQYMHSA-N 2 1 198.232 1.526 10 0 ADAEMP 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/nfs/dbraw/zinc/34/00/05/487340005.db2.gz FUWZXYZCBMLOGO-QWRGUYRKSA-N 2 1 184.327 1.764 10 0 ADAEMP CCC[C@@H](C)C[NH2+][C@H]1CCC[NH2+]C1 666814084 487340027 /nfs/dbraw/zinc/34/00/27/487340027.db2.gz FUWZXYZCBMLOGO-MNOVXSKESA-N 2 1 184.327 1.764 10 0 ADAEMP C[C@H](CC1CC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 666860552 487342069 /nfs/dbraw/zinc/34/20/69/487342069.db2.gz CNBGPEVPJOTKHR-CKYFFXLPSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H]1C 666860561 487342216 /nfs/dbraw/zinc/34/22/16/487342216.db2.gz IFGLPVPUJVSDLN-RHYQMDGZSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H](C)CC1CC1 666860555 487342327 /nfs/dbraw/zinc/34/23/27/487342327.db2.gz CNBGPEVPJOTKHR-UMNHJUIQSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H](C)CC1CC1 666860554 487342337 /nfs/dbraw/zinc/34/23/37/487342337.db2.gz CNBGPEVPJOTKHR-HOSYDEDBSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@H]1C 666860560 487342343 /nfs/dbraw/zinc/34/23/43/487342343.db2.gz IFGLPVPUJVSDLN-NOOOWODRSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H](CC1CC1)[NH2+][C@H]1C[NH2+]CC[C@H]1C 666860553 487342437 /nfs/dbraw/zinc/34/24/37/487342437.db2.gz CNBGPEVPJOTKHR-FOGDFJRCSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 666860579 487342958 /nfs/dbraw/zinc/34/29/58/487342958.db2.gz LBOOJXIIBLVVQL-GARJFASQSA-N 2 1 184.327 1.620 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C 666860563 487343022 /nfs/dbraw/zinc/34/30/22/487343022.db2.gz IFGLPVPUJVSDLN-WYUUTHIRSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCC1 666861409 487343200 /nfs/dbraw/zinc/34/32/00/487343200.db2.gz GOBVZNQUEIHURX-FOGDFJRCSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C 666860562 487343214 /nfs/dbraw/zinc/34/32/14/487343214.db2.gz IFGLPVPUJVSDLN-WISYIIOYSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 666860580 487343235 /nfs/dbraw/zinc/34/32/35/487343235.db2.gz LBOOJXIIBLVVQL-HBNTYKKESA-N 2 1 184.327 1.620 10 0 ADAEMP CC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 666860577 487343293 /nfs/dbraw/zinc/34/32/93/487343293.db2.gz LBOOJXIIBLVVQL-AXFHLTTASA-N 2 1 184.327 1.620 10 0 ADAEMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCC1 666861410 487343321 /nfs/dbraw/zinc/34/33/21/487343321.db2.gz GOBVZNQUEIHURX-JFGNBEQYSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 666860578 487343371 /nfs/dbraw/zinc/34/33/71/487343371.db2.gz LBOOJXIIBLVVQL-DCAQKATOSA-N 2 1 184.327 1.620 10 0 ADAEMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CCC1 666861411 487343382 /nfs/dbraw/zinc/34/33/82/487343382.db2.gz GOBVZNQUEIHURX-SCVCMEIPSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CCC1 666861408 487343609 /nfs/dbraw/zinc/34/36/09/487343609.db2.gz GOBVZNQUEIHURX-CKYFFXLPSA-N 2 1 196.338 1.763 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C 666897130 487347216 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/nfs/dbraw/zinc/35/20/25/487352025.db2.gz JSRVWCTXPIOISZ-WHOHXGKFSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 666985211 487352049 /nfs/dbraw/zinc/35/20/49/487352049.db2.gz JSRVWCTXPIOISZ-IRCOFANPSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@@]1(C)C[NH3+] 666985261 487352147 /nfs/dbraw/zinc/35/21/47/487352147.db2.gz VYKJGSSOFFZHBM-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 666983137 487352364 /nfs/dbraw/zinc/35/23/64/487352364.db2.gz BIYMMBBMFGXUKS-QEYWKRMJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@@]1(C)C[NH3+] 666985213 487352426 /nfs/dbraw/zinc/35/24/26/487352426.db2.gz JSRVWCTXPIOISZ-WISYIIOYSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 666983138 487352470 /nfs/dbraw/zinc/35/24/70/487352470.db2.gz BIYMMBBMFGXUKS-XKNYDFJKSA-N 2 1 168.284 1.064 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 666983185 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HUJIFKCAJLGKMU-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@]12CC[NH2+]C2 757128088 582458688 /nfs/dbraw/zinc/45/86/88/582458688.db2.gz ISEFXMGXWNXYLB-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12CC[NH2+]C2 757133492 582459062 /nfs/dbraw/zinc/45/90/62/582459062.db2.gz IVBNGOPMHHSFDT-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12CC[NH2+]C2 757133492 582459064 /nfs/dbraw/zinc/45/90/64/582459064.db2.gz IVBNGOPMHHSFDT-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+]C[C@]2(C1)CCC[N@H+]2C1CC1 757135118 582459252 /nfs/dbraw/zinc/45/92/52/582459252.db2.gz ZEFKOLDKNYYELJ-NSHDSACASA-N 2 1 180.295 1.367 10 0 ADAEMP C1C[NH2+]C[C@]2(C1)CCC[N@@H+]2C1CC1 757135118 582459254 /nfs/dbraw/zinc/45/92/54/582459254.db2.gz ZEFKOLDKNYYELJ-NSHDSACASA-N 2 1 180.295 1.367 10 0 ADAEMP CC[N@H+]1CCC[C@@]12C[NH2+]C[C@H](C)C2 757135056 582459304 /nfs/dbraw/zinc/45/93/04/582459304.db2.gz YDBJSJDJOQLONJ-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP FCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 757132507 582459321 /nfs/dbraw/zinc/45/93/21/582459321.db2.gz BHWUEUOUUMMPII-JTQLQIEISA-N 2 1 186.274 1.174 10 0 ADAEMP FCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 757132507 582459323 /nfs/dbraw/zinc/45/93/23/582459323.db2.gz BHWUEUOUUMMPII-JTQLQIEISA-N 2 1 186.274 1.174 10 0 ADAEMP CC[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 757135059 582459331 /nfs/dbraw/zinc/45/93/31/582459331.db2.gz YDBJSJDJOQLONJ-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[NH2+]C[C@@]2(C1)CCC[N@H+]2C1CC1 757135116 582459377 /nfs/dbraw/zinc/45/93/77/582459377.db2.gz ZEFKOLDKNYYELJ-LLVKDONJSA-N 2 1 180.295 1.367 10 0 ADAEMP CC[N@H+]1CCC[C@]12C[NH2+]C[C@@H](C)C2 757135062 582459436 /nfs/dbraw/zinc/45/94/36/582459436.db2.gz YDBJSJDJOQLONJ-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[NH2+]C[C@@]2(C1)CCC[N@@H+]2C1CC1 757135116 582459378 /nfs/dbraw/zinc/45/93/78/582459378.db2.gz ZEFKOLDKNYYELJ-LLVKDONJSA-N 2 1 180.295 1.367 10 0 ADAEMP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@@]12CC[NH2+]C2 757133491 582459403 /nfs/dbraw/zinc/45/94/03/582459403.db2.gz IVBNGOPMHHSFDT-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@H]1[N@H+]1CCC[C@@]12CC[NH2+]C2 757133491 582459404 /nfs/dbraw/zinc/45/94/04/582459404.db2.gz IVBNGOPMHHSFDT-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12CC[NH2+]C2 757133490 582459456 /nfs/dbraw/zinc/45/94/56/582459456.db2.gz IVBNGOPMHHSFDT-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@H]1[N@H+]1CCC[C@]12CC[NH2+]C2 757133490 582459458 /nfs/dbraw/zinc/45/94/58/582459458.db2.gz IVBNGOPMHHSFDT-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 757135066 582459461 /nfs/dbraw/zinc/45/94/61/582459461.db2.gz YDBJSJDJOQLONJ-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP FCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 757132519 582459484 /nfs/dbraw/zinc/45/94/84/582459484.db2.gz BHWUEUOUUMMPII-SNVBAGLBSA-N 2 1 186.274 1.174 10 0 ADAEMP FCCC[N@H+]1CCC[C@]12CC[NH2+]C2 757132519 582459487 /nfs/dbraw/zinc/45/94/87/582459487.db2.gz BHWUEUOUUMMPII-SNVBAGLBSA-N 2 1 186.274 1.174 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@]12CC[NH2+]C2 757133504 582459496 /nfs/dbraw/zinc/45/94/96/582459496.db2.gz IVBNGOPMHHSFDT-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@@]12CC[NH2+]C2 757133504 582459498 /nfs/dbraw/zinc/45/94/98/582459498.db2.gz IVBNGOPMHHSFDT-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP CCC[C@H]1CC[NH2+]C2(CC[NH2+]CC2)O1 757140568 582462244 /nfs/dbraw/zinc/46/22/44/582462244.db2.gz BOMXWNWTIUUEBT-JTQLQIEISA-N 2 1 198.310 1.245 10 0 ADAEMP CCC[C@@H]1CCOC2(CC[NH2+]CC2)[NH2+]1 757140864 582462277 /nfs/dbraw/zinc/46/22/77/582462277.db2.gz JIPYWFIYNZYPIN-SNVBAGLBSA-N 2 1 198.310 1.245 10 0 ADAEMP CCC[C@H]1CCOC2(CC[NH2+]CC2)[NH2+]1 757140857 582462319 /nfs/dbraw/zinc/46/23/19/582462319.db2.gz JIPYWFIYNZYPIN-JTQLQIEISA-N 2 1 198.310 1.245 10 0 ADAEMP CCC[C@@H]1CC[NH2+]C2(CC[NH2+]CC2)O1 757140602 582462465 /nfs/dbraw/zinc/46/24/65/582462465.db2.gz BOMXWNWTIUUEBT-SNVBAGLBSA-N 2 1 198.310 1.245 10 0 ADAEMP c1c[nH+]c([C@H]2C[C@@H]3CC[NH2+]C[C@H]23)[nH]1 757143436 582462903 /nfs/dbraw/zinc/46/29/03/582462903.db2.gz XJLFEYZTYQPFCN-CIUDSAMLSA-N 2 1 177.251 1.123 10 0 ADAEMP C[C@H]1CC[NH2+][C@]2(CCC[N@@H+](C)CC2)O1 757143225 582463028 /nfs/dbraw/zinc/46/30/28/582463028.db2.gz MIFRSRATXSQUFV-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1CC[NH2+][C@]2(CCC[N@@H+](C)CC2)O1 757143202 582463067 /nfs/dbraw/zinc/46/30/67/582463067.db2.gz MIFRSRATXSQUFV-GHMZBOCLSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@]2(CCC[N@@H+](C)CC2)O1 757143203 582463109 /nfs/dbraw/zinc/46/31/09/582463109.db2.gz MIFRSRATXSQUFV-MNOVXSKESA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@H]1CC[NH2+][C@@]2(CCC[N@@H+](C)CC2)O1 757143212 582463161 /nfs/dbraw/zinc/46/31/61/582463161.db2.gz MIFRSRATXSQUFV-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[C@H]1OC2(CC[NH2+]CC2)[NH2+]CC1(C)C 757143871 582463593 /nfs/dbraw/zinc/46/35/93/582463593.db2.gz FUZHPTVXGGHDDN-SECBINFHSA-N 2 1 198.310 1.101 10 0 ADAEMP C[C@@H]1OC2(CC[NH2+]CC2)[NH2+]CC1(C)C 757143882 582463802 /nfs/dbraw/zinc/46/38/02/582463802.db2.gz FUZHPTVXGGHDDN-VIFPVBQESA-N 2 1 198.310 1.101 10 0 ADAEMP C[C@H]1CC(C)(C)OC2(CC[NH2+]CC2)[NH2+]1 757144731 582464552 /nfs/dbraw/zinc/46/45/52/582464552.db2.gz HFTAEYFOJODQOE-VIFPVBQESA-N 2 1 198.310 1.243 10 0 ADAEMP C[C@@H]1CC(C)(C)OC2(CC[NH2+]CC2)[NH2+]1 757144712 582464615 /nfs/dbraw/zinc/46/46/15/582464615.db2.gz HFTAEYFOJODQOE-SECBINFHSA-N 2 1 198.310 1.243 10 0 ADAEMP [NH3+]C[C@@H]1CCN1c1cc[nH+]cc1Cl 757146471 582465248 /nfs/dbraw/zinc/46/52/48/582465248.db2.gz NRZOAQBWDBZPQH-ZETCQYMHSA-N 2 1 197.669 1.272 10 0 ADAEMP [NH3+]C[C@H]1CCN1c1cc[nH+]cc1Cl 757146465 582465593 /nfs/dbraw/zinc/46/55/93/582465593.db2.gz NRZOAQBWDBZPQH-SSDOTTSWSA-N 2 1 197.669 1.272 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@H]1C[NH3+] 757160222 582468252 /nfs/dbraw/zinc/46/82/52/582468252.db2.gz RJDCDZAIXKJHIO-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@H]1C[NH3+] 757160222 582468254 /nfs/dbraw/zinc/46/82/54/582468254.db2.gz RJDCDZAIXKJHIO-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@@H]1C[NH3+] 757160219 582468284 /nfs/dbraw/zinc/46/82/84/582468284.db2.gz RJDCDZAIXKJHIO-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@H]1C[NH3+] 757160219 582468286 /nfs/dbraw/zinc/46/82/86/582468286.db2.gz RJDCDZAIXKJHIO-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@H]1C[NH3+] 757160226 582468411 /nfs/dbraw/zinc/46/84/11/582468411.db2.gz RJDCDZAIXKJHIO-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@H]1C[NH3+] 757160226 582468413 /nfs/dbraw/zinc/46/84/13/582468413.db2.gz RJDCDZAIXKJHIO-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@@H]1C[NH3+] 757160225 582468615 /nfs/dbraw/zinc/46/86/15/582468615.db2.gz RJDCDZAIXKJHIO-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@H]1C[NH3+] 757160225 582468616 /nfs/dbraw/zinc/46/86/16/582468616.db2.gz RJDCDZAIXKJHIO-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H](c2ccccc2)C[NH2+]1 142442243 582472759 /nfs/dbraw/zinc/47/27/59/582472759.db2.gz QRULBOXYSKWCKA-NEPJUHHUSA-N 2 1 190.290 1.481 10 0 ADAEMP [NH3+]C[C@H]1CC[C@H](c2ccccc2)C[NH2+]1 142442033 582472775 /nfs/dbraw/zinc/47/27/75/582472775.db2.gz QRULBOXYSKWCKA-NWDGAFQWSA-N 2 1 190.290 1.481 10 0 ADAEMP CC(C)C[C@@H]1CC[C@@H](C[NH3+])[NH2+]C1 757217851 582473092 /nfs/dbraw/zinc/47/30/92/582473092.db2.gz SSOXZLWMNNBHQB-UWVGGRQHSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCC[C@H]1CC[NH2+][C@H](C[NH3+])C1 757218542 582472895 /nfs/dbraw/zinc/47/28/95/582472895.db2.gz VUQSLPMLHMAAHZ-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)C[C@H]1CC[C@@H](C[NH3+])[NH2+]C1 757217853 582472930 /nfs/dbraw/zinc/47/29/30/582472930.db2.gz SSOXZLWMNNBHQB-ZJUUUORDSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCC[C@H]1CC[NH2+][C@@H](C[NH3+])C1 757218543 582473016 /nfs/dbraw/zinc/47/30/16/582473016.db2.gz VUQSLPMLHMAAHZ-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CCCC[C@@H]1CC[NH2+][C@@H](C[NH3+])C1 757218541 582473049 /nfs/dbraw/zinc/47/30/49/582473049.db2.gz VUQSLPMLHMAAHZ-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)C[C@H]1CC[C@H](C[NH3+])[NH2+]C1 757217850 582473063 /nfs/dbraw/zinc/47/30/63/582473063.db2.gz SSOXZLWMNNBHQB-NXEZZACHSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)C[C@@H]1CC[C@H](C[NH3+])[NH2+]C1 757217852 582473071 /nfs/dbraw/zinc/47/30/71/582473071.db2.gz SSOXZLWMNNBHQB-VHSXEESVSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCC[C@@H]1CC[NH2+][C@H](C[NH3+])C1 757218544 582473076 /nfs/dbraw/zinc/47/30/76/582473076.db2.gz VUQSLPMLHMAAHZ-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP C[N@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@@H]2C1 196753949 582477262 /nfs/dbraw/zinc/47/72/62/582477262.db2.gz ZLNQAUZIIMMMAO-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1 211356027 582481640 /nfs/dbraw/zinc/48/16/40/582481640.db2.gz TWHVVWYNHUUNAT-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@@H+](C)CCCCCC[NH3+] 20073219 582503956 /nfs/dbraw/zinc/50/39/56/582503956.db2.gz DFZMERPDCHOJSX-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CC(C)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 219033536 582506884 /nfs/dbraw/zinc/50/68/84/582506884.db2.gz MHBCJWMKHMNVEI-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 219033536 582506888 /nfs/dbraw/zinc/50/68/88/582506888.db2.gz MHBCJWMKHMNVEI-MNOVXSKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 219033605 582506992 /nfs/dbraw/zinc/50/69/92/582506992.db2.gz MHBCJWMKHMNVEI-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 219033605 582506994 /nfs/dbraw/zinc/50/69/94/582506994.db2.gz MHBCJWMKHMNVEI-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC(C)(C)C1=C[C@@H]([NH3+])C[NH2+]C1 675078544 582507678 /nfs/dbraw/zinc/50/76/78/582507678.db2.gz QNOGIJURAKFFQX-SECBINFHSA-N 2 1 168.284 1.280 10 0 ADAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CCC1 307170677 582514367 /nfs/dbraw/zinc/51/43/67/582514367.db2.gz NXHGDGFBIKANQL-UMNHJUIQSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CCC1 307170671 582514487 /nfs/dbraw/zinc/51/44/87/582514487.db2.gz NXHGDGFBIKANQL-JBLDHEPKSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCCC[NH2+]C1 211415464 582514597 /nfs/dbraw/zinc/51/45/97/582514597.db2.gz ZWSYLLLPFDLGIU-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CCC1 307170674 582514619 /nfs/dbraw/zinc/51/46/19/582514619.db2.gz NXHGDGFBIKANQL-NHCYSSNCSA-N 2 1 196.338 1.905 10 0 ADAEMP CC1(C[N@@H+]2C[C@H]3[C@H]([NH3+])CC[C@H]3C2)CC1 306527451 582520092 /nfs/dbraw/zinc/52/00/92/582520092.db2.gz XMONZGCYIQUSKI-HBNTYKKESA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+]C[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]21 307312972 582520629 /nfs/dbraw/zinc/52/06/29/582520629.db2.gz GMXHESDGHKHVQM-AEJSXWLSSA-N 2 1 168.284 1.113 10 0 ADAEMP [NH3+]C[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 307312974 582520697 /nfs/dbraw/zinc/52/06/97/582520697.db2.gz GMXHESDGHKHVQM-BBBLOLIVSA-N 2 1 168.284 1.113 10 0 ADAEMP [NH3+]C[C@H]1CC[C@@H](c2ccccc2)C[NH2+]1 142442420 582524537 /nfs/dbraw/zinc/52/45/37/582524537.db2.gz QRULBOXYSKWCKA-VXGBXAGGSA-N 2 1 190.290 1.481 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H](c2ccccc2)C[NH2+]1 142441800 582524559 /nfs/dbraw/zinc/52/45/59/582524559.db2.gz QRULBOXYSKWCKA-RYUDHWBXSA-N 2 1 190.290 1.481 10 0 ADAEMP C[C@H]1CC[C@@]2(CC[N@@H+](CCC[NH3+])C2)C1 335254887 582524809 /nfs/dbraw/zinc/52/48/09/582524809.db2.gz CXXVSIYHCOKFMC-NWDGAFQWSA-N 2 1 196.338 1.847 10 0 ADAEMP CC(C)[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 203723104 582524824 /nfs/dbraw/zinc/52/48/24/582524824.db2.gz ZFXYNEBVBKIWMM-AEJSXWLSSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1CC[C@@]2(CC[N@@H+](CCC[NH3+])C2)C1 335254889 582524989 /nfs/dbraw/zinc/52/49/89/582524989.db2.gz CXXVSIYHCOKFMC-VXGBXAGGSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@@H]1CC[C@]2(CC[N@@H+](CCC[NH3+])C2)C1 335254886 582525066 /nfs/dbraw/zinc/52/50/66/582525066.db2.gz CXXVSIYHCOKFMC-NEPJUHHUSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@H]1CC[C@]2(CC[N@@H+](CCC[NH3+])C2)C1 335254888 582525201 /nfs/dbraw/zinc/52/52/01/582525201.db2.gz CXXVSIYHCOKFMC-RYUDHWBXSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@@H](CC[NH2+]CC1(F)CC1)[NH+](C)C 895291711 582525639 /nfs/dbraw/zinc/52/56/39/582525639.db2.gz BQDHOIFMEJYZRH-VIFPVBQESA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@H](CC[NH2+]CC1(F)CC1)[NH+](C)C 895291710 582526204 /nfs/dbraw/zinc/52/62/04/582526204.db2.gz BQDHOIFMEJYZRH-SECBINFHSA-N 2 1 188.290 1.418 10 0 ADAEMP CCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C 148741951 582549076 /nfs/dbraw/zinc/54/90/76/582549076.db2.gz OGIQZLBPKRNYDK-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP c1nc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c[nH]1 897958033 582550211 /nfs/dbraw/zinc/55/02/11/582550211.db2.gz GKGXZFBJYYUHIB-FBIMIBRVSA-N 2 1 191.278 1.688 10 0 ADAEMP c1nc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]32)c[nH]1 897958034 582550226 /nfs/dbraw/zinc/55/02/26/582550226.db2.gz GKGXZFBJYYUHIB-INTQDDNPSA-N 2 1 191.278 1.688 10 0 ADAEMP c1nc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c[nH]1 897958031 582550268 /nfs/dbraw/zinc/55/02/68/582550268.db2.gz GKGXZFBJYYUHIB-DVVUODLYSA-N 2 1 191.278 1.688 10 0 ADAEMP c1nc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]32)c[nH]1 897958036 582550328 /nfs/dbraw/zinc/55/03/28/582550328.db2.gz GKGXZFBJYYUHIB-JMJZKYOTSA-N 2 1 191.278 1.688 10 0 ADAEMP Cc1cc[nH+]c(N[C@H]2C[C@H](C[NH3+])C2)c1 900430519 582572624 /nfs/dbraw/zinc/57/26/24/582572624.db2.gz BMIDPUWUWNDNJR-MGCOHNPYSA-N 2 1 191.278 1.539 10 0 ADAEMP Cc1cccc(N[C@H]2C[C@H](C[NH3+])C2)[nH+]1 900431261 582572814 /nfs/dbraw/zinc/57/28/14/582572814.db2.gz FTMZYPAQGWYIMY-MGCOHNPYSA-N 2 1 191.278 1.539 10 0 ADAEMP [NH3+]C1(CNc2cc[nH+]cc2Cl)CC1 900409730 582573144 /nfs/dbraw/zinc/57/31/44/582573144.db2.gz VVAGFAFIAFMDQM-UHFFFAOYSA-N 2 1 197.669 1.060 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C/C=C\Cl 902516304 582608819 /nfs/dbraw/zinc/60/88/19/582608819.db2.gz CVPUFAPDSJTIMQ-RKCGRGOXSA-N 2 1 174.675 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C/C=C/Cl 902516305 582609511 /nfs/dbraw/zinc/60/95/11/582609511.db2.gz CVPUFAPDSJTIMQ-WESAQQHOSA-N 2 1 174.675 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C/C=C\Cl 902516302 582609564 /nfs/dbraw/zinc/60/95/64/582609564.db2.gz CVPUFAPDSJTIMQ-NDFJAXRBSA-N 2 1 174.675 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[NH2+]C/C=C/Cl 902516303 582609629 /nfs/dbraw/zinc/60/96/29/582609629.db2.gz CVPUFAPDSJTIMQ-NNHTYMAWSA-N 2 1 174.675 1.208 10 0 ADAEMP CC(C)[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 903431279 582623759 /nfs/dbraw/zinc/62/37/59/582623759.db2.gz QLZADHQPYFNPGV-MNOVXSKESA-N 2 1 196.338 1.715 10 0 ADAEMP CC12CC(C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1)C2 903464244 582624455 /nfs/dbraw/zinc/62/44/55/582624455.db2.gz FBOSIWNFLMRPPN-ZYGVAYEYSA-N 2 1 194.322 1.598 10 0 ADAEMP CC12CC(C[N@@H+]1C[C@H]1CCC[NH2+]1)C2 903464306 582624747 /nfs/dbraw/zinc/62/47/47/582624747.db2.gz ICYMEGNIXXBOPZ-HSOILSAZSA-N 2 1 180.295 1.223 10 0 ADAEMP CC12CC(C[N@H+]1C[C@H]1CCC[NH2+]1)C2 903464306 582624749 /nfs/dbraw/zinc/62/47/49/582624749.db2.gz ICYMEGNIXXBOPZ-HSOILSAZSA-N 2 1 180.295 1.223 10 0 ADAEMP FCCC[NH2+][C@@H]1CC[NH2+]C12CCC2 903472144 582625377 /nfs/dbraw/zinc/62/53/77/582625377.db2.gz WYAVGDZJVUCRGB-SECBINFHSA-N 2 1 186.274 1.220 10 0 ADAEMP FCCC[NH2+][C@H]1CC[NH2+]C12CCC2 903472145 582625953 /nfs/dbraw/zinc/62/59/53/582625953.db2.gz WYAVGDZJVUCRGB-VIFPVBQESA-N 2 1 186.274 1.220 10 0 ADAEMP CCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F 903898074 582629887 /nfs/dbraw/zinc/62/98/87/582629887.db2.gz IDBYDVOOROUCCZ-SSDOTTSWSA-N 2 1 194.269 1.747 10 0 ADAEMP CCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F 903898075 582630088 /nfs/dbraw/zinc/63/00/88/582630088.db2.gz IDBYDVOOROUCCZ-ZETCQYMHSA-N 2 1 194.269 1.747 10 0 ADAEMP C[C@@H]1CC(C)(C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 904373557 582637497 /nfs/dbraw/zinc/63/74/97/582637497.db2.gz UCEYTPPYXVWXEM-MXWKQRLJSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CC(C)(C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 904373556 582637554 /nfs/dbraw/zinc/63/75/54/582637554.db2.gz UCEYTPPYXVWXEM-GARJFASQSA-N 2 1 196.338 1.844 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@@H+](CC2(F)CC2)C1 904406138 582636929 /nfs/dbraw/zinc/63/69/29/582636929.db2.gz RUWYWFOPIMQWOA-SECBINFHSA-N 2 1 186.274 1.159 10 0 ADAEMP [NH3+]CC[C@H]1CC[N@@H+](CC2(F)CC2)C1 904406139 582637454 /nfs/dbraw/zinc/63/74/54/582637454.db2.gz RUWYWFOPIMQWOA-VIFPVBQESA-N 2 1 186.274 1.159 10 0 ADAEMP FC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 904420337 582638479 /nfs/dbraw/zinc/63/84/79/582638479.db2.gz KXSATTVCOBZXJR-VHSXEESVSA-N 2 1 198.285 1.030 10 0 ADAEMP CCC(C)(C)C1=C[C@H]([NH3+])C[NH2+]C1 675078546 582665059 /nfs/dbraw/zinc/66/50/59/582665059.db2.gz QNOGIJURAKFFQX-VIFPVBQESA-N 2 1 168.284 1.280 10 0 ADAEMP C[C@H](CC1=C[C@@H]([NH3+])C[NH2+]C1)C(C)(C)C 675078572 582664794 /nfs/dbraw/zinc/66/47/94/582664794.db2.gz QWLCUKLNSRMUFE-MWLCHTKSSA-N 2 1 196.338 1.916 10 0 ADAEMP CC(C)[C@@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675078579 582664812 /nfs/dbraw/zinc/66/48/12/582664812.db2.gz QYQHTTNMCXVPTE-SCZZXKLOSA-N 2 1 168.284 1.135 10 0 ADAEMP C[C@@H](CC1=C[C@@H]([NH3+])C[NH2+]C1)C(C)(C)C 675078570 582664986 /nfs/dbraw/zinc/66/49/86/582664986.db2.gz QWLCUKLNSRMUFE-GXSJLCMTSA-N 2 1 196.338 1.916 10 0 ADAEMP CC(C)[C@@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675078578 582665020 /nfs/dbraw/zinc/66/50/20/582665020.db2.gz QYQHTTNMCXVPTE-PSASIEDQSA-N 2 1 168.284 1.135 10 0 ADAEMP C[C@@H](CC1=C[C@H]([NH3+])C[NH2+]C1)C(C)(C)C 675078573 582665117 /nfs/dbraw/zinc/66/51/17/582665117.db2.gz QWLCUKLNSRMUFE-ONGXEEELSA-N 2 1 196.338 1.916 10 0 ADAEMP CC(C)[C@H](C)C1=C[C@H]([NH3+])C[NH2+]C1 675078581 582665173 /nfs/dbraw/zinc/66/51/73/582665173.db2.gz QYQHTTNMCXVPTE-WPRPVWTQSA-N 2 1 168.284 1.135 10 0 ADAEMP CC(C)[C@H](C)C1=C[C@@H]([NH3+])C[NH2+]C1 675078580 582665224 /nfs/dbraw/zinc/66/52/24/582665224.db2.gz QYQHTTNMCXVPTE-WCBMZHEXSA-N 2 1 168.284 1.135 10 0 ADAEMP C[C@H](CC1=C[C@H]([NH3+])C[NH2+]C1)C(C)(C)C 675078571 582665272 /nfs/dbraw/zinc/66/52/72/582665272.db2.gz QWLCUKLNSRMUFE-KOLCDFICSA-N 2 1 196.338 1.916 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCCCC2 606257494 582704143 /nfs/dbraw/zinc/70/41/43/582704143.db2.gz BTWJQRZQMYECTL-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC2 606251338 582703610 /nfs/dbraw/zinc/70/36/10/582703610.db2.gz PGWQURJYUGJDBI-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCCC2 606257572 582703628 /nfs/dbraw/zinc/70/36/28/582703628.db2.gz LGOOWTQZGWDUNS-JTQLQIEISA-N 2 1 182.311 1.741 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])C12CCCC2 606251130 582703635 /nfs/dbraw/zinc/70/36/35/582703635.db2.gz ALBZZAKECWCWCK-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCC2 606251258 582703645 /nfs/dbraw/zinc/70/36/45/582703645.db2.gz JKKVQSMDTJQEAS-SECBINFHSA-N 2 1 168.284 1.351 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCCC2 606257573 582703736 /nfs/dbraw/zinc/70/37/36/582703736.db2.gz LGOOWTQZGWDUNS-SNVBAGLBSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCCC2 606257675 582703746 /nfs/dbraw/zinc/70/37/46/582703746.db2.gz ZHECKWGFTYLHGE-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCC2 606251261 582703762 /nfs/dbraw/zinc/70/37/62/582703762.db2.gz JKKVQSMDTJQEAS-VIFPVBQESA-N 2 1 168.284 1.351 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCCCC2 606257495 582704015 /nfs/dbraw/zinc/70/40/15/582704015.db2.gz BTWJQRZQMYECTL-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])C12CCCC2 606251129 582704066 /nfs/dbraw/zinc/70/40/66/582704066.db2.gz ALBZZAKECWCWCK-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC2 606251339 582704075 /nfs/dbraw/zinc/70/40/75/582704075.db2.gz PGWQURJYUGJDBI-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CCC[N@@H+](CC)[C@H]1CC[NH2+][C@@H](C)C1 229541218 582706567 /nfs/dbraw/zinc/70/65/67/582706567.db2.gz WSDCGVVBLQMADT-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2C[C@@H]21 755062166 582784399 /nfs/dbraw/zinc/78/43/99/582784399.db2.gz FBADUOSGTMXUAC-NEPJUHHUSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[NH+](CC)CCC[N@H+]1CC[C@H]2C[C@H]21 755062168 582784440 /nfs/dbraw/zinc/78/44/40/582784440.db2.gz FBADUOSGTMXUAC-NWDGAFQWSA-N 2 1 196.338 1.813 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2C[C@@H]21 767590520 582832504 /nfs/dbraw/zinc/83/25/04/582832504.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 2 1 194.322 1.565 10 0 ADAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]21 767590520 582832506 /nfs/dbraw/zinc/83/25/06/582832506.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 2 1 194.322 1.565 10 0 ADAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]21 767590520 582832507 /nfs/dbraw/zinc/83/25/07/582832507.db2.gz SCTITTGGYIMNHF-UTUOFQBUSA-N 2 1 194.322 1.565 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2C[C@H]21 767590512 582832685 /nfs/dbraw/zinc/83/26/85/582832685.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 2 1 194.322 1.565 10 0 ADAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]21 767590512 582832688 /nfs/dbraw/zinc/83/26/88/582832688.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 2 1 194.322 1.565 10 0 ADAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]21 767590512 582832691 /nfs/dbraw/zinc/83/26/91/582832691.db2.gz SCTITTGGYIMNHF-QJPTWQEYSA-N 2 1 194.322 1.565 10 0 ADAEMP CC[N@@H+](CC1CC[NH+](C)CC1)C1CC1 788473966 582902553 /nfs/dbraw/zinc/90/25/53/582902553.db2.gz DJKDTYXHIPQASR-UHFFFAOYSA-N 2 1 196.338 1.813 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 788486989 582902678 /nfs/dbraw/zinc/90/26/78/582902678.db2.gz AOUITTJQZWAOEN-LLVKDONJSA-N 2 1 196.338 1.670 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)C1 788486990 582903080 /nfs/dbraw/zinc/90/30/80/582903080.db2.gz AOUITTJQZWAOEN-NSHDSACASA-N 2 1 196.338 1.670 10 0 ADAEMP CC[C@@]1(C)CCOC2(CC[NH2+]CC2)[NH2+]1 757154340 582945868 /nfs/dbraw/zinc/94/58/68/582945868.db2.gz ZYRRSHOVNMONIP-JTQLQIEISA-N 2 1 198.310 1.245 10 0 ADAEMP CC[C@]1(C)CCOC2(CC[NH2+]CC2)[NH2+]1 757154349 582945926 /nfs/dbraw/zinc/94/59/26/582945926.db2.gz ZYRRSHOVNMONIP-SNVBAGLBSA-N 2 1 198.310 1.245 10 0 ADAEMP [NH3+]C[C@H]1CC[C@@H](c2ccsc2)C[NH2+]1 757208700 582950613 /nfs/dbraw/zinc/95/06/13/582950613.db2.gz APOCIHUUOJDLSO-PSASIEDQSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H](c2ccsc2)C[NH2+]1 757208709 582950692 /nfs/dbraw/zinc/95/06/92/582950692.db2.gz APOCIHUUOJDLSO-WPRPVWTQSA-N 2 1 196.319 1.542 10 0 ADAEMP C[C@@H]1[NH2+][C@@H](c2cccs2)CC[C@@H]1[NH3+] 757211158 582950887 /nfs/dbraw/zinc/95/08/87/582950887.db2.gz GOJDCZJVFDVMMJ-XHNCKOQMSA-N 2 1 196.319 1.888 10 0 ADAEMP [NH3+]C[C@H]1C[C@H](c2ccsc2)CC[NH2+]1 757208718 582950914 /nfs/dbraw/zinc/95/09/14/582950914.db2.gz AUBMEDQVFFQKBF-PSASIEDQSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@@H]1C[C@H](c2ccsc2)CC[NH2+]1 757208720 582950963 /nfs/dbraw/zinc/95/09/63/582950963.db2.gz AUBMEDQVFFQKBF-SCZZXKLOSA-N 2 1 196.319 1.542 10 0 ADAEMP C[C@@H]1[NH2+][C@@H](c2cccs2)CC[C@H]1[NH3+] 757211157 582950976 /nfs/dbraw/zinc/95/09/76/582950976.db2.gz GOJDCZJVFDVMMJ-DJLDLDEBSA-N 2 1 196.319 1.888 10 0 ADAEMP [NH3+]C[C@H]1CC[C@H](c2ccsc2)C[NH2+]1 757208707 582951041 /nfs/dbraw/zinc/95/10/41/582951041.db2.gz APOCIHUUOJDLSO-WCBMZHEXSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H](c2ccsc2)C[NH2+]1 757208706 582951019 /nfs/dbraw/zinc/95/10/19/582951019.db2.gz APOCIHUUOJDLSO-SCZZXKLOSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@H]1C[C@@H](c2cccs2)CC[NH2+]1 757210988 582951035 /nfs/dbraw/zinc/95/10/35/582951035.db2.gz FDJXEUQTFYBFOE-DTWKUNHWSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@H]1C[C@H](c2cccs2)CC[NH2+]1 757210990 582951108 /nfs/dbraw/zinc/95/11/08/582951108.db2.gz FDJXEUQTFYBFOE-RKDXNWHRSA-N 2 1 196.319 1.542 10 0 ADAEMP C[C@@H]1[NH2+][C@H](c2cccs2)CC[C@@H]1[NH3+] 757211156 582951144 /nfs/dbraw/zinc/95/11/44/582951144.db2.gz GOJDCZJVFDVMMJ-CIUDSAMLSA-N 2 1 196.319 1.888 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H](c2cccs2)CC[NH2+]1 757210989 582951250 /nfs/dbraw/zinc/95/12/50/582951250.db2.gz FDJXEUQTFYBFOE-IUCAKERBSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H](c2ccsc2)CC[NH2+]1 757208725 582951335 /nfs/dbraw/zinc/95/13/35/582951335.db2.gz AUBMEDQVFFQKBF-WPRPVWTQSA-N 2 1 196.319 1.542 10 0 ADAEMP [NH3+]C[C@H]1C[C@@H](c2ccsc2)CC[NH2+]1 757208723 582951419 /nfs/dbraw/zinc/95/14/19/582951419.db2.gz AUBMEDQVFFQKBF-WCBMZHEXSA-N 2 1 196.319 1.542 10 0 ADAEMP CCCC[C@@H]1CC[C@H](C[NH3+])[NH2+]C1 757214269 582951651 /nfs/dbraw/zinc/95/16/51/582951651.db2.gz LTHGAKRZKAAKQO-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@@H]1C[C@H](c2cccs2)[NH2+]C[C@H]1[NH3+] 757213896 582951674 /nfs/dbraw/zinc/95/16/74/582951674.db2.gz KNBDIANVYBPOIG-IWSPIJDZSA-N 2 1 196.319 1.746 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cccs1 757213397 582951678 /nfs/dbraw/zinc/95/16/78/582951678.db2.gz JXWMBQZNIOHCKE-WEDXCCLWSA-N 2 1 196.319 1.746 10 0 ADAEMP CCCC[C@H]1CC[C@H](C[NH3+])[NH2+]C1 757214276 582951740 /nfs/dbraw/zinc/95/17/40/582951740.db2.gz LTHGAKRZKAAKQO-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@@H]1C[C@@H](c2cccs2)[NH2+]C[C@H]1[NH3+] 757213890 582951833 /nfs/dbraw/zinc/95/18/33/582951833.db2.gz KNBDIANVYBPOIG-HLTSFMKQSA-N 2 1 196.319 1.746 10 0 ADAEMP Nc1cccc([C@H]2CC[C@@H]([NH3+])C[NH2+]2)c1 757214284 582951839 /nfs/dbraw/zinc/95/18/39/582951839.db2.gz LVMDJJLPSIEREU-GHMZBOCLSA-N 2 1 191.278 1.021 10 0 ADAEMP CC(C)C[C@H]1CC[NH2+][C@H](C[NH3+])C1 757212554 582951851 /nfs/dbraw/zinc/95/18/51/582951851.db2.gz IVCIKNCXNQWUCN-ZJUUUORDSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cccs1 757213395 582951896 /nfs/dbraw/zinc/95/18/96/582951896.db2.gz JXWMBQZNIOHCKE-NQMVMOMDSA-N 2 1 196.319 1.746 10 0 ADAEMP CC(C)C[C@@H]1CC[NH2+][C@@H](C[NH3+])C1 757212553 582951901 /nfs/dbraw/zinc/95/19/01/582951901.db2.gz IVCIKNCXNQWUCN-VHSXEESVSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1C[C@H](c2cccs2)[NH2+]C[C@@H]1[NH3+] 757213893 582951949 /nfs/dbraw/zinc/95/19/49/582951949.db2.gz KNBDIANVYBPOIG-HRDYMLBCSA-N 2 1 196.319 1.746 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1cccs1 757213392 582952095 /nfs/dbraw/zinc/95/20/95/582952095.db2.gz JXWMBQZNIOHCKE-MRTMQBJTSA-N 2 1 196.319 1.746 10 0 ADAEMP C[C@@H]1C[C@@H](c2cccs2)[NH2+]C[C@@H]1[NH3+] 757213901 582952127 /nfs/dbraw/zinc/95/21/27/582952127.db2.gz KNBDIANVYBPOIG-VGMNWLOBSA-N 2 1 196.319 1.746 10 0 ADAEMP CC(C)C[C@@H]1CC[NH2+][C@H](C[NH3+])C1 757212552 582952251 /nfs/dbraw/zinc/95/22/51/582952251.db2.gz IVCIKNCXNQWUCN-UWVGGRQHSA-N 2 1 170.300 1.359 10 0 ADAEMP CCCC[C@@H]1CC[C@@H](C[NH3+])[NH2+]C1 757214282 582952348 /nfs/dbraw/zinc/95/23/48/582952348.db2.gz LTHGAKRZKAAKQO-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1cccs1 757213389 582952430 /nfs/dbraw/zinc/95/24/30/582952430.db2.gz JXWMBQZNIOHCKE-KHQFGBGNSA-N 2 1 196.319 1.746 10 0 ADAEMP CCCC[C@H]1CC[C@@H](C[NH3+])[NH2+]C1 757214272 582952445 /nfs/dbraw/zinc/95/24/45/582952445.db2.gz LTHGAKRZKAAKQO-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP Nc1cccc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)c1 757214288 582952457 /nfs/dbraw/zinc/95/24/57/582952457.db2.gz LVMDJJLPSIEREU-MNOVXSKESA-N 2 1 191.278 1.021 10 0 ADAEMP CC(C)C[C@H]1CC[NH2+][C@@H](C[NH3+])C1 757212551 582952464 /nfs/dbraw/zinc/95/24/64/582952464.db2.gz IVCIKNCXNQWUCN-NXEZZACHSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1[NH2+][C@H](c2ccccc2)CC[C@@H]1[NH3+] 757217430 582954512 /nfs/dbraw/zinc/95/45/12/582954512.db2.gz RUJLBYURIWSCSI-DLOVCJGASA-N 2 1 190.290 1.827 10 0 ADAEMP C[C@@H]1[NH2+][C@@H](c2ccccc2)CC[C@@H]1[NH3+] 757217454 582954539 /nfs/dbraw/zinc/95/45/39/582954539.db2.gz RUJLBYURIWSCSI-ZMLRMANQSA-N 2 1 190.290 1.827 10 0 ADAEMP C[C@@H]1[NH2+][C@@H](c2ccccc2)CC[C@H]1[NH3+] 757217450 582954578 /nfs/dbraw/zinc/95/45/78/582954578.db2.gz RUJLBYURIWSCSI-MVWJERBFSA-N 2 1 190.290 1.827 10 0 ADAEMP C[C@@H]1[NH2+][C@H](c2ccccc2)CC[C@H]1[NH3+] 757217451 582954775 /nfs/dbraw/zinc/95/47/75/582954775.db2.gz RUJLBYURIWSCSI-WCQGTBRESA-N 2 1 190.290 1.827 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 817940455 582998772 /nfs/dbraw/zinc/99/87/72/582998772.db2.gz HWKDHWKHRKYFPX-GRYCIOLGSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 817940457 582998759 /nfs/dbraw/zinc/99/87/59/582998759.db2.gz HWKDHWKHRKYFPX-SRVKXCTJSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 817940458 582998910 /nfs/dbraw/zinc/99/89/10/582998910.db2.gz HWKDHWKHRKYFPX-WOPDTQHZSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 817940456 582999428 /nfs/dbraw/zinc/99/94/28/582999428.db2.gz HWKDHWKHRKYFPX-SDDRHHMPSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH2+]C1CC1 817951929 582999617 /nfs/dbraw/zinc/99/96/17/582999617.db2.gz BORILBYSGYSLPE-RYUDHWBXSA-N 2 1 196.338 1.763 10 0 ADAEMP C[NH2+]CC[NH2+][C@H]1CC[C@H]1C(C)C 817953235 582999669 /nfs/dbraw/zinc/99/96/69/582999669.db2.gz XWMPHIYLGCKSAA-UWVGGRQHSA-N 2 1 170.300 1.230 10 0 ADAEMP C[NH2+]CC[NH2+][C@H]1CC[C@@H]1C(C)C 817953238 582999783 /nfs/dbraw/zinc/99/97/83/582999783.db2.gz XWMPHIYLGCKSAA-ZJUUUORDSA-N 2 1 170.300 1.230 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[NH2+]C1CC1 817951927 582999795 /nfs/dbraw/zinc/99/97/95/582999795.db2.gz BORILBYSGYSLPE-NEPJUHHUSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[NH2+]C1CC1 817951928 582999827 /nfs/dbraw/zinc/99/98/27/582999827.db2.gz BORILBYSGYSLPE-NWDGAFQWSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 817968210 582999846 /nfs/dbraw/zinc/99/98/46/582999846.db2.gz HWKDHWKHRKYFPX-IJLUTSLNSA-N 2 1 196.338 1.763 10 0 ADAEMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C(C)C 817953234 582999863 /nfs/dbraw/zinc/99/98/63/582999863.db2.gz XWMPHIYLGCKSAA-NXEZZACHSA-N 2 1 170.300 1.230 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 817968211 582999879 /nfs/dbraw/zinc/99/98/79/582999879.db2.gz HWKDHWKHRKYFPX-UTUOFQBUSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C(C)(C)C 817970210 582999884 /nfs/dbraw/zinc/99/98/84/582999884.db2.gz OHJOYUBXKAZOCB-LPEHRKFASA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 817959643 582999893 /nfs/dbraw/zinc/99/98/93/582999893.db2.gz FMIGEIZFCDHFIG-SRVKXCTJSA-N 2 1 196.338 1.748 10 0 ADAEMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C(C)C 817952563 582999915 /nfs/dbraw/zinc/99/99/15/582999915.db2.gz RTBQOUASPKEQNR-GHMZBOCLSA-N 2 1 184.327 1.620 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 817959644 582999920 /nfs/dbraw/zinc/99/99/20/582999920.db2.gz FMIGEIZFCDHFIG-TUAOUCFPSA-N 2 1 196.338 1.748 10 0 ADAEMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]1C(C)C 817953236 582999929 /nfs/dbraw/zinc/99/99/29/582999929.db2.gz XWMPHIYLGCKSAA-VHSXEESVSA-N 2 1 170.300 1.230 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 817944975 582999952 /nfs/dbraw/zinc/99/99/52/582999952.db2.gz QOKLLHNMZQITNW-VWYCJHECSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 817959642 583000021 /nfs/dbraw/zinc/00/00/21/583000021.db2.gz FMIGEIZFCDHFIG-SDDRHHMPSA-N 2 1 196.338 1.748 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 817964874 583000055 /nfs/dbraw/zinc/00/00/55/583000055.db2.gz HWKDHWKHRKYFPX-TUAOUCFPSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+]CC[NH2+]C1CC1 817951931 583000115 /nfs/dbraw/zinc/00/01/15/583000115.db2.gz BORILBYSGYSLPE-VXGBXAGGSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH3+] 817966130 583000168 /nfs/dbraw/zinc/00/01/68/583000168.db2.gz GYJOGTFPNUXOTP-UTLUCORTSA-N 2 1 170.300 1.358 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)C[NH3+] 817966129 583000216 /nfs/dbraw/zinc/00/02/16/583000216.db2.gz GYJOGTFPNUXOTP-OPRDCNLKSA-N 2 1 170.300 1.358 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)C[NH3+] 817966127 583000241 /nfs/dbraw/zinc/00/02/41/583000241.db2.gz GYJOGTFPNUXOTP-BBBLOLIVSA-N 2 1 170.300 1.358 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 817944974 583000275 /nfs/dbraw/zinc/00/02/75/583000275.db2.gz QOKLLHNMZQITNW-OUAUKWLOSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C(C)(C)C 817970209 583000281 /nfs/dbraw/zinc/00/02/81/583000281.db2.gz OHJOYUBXKAZOCB-IVZWLZJFSA-N 2 1 184.327 1.748 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH3+] 817969681 583000312 /nfs/dbraw/zinc/00/03/12/583000312.db2.gz GYJOGTFPNUXOTP-LPEHRKFASA-N 2 1 170.300 1.358 10 0 ADAEMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H]1C(C)C 817952565 583000326 /nfs/dbraw/zinc/00/03/26/583000326.db2.gz RTBQOUASPKEQNR-MNOVXSKESA-N 2 1 184.327 1.620 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 817944972 583000364 /nfs/dbraw/zinc/00/03/64/583000364.db2.gz QOKLLHNMZQITNW-DCAQKATOSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 817964873 583000382 /nfs/dbraw/zinc/00/03/82/583000382.db2.gz HWKDHWKHRKYFPX-QJPTWQEYSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 817969628 583000536 /nfs/dbraw/zinc/00/05/36/583000536.db2.gz FLXSWIGAJITHOD-ZDCRXTMVSA-N 2 1 182.311 1.502 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]2C[C@]21C 817969627 583000550 /nfs/dbraw/zinc/00/05/50/583000550.db2.gz FLXSWIGAJITHOD-UKKRHICBSA-N 2 1 182.311 1.502 10 0 ADAEMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]1C(C)C 817952570 583000562 /nfs/dbraw/zinc/00/05/62/583000562.db2.gz RTBQOUASPKEQNR-WDEREUQCSA-N 2 1 184.327 1.620 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C[NH3+])C1CC1 817959641 583000619 /nfs/dbraw/zinc/00/06/19/583000619.db2.gz FMIGEIZFCDHFIG-QJPTWQEYSA-N 2 1 196.338 1.748 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 817944973 583000682 /nfs/dbraw/zinc/00/06/82/583000682.db2.gz QOKLLHNMZQITNW-GARJFASQSA-N 2 1 182.311 1.373 10 0 ADAEMP CC[NH2+]CC[NH2+][C@H]1CC[C@H]1C(C)C 817952567 583000699 /nfs/dbraw/zinc/00/06/99/583000699.db2.gz RTBQOUASPKEQNR-QWRGUYRKSA-N 2 1 184.327 1.620 10 0 ADAEMP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH3+] 817966128 583000729 /nfs/dbraw/zinc/00/07/29/583000729.db2.gz GYJOGTFPNUXOTP-KXUCPTDWSA-N 2 1 170.300 1.358 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CC[C@H]1C1CC1 817972496 583001206 /nfs/dbraw/zinc/00/12/06/583001206.db2.gz MATLOGMAAJXKKN-MIMYLULJSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C(C)(C)C 817970207 583001410 /nfs/dbraw/zinc/00/14/10/583001410.db2.gz OHJOYUBXKAZOCB-AEJSXWLSSA-N 2 1 184.327 1.748 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C(C)(C)C 817970208 583001399 /nfs/dbraw/zinc/00/13/99/583001399.db2.gz OHJOYUBXKAZOCB-GUBZILKMSA-N 2 1 184.327 1.748 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CC[C@@H]1C1CC1 817972495 583001436 /nfs/dbraw/zinc/00/14/36/583001436.db2.gz MATLOGMAAJXKKN-IEBDPFPHSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH3+] 817969678 583001457 /nfs/dbraw/zinc/00/14/57/583001457.db2.gz GYJOGTFPNUXOTP-AEJSXWLSSA-N 2 1 170.300 1.358 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 817972494 583001463 /nfs/dbraw/zinc/00/14/63/583001463.db2.gz MATLOGMAAJXKKN-FBIMIBRVSA-N 2 1 182.311 1.373 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H]1C1CC1 817972493 583001469 /nfs/dbraw/zinc/00/14/69/583001469.db2.gz MATLOGMAAJXKKN-DVVUODLYSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)C[NH3+] 817969680 583001833 /nfs/dbraw/zinc/00/18/33/583001833.db2.gz GYJOGTFPNUXOTP-IVZWLZJFSA-N 2 1 170.300 1.358 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH3+] 817969679 583001899 /nfs/dbraw/zinc/00/18/99/583001899.db2.gz GYJOGTFPNUXOTP-GUBZILKMSA-N 2 1 170.300 1.358 10 0 ADAEMP CC12CC(C[N@H+]1CCCCCC[NH3+])C2 852763063 583210912 /nfs/dbraw/zinc/21/09/12/583210912.db2.gz GJEKKFJPJXHTCA-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+][C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 203947481 583309917 /nfs/dbraw/zinc/30/99/17/583309917.db2.gz OQPMZLJYWUDJDM-QWRGUYRKSA-N 2 1 176.263 1.438 10 0 ADAEMP [NH3+][C@H]1CC[C@H](c2ccccc2)[NH2+]C1 203947494 583309934 /nfs/dbraw/zinc/30/99/34/583309934.db2.gz OQPMZLJYWUDJDM-WDEREUQCSA-N 2 1 176.263 1.438 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 863547245 583311101 /nfs/dbraw/zinc/31/11/01/583311101.db2.gz QOKLLHNMZQITNW-GMTAPVOTSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 863547246 583311308 /nfs/dbraw/zinc/31/13/08/583311308.db2.gz QOKLLHNMZQITNW-MXWKQRLJSA-N 2 1 182.311 1.373 10 0 ADAEMP C1CC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 866722648 583332120 /nfs/dbraw/zinc/33/21/20/583332120.db2.gz AUWMDHCWTKAWNI-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 866722648 583332123 /nfs/dbraw/zinc/33/21/23/583332123.db2.gz AUWMDHCWTKAWNI-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@@H]2[NH2+]CC[C@H]2[N@H+](CC2CC2)C1 866724218 583332221 /nfs/dbraw/zinc/33/22/21/583332221.db2.gz LSQXLDZQIQPXQB-WDEREUQCSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2[NH2+]CC[C@H]2[N@@H+](CC2CC2)C1 866724218 583332224 /nfs/dbraw/zinc/33/22/24/583332224.db2.gz LSQXLDZQIQPXQB-WDEREUQCSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 866722646 583332375 /nfs/dbraw/zinc/33/23/75/583332375.db2.gz AUWMDHCWTKAWNI-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)C1 866722646 583332376 /nfs/dbraw/zinc/33/23/76/583332376.db2.gz AUWMDHCWTKAWNI-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 866722647 583332486 /nfs/dbraw/zinc/33/24/86/583332486.db2.gz AUWMDHCWTKAWNI-NWDGAFQWSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)C1 866722647 583332488 /nfs/dbraw/zinc/33/24/88/583332488.db2.gz AUWMDHCWTKAWNI-NWDGAFQWSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]2[NH2+]CC[C@H]2[N@H+](CC2CC2)C1 866724213 583332508 /nfs/dbraw/zinc/33/25/08/583332508.db2.gz LSQXLDZQIQPXQB-GHMZBOCLSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]2[NH2+]CC[C@H]2[N@@H+](CC2CC2)C1 866724213 583332510 /nfs/dbraw/zinc/33/25/10/583332510.db2.gz LSQXLDZQIQPXQB-GHMZBOCLSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2[NH2+]CC[C@@H]2[N@H+](CC2CC2)C1 866724217 583332786 /nfs/dbraw/zinc/33/27/86/583332786.db2.gz LSQXLDZQIQPXQB-QWRGUYRKSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2[NH2+]CC[C@@H]2[N@@H+](CC2CC2)C1 866724217 583332788 /nfs/dbraw/zinc/33/27/88/583332788.db2.gz LSQXLDZQIQPXQB-QWRGUYRKSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]2[NH2+]CC[C@@H]2[N@H+](CC2CC2)C1 866724215 583332824 /nfs/dbraw/zinc/33/28/24/583332824.db2.gz LSQXLDZQIQPXQB-MNOVXSKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]2[NH2+]CC[C@@H]2[N@@H+](CC2CC2)C1 866724215 583332828 /nfs/dbraw/zinc/33/28/28/583332828.db2.gz LSQXLDZQIQPXQB-MNOVXSKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 866722649 583332919 /nfs/dbraw/zinc/33/29/19/583332919.db2.gz AUWMDHCWTKAWNI-VXGBXAGGSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)C1 866722649 583332921 /nfs/dbraw/zinc/33/29/21/583332921.db2.gz AUWMDHCWTKAWNI-VXGBXAGGSA-N 2 1 194.322 1.613 10 0 ADAEMP CCCCCC[N@@H+]1CCC[C@H]1C[NH3+] 20519816 583381698 /nfs/dbraw/zinc/38/16/98/583381698.db2.gz ZUKKYYUPKNWVFZ-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CCCCCC[N@H+]1CCC[C@H]1C[NH3+] 20519816 583381701 /nfs/dbraw/zinc/38/17/01/583381701.db2.gz ZUKKYYUPKNWVFZ-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 879570572 583419794 /nfs/dbraw/zinc/41/97/94/583419794.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 879570572 583419796 /nfs/dbraw/zinc/41/97/96/583419796.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879570572 583419797 /nfs/dbraw/zinc/41/97/97/583419797.db2.gz HKKWXNQWDHZDRU-QWRGUYRKSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 879570571 583419907 /nfs/dbraw/zinc/41/99/07/583419907.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879570571 583419908 /nfs/dbraw/zinc/41/99/08/583419908.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 879570571 583419909 /nfs/dbraw/zinc/41/99/09/583419909.db2.gz HKKWXNQWDHZDRU-MNOVXSKESA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 879570573 583420414 /nfs/dbraw/zinc/42/04/14/583420414.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879570573 583420415 /nfs/dbraw/zinc/42/04/15/583420415.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879570573 583420416 /nfs/dbraw/zinc/42/04/16/583420416.db2.gz HKKWXNQWDHZDRU-WDEREUQCSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 879570570 583420543 /nfs/dbraw/zinc/42/05/43/583420543.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879570570 583420546 /nfs/dbraw/zinc/42/05/46/583420546.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 2 1 182.311 1.422 10 0 ADAEMP CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879570570 583420548 /nfs/dbraw/zinc/42/05/48/583420548.db2.gz HKKWXNQWDHZDRU-GHMZBOCLSA-N 2 1 182.311 1.422 10 0 ADAEMP C1C[NH2+]C[C@]2(C1)CCC[N@@H+]2CC1CC1 211348744 583440411 /nfs/dbraw/zinc/44/04/11/583440411.db2.gz FDBUPWRAVLQADR-LBPRGKRZSA-N 2 1 194.322 1.614 10 0 ADAEMP C1C[N@H+](CCC2CC2)[C@]2(C1)CC[NH2+]C2 211345586 583440727 /nfs/dbraw/zinc/44/07/27/583440727.db2.gz GLMAVFRXMNFWQJ-GFCCVEGCSA-N 2 1 194.322 1.614 10 0 ADAEMP CCC[N@H+]1CC[C@]2(CCC[NH2+]C2)C1 211343178 583440791 /nfs/dbraw/zinc/44/07/91/583440791.db2.gz OUXUDRNBZCWWEA-NSHDSACASA-N 2 1 182.311 1.472 10 0 ADAEMP CCC[N@H+]1CC[C@@]2(CCC[NH2+]C2)C1 211343247 583441078 /nfs/dbraw/zinc/44/10/78/583441078.db2.gz OUXUDRNBZCWWEA-LLVKDONJSA-N 2 1 182.311 1.472 10 0 ADAEMP C1C[N@H+](CCC2CC2)[C@@]2(C1)CC[NH2+]C2 211345520 583441344 /nfs/dbraw/zinc/44/13/44/583441344.db2.gz GLMAVFRXMNFWQJ-LBPRGKRZSA-N 2 1 194.322 1.614 10 0 ADAEMP C[N@H+](CCF)[C@@H]1CCC[NH2+]CC1 212589604 583454542 /nfs/dbraw/zinc/45/45/42/583454542.db2.gz CKAOTIHPKDFVSK-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[N@@H+](CCF)[C@@H]1CCC[NH2+]CC1 212589604 583454545 /nfs/dbraw/zinc/45/45/45/583454545.db2.gz CKAOTIHPKDFVSK-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[N@H+](CCF)[C@H]1CCC[NH2+]CC1 212589665 583454875 /nfs/dbraw/zinc/45/48/75/583454875.db2.gz CKAOTIHPKDFVSK-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C[N@@H+](CCF)[C@H]1CCC[NH2+]CC1 212589665 583454876 /nfs/dbraw/zinc/45/48/76/583454876.db2.gz CKAOTIHPKDFVSK-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C=C/C=C/CC[N@@H+]1CC2CC1(C[NH3+])C2 883436068 583466128 /nfs/dbraw/zinc/46/61/28/583466128.db2.gz JRNZOQLYDUGCFW-ONEGZZNKSA-N 2 1 192.306 1.542 10 0 ADAEMP C=C/C=C\CC[N@@H+]1CC2CC1(C[NH3+])C2 883436067 583466170 /nfs/dbraw/zinc/46/61/70/583466170.db2.gz JRNZOQLYDUGCFW-ARJAWSKDSA-N 2 1 192.306 1.542 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1CC1CCCCC1 215766512 583480789 /nfs/dbraw/zinc/48/07/89/583480789.db2.gz DKUGUCKRXKKVPM-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1CC1CCCCC1 215766512 583480793 /nfs/dbraw/zinc/48/07/93/583480793.db2.gz DKUGUCKRXKKVPM-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+]1CC1CCCC1 215766345 583480910 /nfs/dbraw/zinc/48/09/10/583480910.db2.gz BYZQUDDUBSZSOA-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]1CC1CCCC1 215766345 583480913 /nfs/dbraw/zinc/48/09/13/583480913.db2.gz BYZQUDDUBSZSOA-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1CC1CCCC1 215766395 583481041 /nfs/dbraw/zinc/48/10/41/583481041.db2.gz BYZQUDDUBSZSOA-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1CC1CCCC1 215766395 583481044 /nfs/dbraw/zinc/48/10/44/583481044.db2.gz BYZQUDDUBSZSOA-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+]1CC1CCCCC1 215766463 583481236 /nfs/dbraw/zinc/48/12/36/583481236.db2.gz DKUGUCKRXKKVPM-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]1CC1CCCCC1 215766463 583481239 /nfs/dbraw/zinc/48/12/39/583481239.db2.gz DKUGUCKRXKKVPM-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CCC[NH2+][C@H]1COc2ccccc21 135304417 583482296 /nfs/dbraw/zinc/48/22/96/583482296.db2.gz LNOLJXNEANRWEC-JTQLQIEISA-N 2 1 192.262 1.059 10 0 ADAEMP [NH3+]CCC[NH2+][C@@H]1COc2ccccc21 135304395 583482386 /nfs/dbraw/zinc/48/23/86/583482386.db2.gz LNOLJXNEANRWEC-SNVBAGLBSA-N 2 1 192.262 1.059 10 0 ADAEMP CCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 218758653 583493939 /nfs/dbraw/zinc/49/39/39/583493939.db2.gz KIMRGAVPSJCKGC-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 218758653 583493941 /nfs/dbraw/zinc/49/39/41/583493941.db2.gz KIMRGAVPSJCKGC-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 218758605 583494376 /nfs/dbraw/zinc/49/43/76/583494376.db2.gz KIMRGAVPSJCKGC-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 218758605 583494379 /nfs/dbraw/zinc/49/43/79/583494379.db2.gz KIMRGAVPSJCKGC-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 886827105 583502293 /nfs/dbraw/zinc/50/22/93/583502293.db2.gz DWCQYVTXEROGDU-IVZWLZJFSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@H]([NH3+])C1 886827105 583502295 /nfs/dbraw/zinc/50/22/95/583502295.db2.gz DWCQYVTXEROGDU-IVZWLZJFSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 886827106 583502425 /nfs/dbraw/zinc/50/24/25/583502425.db2.gz DWCQYVTXEROGDU-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 886827106 583502426 /nfs/dbraw/zinc/50/24/26/583502426.db2.gz DWCQYVTXEROGDU-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 886827187 583502663 /nfs/dbraw/zinc/50/26/63/583502663.db2.gz GJNSJBFGQRIRMC-HBNTYKKESA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 886827186 583502866 /nfs/dbraw/zinc/50/28/66/583502866.db2.gz GJNSJBFGQRIRMC-GMTAPVOTSA-N 2 1 196.338 1.702 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H]2C[C@H]2C(C)(C)C)C1 886827912 583502913 /nfs/dbraw/zinc/50/29/13/583502913.db2.gz UEPGFZZUBIBMSE-HBNTYKKESA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H]2C[C@H]2C(C)(C)C)C1 886827912 583502914 /nfs/dbraw/zinc/50/29/14/583502914.db2.gz UEPGFZZUBIBMSE-HBNTYKKESA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C(C)(C)C)C1 886827911 583502977 /nfs/dbraw/zinc/50/29/77/583502977.db2.gz UEPGFZZUBIBMSE-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C(C)(C)C)C1 886827911 583502979 /nfs/dbraw/zinc/50/29/79/583502979.db2.gz UEPGFZZUBIBMSE-GMTAPVOTSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 886827482 583503213 /nfs/dbraw/zinc/50/32/13/583503213.db2.gz LSYRTBFYLTYLFW-GMTAPVOTSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)(C)[C@@H]1C[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 886827483 583503294 /nfs/dbraw/zinc/50/32/94/583503294.db2.gz LSYRTBFYLTYLFW-HBNTYKKESA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 886865607 583503556 /nfs/dbraw/zinc/50/35/56/583503556.db2.gz PGPSDDTZCOHVCF-LBPRGKRZSA-N 2 1 196.338 1.862 10 0 ADAEMP CCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 886865606 583503882 /nfs/dbraw/zinc/50/38/82/583503882.db2.gz PGPSDDTZCOHVCF-GFCCVEGCSA-N 2 1 196.338 1.862 10 0 ADAEMP [NH3+][C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 221685007 583504870 /nfs/dbraw/zinc/50/48/70/583504870.db2.gz OQPMZLJYWUDJDM-GHMZBOCLSA-N 2 1 176.263 1.438 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 221684957 583504993 /nfs/dbraw/zinc/50/49/93/583504993.db2.gz OQPMZLJYWUDJDM-MNOVXSKESA-N 2 1 176.263 1.438 10 0 ADAEMP CC(C)CC[C@H]1CCC[N@@H+]1CC[NH3+] 75576758 490022676 /nfs/dbraw/zinc/02/26/76/490022676.db2.gz UMGVWTWFOXEHTO-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[C@H]1CCC[N@H+]1CC[NH3+] 75576758 490022678 /nfs/dbraw/zinc/02/26/78/490022678.db2.gz UMGVWTWFOXEHTO-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[C@@H]1CCC[N@@H+]1CC[NH3+] 75576756 490022691 /nfs/dbraw/zinc/02/26/91/490022691.db2.gz UMGVWTWFOXEHTO-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[C@@H]1CCC[N@H+]1CC[NH3+] 75576756 490022693 /nfs/dbraw/zinc/02/26/93/490022693.db2.gz UMGVWTWFOXEHTO-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CCC1 127520789 490043059 /nfs/dbraw/zinc/04/30/59/490043059.db2.gz YJXRVDVTEJHLFD-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CCC1 127520541 490043393 /nfs/dbraw/zinc/04/33/93/490043393.db2.gz YJXRVDVTEJHLFD-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@@H](C)C1 129413865 490050721 /nfs/dbraw/zinc/05/07/21/490050721.db2.gz RXJINFTXRJDYGO-OPRDCNLKSA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CC[C@@H](C)C1 129413449 490050812 /nfs/dbraw/zinc/05/08/12/490050812.db2.gz RXJINFTXRJDYGO-BBBLOLIVSA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CC[C@H](C)C1 129413638 490051227 /nfs/dbraw/zinc/05/12/27/490051227.db2.gz RXJINFTXRJDYGO-AEJSXWLSSA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CC[C@H](C)C1 129414022 490051383 /nfs/dbraw/zinc/05/13/83/490051383.db2.gz RXJINFTXRJDYGO-IVZWLZJFSA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H]1CCC(C)(C)C1 129545228 490051952 /nfs/dbraw/zinc/05/19/52/490051952.db2.gz IAKACOKIHSLGHP-NXEZZACHSA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H]1CCC(C)(C)C1 129545424 490052266 /nfs/dbraw/zinc/05/22/66/490052266.db2.gz IAKACOKIHSLGHP-UWVGGRQHSA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H]1CCC(C)(C)C1 129545647 490052379 /nfs/dbraw/zinc/05/23/79/490052379.db2.gz IAKACOKIHSLGHP-ZJUUUORDSA-N 2 1 184.327 1.763 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCC(C)(C)C1 129544987 490052461 /nfs/dbraw/zinc/05/24/61/490052461.db2.gz IAKACOKIHSLGHP-VHSXEESVSA-N 2 1 184.327 1.763 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 219845409 490073715 /nfs/dbraw/zinc/07/37/15/490073715.db2.gz LKQVSXGGWNORIN-TUAOUCFPSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1CC2(CCC2)C[N@H+]1CCC[NH3+] 334820567 490134227 /nfs/dbraw/zinc/13/42/27/490134227.db2.gz ZOPCRKABRNUCFA-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CC2(CCC2)C[N@H+]1CCC[NH3+] 334820569 490134296 /nfs/dbraw/zinc/13/42/96/490134296.db2.gz ZOPCRKABRNUCFA-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[N@H+](CC[NH3+])CCC(C)(C)C1CC1 405703061 490149604 /nfs/dbraw/zinc/14/96/04/490149604.db2.gz BPAJMQFIHZXOOR-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP C[N@@H+](CC[NH3+])CCC(C)(C)C1CC1 405703061 490149609 /nfs/dbraw/zinc/14/96/09/490149609.db2.gz BPAJMQFIHZXOOR-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@H]1C 380654111 697912502 /nfs/dbraw/zinc/91/25/02/697912502.db2.gz BNSIPURTOINIHL-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1[C@@H](C)CC[C@H]1C 706444024 698054664 /nfs/dbraw/zinc/05/46/64/698054664.db2.gz COEDWJBIGCNSLT-WYUUTHIRSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[C@H]1CC[N@H+](CC[NH3+])C1 82855321 491022832 /nfs/dbraw/zinc/02/28/32/491022832.db2.gz PMYIDYWETQPZSK-SNVBAGLBSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)C[C@H]1CC[N@@H+](CC[NH3+])C1 82855321 491022833 /nfs/dbraw/zinc/02/28/33/491022833.db2.gz PMYIDYWETQPZSK-SNVBAGLBSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)C[C@@H]1CC[N@H+](CC[NH3+])C1 82855320 491022856 /nfs/dbraw/zinc/02/28/56/491022856.db2.gz PMYIDYWETQPZSK-JTQLQIEISA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)C[C@@H]1CC[N@@H+](CC[NH3+])C1 82855320 491022857 /nfs/dbraw/zinc/02/28/57/491022857.db2.gz PMYIDYWETQPZSK-JTQLQIEISA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 20523448 491021056 /nfs/dbraw/zinc/02/10/56/491021056.db2.gz WNGVMWLXARPKIK-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 20523447 491021061 /nfs/dbraw/zinc/02/10/61/491021061.db2.gz WNGVMWLXARPKIK-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[N@H+](C)CC(C)(C)[NH2+]CC 61299663 491021306 /nfs/dbraw/zinc/02/13/06/491021306.db2.gz MHGUCTFDZCMSBW-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC 61299663 491021307 /nfs/dbraw/zinc/02/13/07/491021307.db2.gz MHGUCTFDZCMSBW-UHFFFAOYSA-N 2 1 172.316 1.716 10 0 ADAEMP CC(C)[C@H](C)C[NH2+]C1CC[NH+](C)CC1 81046689 491021514 /nfs/dbraw/zinc/02/15/14/491021514.db2.gz OQPORPNETFRLPY-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](C)CC1 81046686 491021583 /nfs/dbraw/zinc/02/15/83/491021583.db2.gz OQPORPNETFRLPY-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282339 491027458 /nfs/dbraw/zinc/02/74/58/491027458.db2.gz BHJDTWDZQKZCAJ-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282338 491027626 /nfs/dbraw/zinc/02/76/26/491027626.db2.gz BHJDTWDZQKZCAJ-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH+]1CCC([NH2+]CCCF)CC1 88024498 491032614 /nfs/dbraw/zinc/03/26/14/491032614.db2.gz HZLHKUNOHGFGPQ-UHFFFAOYSA-N 2 1 174.263 1.030 10 0 ADAEMP CCC(CC)C[NH2+]C[C@H](C)[NH2+]C 130428175 491033626 /nfs/dbraw/zinc/03/36/26/491033626.db2.gz RDHIVZFNXDNORF-VIFPVBQESA-N 2 1 172.316 1.620 10 0 ADAEMP CCC(CC)C[NH2+]C[C@@H](C)[NH2+]C 130427999 491033688 /nfs/dbraw/zinc/03/36/88/491033688.db2.gz RDHIVZFNXDNORF-SECBINFHSA-N 2 1 172.316 1.620 10 0 ADAEMP C[C@H](CC[NH3+])Nc1cc[nH+]cc1Cl 134271673 491038667 /nfs/dbraw/zinc/03/86/67/491038667.db2.gz RESKXOKELDYZJT-SSDOTTSWSA-N 2 1 199.685 1.884 10 0 ADAEMP C[C@@H](CC[NH3+])Nc1cc[nH+]cc1Cl 134271651 491038764 /nfs/dbraw/zinc/03/87/64/491038764.db2.gz RESKXOKELDYZJT-ZETCQYMHSA-N 2 1 199.685 1.884 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C)CC1 226329840 491042565 /nfs/dbraw/zinc/04/25/65/491042565.db2.gz QJHASMJLEZDHNN-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@@H]([NH2+]C)C1 227666067 491043819 /nfs/dbraw/zinc/04/38/19/491043819.db2.gz IILZFUPVTQBRHD-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@H]([NH2+]C)C1 227666067 491043820 /nfs/dbraw/zinc/04/38/20/491043820.db2.gz IILZFUPVTQBRHD-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH2+]C)C1 227666072 491043823 /nfs/dbraw/zinc/04/38/23/491043823.db2.gz IILZFUPVTQBRHD-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH2+]C)C1 227666072 491043824 /nfs/dbraw/zinc/04/38/24/491043824.db2.gz IILZFUPVTQBRHD-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 306455746 491051596 /nfs/dbraw/zinc/05/15/96/491051596.db2.gz RBOBMNNGNFFHFS-WYUUTHIRSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 306455746 491051597 /nfs/dbraw/zinc/05/15/97/491051597.db2.gz RBOBMNNGNFFHFS-WYUUTHIRSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H]2C)CC[N@@H+]1C 306455745 491051579 /nfs/dbraw/zinc/05/15/79/491051579.db2.gz RBOBMNNGNFFHFS-RHYQMDGZSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H]2C)CC[N@H+]1C 306455745 491051580 /nfs/dbraw/zinc/05/15/80/491051580.db2.gz RBOBMNNGNFFHFS-RHYQMDGZSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C)CC[N@@H+]1C 306455744 491051545 /nfs/dbraw/zinc/05/15/45/491051545.db2.gz RBOBMNNGNFFHFS-KXNHARMFSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C)CC[N@H+]1C 306455744 491051546 /nfs/dbraw/zinc/05/15/46/491051546.db2.gz RBOBMNNGNFFHFS-KXNHARMFSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 306455743 491051552 /nfs/dbraw/zinc/05/15/52/491051552.db2.gz RBOBMNNGNFFHFS-KKOKHZNYSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 306455743 491051553 /nfs/dbraw/zinc/05/15/53/491051553.db2.gz RBOBMNNGNFFHFS-KKOKHZNYSA-N 2 1 196.338 1.857 10 0 ADAEMP CC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 307145658 491058964 /nfs/dbraw/zinc/05/89/64/491058964.db2.gz NAPRDJVZZRPPKR-ZJUUUORDSA-N 2 1 193.294 1.586 10 0 ADAEMP CC(C)C[NH2+][C@H]1CCc2[nH+]ccn2C1 306986640 491057390 /nfs/dbraw/zinc/05/73/90/491057390.db2.gz PFFIKAOQXOISRA-JTQLQIEISA-N 2 1 193.294 1.444 10 0 ADAEMP CC(C)C[NH2+][C@@H]1CCc2[nH+]ccn2C1 306986641 491057392 /nfs/dbraw/zinc/05/73/92/491057392.db2.gz PFFIKAOQXOISRA-SNVBAGLBSA-N 2 1 193.294 1.444 10 0 ADAEMP CC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 307145656 491058856 /nfs/dbraw/zinc/05/88/56/491058856.db2.gz NAPRDJVZZRPPKR-UWVGGRQHSA-N 2 1 193.294 1.586 10 0 ADAEMP CC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 307145655 491058923 /nfs/dbraw/zinc/05/89/23/491058923.db2.gz NAPRDJVZZRPPKR-NXEZZACHSA-N 2 1 193.294 1.586 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 307145657 491058931 /nfs/dbraw/zinc/05/89/31/491058931.db2.gz NAPRDJVZZRPPKR-VHSXEESVSA-N 2 1 193.294 1.586 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 307516877 491063150 /nfs/dbraw/zinc/06/31/50/491063150.db2.gz TVGZWSVZASTXLF-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 307516876 491063189 /nfs/dbraw/zinc/06/31/89/491063189.db2.gz TVGZWSVZASTXLF-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]12 307516875 491063231 /nfs/dbraw/zinc/06/32/31/491063231.db2.gz TVGZWSVZASTXLF-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]12 307516874 491063274 /nfs/dbraw/zinc/06/32/74/491063274.db2.gz TVGZWSVZASTXLF-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 307698407 491068374 /nfs/dbraw/zinc/06/83/74/491068374.db2.gz MXANFYGJRXHETA-JTQLQIEISA-N 2 1 193.294 1.444 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 307698410 491068424 /nfs/dbraw/zinc/06/84/24/491068424.db2.gz MXANFYGJRXHETA-SNVBAGLBSA-N 2 1 193.294 1.444 10 0 ADAEMP CC(C)C[C@@H]1CCC[N@H+](CC[NH3+])C1 308139423 491080046 /nfs/dbraw/zinc/08/00/46/491080046.db2.gz HKHSXLCEPOASQW-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[C@@H]1CCC[N@@H+](CC[NH3+])C1 308139423 491080047 /nfs/dbraw/zinc/08/00/47/491080047.db2.gz HKHSXLCEPOASQW-NSHDSACASA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[C@H]1CCC[N@H+](CC[NH3+])C1 308139422 491080105 /nfs/dbraw/zinc/08/01/05/491080105.db2.gz HKHSXLCEPOASQW-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[C@H]1CCC[N@@H+](CC[NH3+])C1 308139422 491080106 /nfs/dbraw/zinc/08/01/06/491080106.db2.gz HKHSXLCEPOASQW-LLVKDONJSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]CC1CC1 308169416 491082366 /nfs/dbraw/zinc/08/23/66/491082366.db2.gz AUZZEYUVDYWZDY-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH+](C)C[C@H]1CC[N@@H+](CCCF)C1 308222436 491085678 /nfs/dbraw/zinc/08/56/78/491085678.db2.gz DEMVDLRMZCVDNF-SNVBAGLBSA-N 2 1 188.290 1.230 10 0 ADAEMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCF)C1 308222435 491085711 /nfs/dbraw/zinc/08/57/11/491085711.db2.gz DEMVDLRMZCVDNF-JTQLQIEISA-N 2 1 188.290 1.230 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC2(C)CC2)C1 308509098 491109382 /nfs/dbraw/zinc/10/93/82/491109382.db2.gz KAOLMNNQNKQNBP-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CC2(C)CC2)C1 308509097 491109183 /nfs/dbraw/zinc/10/91/83/491109183.db2.gz KAOLMNNQNKQNBP-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 308527843 491110357 /nfs/dbraw/zinc/11/03/57/491110357.db2.gz RAJGHJLSZGEOJI-IJLUTSLNSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 308527846 491110419 /nfs/dbraw/zinc/11/04/19/491110419.db2.gz RAJGHJLSZGEOJI-UTUOFQBUSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 308527844 491110423 /nfs/dbraw/zinc/11/04/23/491110423.db2.gz RAJGHJLSZGEOJI-QJPTWQEYSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 308527845 491110443 /nfs/dbraw/zinc/11/04/43/491110443.db2.gz RAJGHJLSZGEOJI-TUAOUCFPSA-N 2 1 196.338 1.574 10 0 ADAEMP C[N@@H+]1CC=C(C[NH2+]CC2(F)CC2)CC1 308556296 491111534 /nfs/dbraw/zinc/11/15/34/491111534.db2.gz ZMHCDENGRZQKBQ-UHFFFAOYSA-N 2 1 198.285 1.340 10 0 ADAEMP CC/C=C\CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 308582826 491112855 /nfs/dbraw/zinc/11/28/55/491112855.db2.gz HHSPLNXPTDPTLU-XVGAQQEPSA-N 2 1 194.322 1.494 10 0 ADAEMP CC/C=C/CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 308582824 491112861 /nfs/dbraw/zinc/11/28/61/491112861.db2.gz HHSPLNXPTDPTLU-ROUHBEFFSA-N 2 1 194.322 1.494 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@@]1(C)CC[NH2+]C1 389303502 491119546 /nfs/dbraw/zinc/11/95/46/491119546.db2.gz MWQMUABGDZQVCY-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@@H+](CCC1CC1)C[C@]1(C)CC[NH2+]C1 389303500 491119581 /nfs/dbraw/zinc/11/95/81/491119581.db2.gz MWQMUABGDZQVCY-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)C1CCCCC1 11822393 1188765948 /nfs/dbraw/zinc/76/59/48/1188765948.db2.gz OEDMCXIEMZOSHH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC(C)(C)[NH2+]C1CC[NH+](C)CC1 7260711 1188766529 /nfs/dbraw/zinc/76/65/29/1188766529.db2.gz QILXTDIJRXBMJK-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CC1(C)CCC[N@H+]1CCCC[NH3+] 63066096 1188773600 /nfs/dbraw/zinc/77/36/00/1188773600.db2.gz IFWZVRYIBPTBQV-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP C1C[NH2+][C@H]2CC[N@H+](CC3CC3)C[C@H]2C1 158639863 1188780212 /nfs/dbraw/zinc/78/02/12/1188780212.db2.gz MLKDWPNCWJNRHP-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[NH2+][C@H]2CC[N@H+](CC3CC3)C[C@@H]2C1 158640003 1188780459 /nfs/dbraw/zinc/78/04/59/1188780459.db2.gz MLKDWPNCWJNRHP-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP CC1CC([NH2+][C@H]2CCC[N@@H+](C)CC2)C1 161802101 1188780890 /nfs/dbraw/zinc/78/08/90/1188780890.db2.gz DGMVTMVLPJBPBW-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC1CC([NH2+][C@@H]2CCC[N@@H+](C)CC2)C1 161801984 1188780914 /nfs/dbraw/zinc/78/09/14/1188780914.db2.gz DGMVTMVLPJBPBW-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCCC2)C1 215781938 1188785837 /nfs/dbraw/zinc/78/58/37/1188785837.db2.gz IZPPPLUTLYVXQG-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@H+](C2CCCC2)C1 215781886 1188786043 /nfs/dbraw/zinc/78/60/43/1188786043.db2.gz IZPPPLUTLYVXQG-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](CC2CCCC2)CC1 215787412 1188786224 /nfs/dbraw/zinc/78/62/24/1188786224.db2.gz GUSCSRRGULGCPJ-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](CC2CCCC2)CC1 215787454 1188786234 /nfs/dbraw/zinc/78/62/34/1188786234.db2.gz GUSCSRRGULGCPJ-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 227159864 1188787631 /nfs/dbraw/zinc/78/76/31/1188787631.db2.gz PCHINULENNUKPX-RYUDHWBXSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC[C@H]2CCC[C@@H]21 227159872 1188787867 /nfs/dbraw/zinc/78/78/67/1188787867.db2.gz PCHINULENNUKPX-NEPJUHHUSA-N 2 1 196.338 1.990 10 0 ADAEMP C1CC(CC[NH2+][C@@H]2CCC[NH2+]C2)C1 229081203 1188790849 /nfs/dbraw/zinc/79/08/49/1188790849.db2.gz QWXRINGLVRHWPI-LLVKDONJSA-N 2 1 182.311 1.518 10 0 ADAEMP C1CC(CC[NH2+][C@H]2CCC[NH2+]C2)C1 229081216 1188790996 /nfs/dbraw/zinc/79/09/96/1188790996.db2.gz QWXRINGLVRHWPI-NSHDSACASA-N 2 1 182.311 1.518 10 0 ADAEMP COC(C)(C)CC[N@H+](C)C[C@H](C)[NH3+] 231052319 1188792458 /nfs/dbraw/zinc/79/24/58/1188792458.db2.gz SGESZQLCCUOOOU-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP COC(C)(C)CC[N@@H+](C)C[C@H](C)[NH3+] 231052319 1188792463 /nfs/dbraw/zinc/79/24/63/1188792463.db2.gz SGESZQLCCUOOOU-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP C[C@@]1(F)CCC[N@H+](CC[NH3+])CC1 258064900 1188795906 /nfs/dbraw/zinc/79/59/06/1188795906.db2.gz LAHHGZVSWURZIF-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@@]1(F)CCC[N@@H+](CC[NH3+])CC1 258064900 1188795908 /nfs/dbraw/zinc/79/59/08/1188795908.db2.gz LAHHGZVSWURZIF-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@]1(F)CCC[N@H+](CC[NH3+])CC1 258064902 1188795946 /nfs/dbraw/zinc/79/59/46/1188795946.db2.gz LAHHGZVSWURZIF-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@]1(F)CCC[N@@H+](CC[NH3+])CC1 258064902 1188795949 /nfs/dbraw/zinc/79/59/49/1188795949.db2.gz LAHHGZVSWURZIF-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 306293449 1188797657 /nfs/dbraw/zinc/79/76/57/1188797657.db2.gz WTBDSSYTTJOKCP-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 306293451 1188797714 /nfs/dbraw/zinc/79/77/14/1188797714.db2.gz WTBDSSYTTJOKCP-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 306293450 1188797733 /nfs/dbraw/zinc/79/77/33/1188797733.db2.gz WTBDSSYTTJOKCP-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 306293452 1188797814 /nfs/dbraw/zinc/79/78/14/1188797814.db2.gz WTBDSSYTTJOKCP-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH+]1CCC([NH2+][C@H]2C[C@H]2C2CC2)CC1 306505384 1188798844 /nfs/dbraw/zinc/79/88/44/1188798844.db2.gz FLPNYZIXYDVQAY-RYUDHWBXSA-N 2 1 194.322 1.469 10 0 ADAEMP C[NH+]1CCC([NH2+][C@@H]2C[C@H]2C2CC2)CC1 306505383 1188798909 /nfs/dbraw/zinc/79/89/09/1188798909.db2.gz FLPNYZIXYDVQAY-NWDGAFQWSA-N 2 1 194.322 1.469 10 0 ADAEMP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C2CC2)CC1 306505562 1188798974 /nfs/dbraw/zinc/79/89/74/1188798974.db2.gz FLPNYZIXYDVQAY-VXGBXAGGSA-N 2 1 194.322 1.469 10 0 ADAEMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]2C2CC2)CC1 306505382 1188799134 /nfs/dbraw/zinc/79/91/34/1188799134.db2.gz FLPNYZIXYDVQAY-NEPJUHHUSA-N 2 1 194.322 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 307043261 1188804264 /nfs/dbraw/zinc/80/42/64/1188804264.db2.gz USJLAFOTCYDPCZ-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 307043262 1188804489 /nfs/dbraw/zinc/80/44/89/1188804489.db2.gz USJLAFOTCYDPCZ-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 307043258 1188804728 /nfs/dbraw/zinc/80/47/28/1188804728.db2.gz USJLAFOTCYDPCZ-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 307043259 1188804756 /nfs/dbraw/zinc/80/47/56/1188804756.db2.gz USJLAFOTCYDPCZ-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH+]1CCC([NH2+]CCC(F)F)CC1 308413560 1188812084 /nfs/dbraw/zinc/81/20/84/1188812084.db2.gz PPCMUXFFWPSASL-UHFFFAOYSA-N 2 1 192.253 1.325 10 0 ADAEMP CCCC[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])C1 379333909 1188815965 /nfs/dbraw/zinc/81/59/65/1188815965.db2.gz QCCPPARPYKEDMX-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[C@H](CC)[N@H+]1CC[C@@H]([NH3+])C1 379333909 1188815969 /nfs/dbraw/zinc/81/59/69/1188815969.db2.gz QCCPPARPYKEDMX-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])C1 379333908 1188816749 /nfs/dbraw/zinc/81/67/49/1188816749.db2.gz QCCPPARPYKEDMX-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CCCC[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])C1 379333908 1188816753 /nfs/dbraw/zinc/81/67/53/1188816753.db2.gz QCCPPARPYKEDMX-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC2(CCCC2)C1 393663144 1188822245 /nfs/dbraw/zinc/82/22/45/1188822245.db2.gz ZHRMAZOVQGYKNR-UHFFFAOYSA-N 2 1 196.338 1.991 10 0 ADAEMP CC1([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 1334390785 1188836776 /nfs/dbraw/zinc/83/67/76/1188836776.db2.gz OVJMFRNDOLQFGZ-VIFPVBQESA-N 2 1 180.295 1.413 10 0 ADAEMP CC1([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 1334390779 1188836877 /nfs/dbraw/zinc/83/68/77/1188836877.db2.gz OVJMFRNDOLQFGZ-SECBINFHSA-N 2 1 180.295 1.413 10 0 ADAEMP C[NH+]1CCC(C[N@@H+]2CC=CCC2)CC1 1335480943 1188837630 /nfs/dbraw/zinc/83/76/30/1188837630.db2.gz DIIIMPSSLJSKMN-UHFFFAOYSA-N 2 1 194.322 1.590 10 0 ADAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC1 127524517 697641308 /nfs/dbraw/zinc/64/13/08/697641308.db2.gz MGMCBFMFZBMLLR-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133093551 697642495 /nfs/dbraw/zinc/64/24/95/697642495.db2.gz NMXRXSXCEXDCIJ-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 133093766 697642590 /nfs/dbraw/zinc/64/25/90/697642590.db2.gz NMXRXSXCEXDCIJ-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 133081130 697642712 /nfs/dbraw/zinc/64/27/12/697642712.db2.gz BEAVIJPJILEVAA-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 166348370 697672403 /nfs/dbraw/zinc/67/24/03/697672403.db2.gz ATBMQOGADJQSJK-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCC[NH2+]C1 211415406 697682795 /nfs/dbraw/zinc/68/27/95/697682795.db2.gz ZWSYLLLPFDLGIU-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](C)C1 223929557 697687365 /nfs/dbraw/zinc/68/73/65/697687365.db2.gz HAFABPFIVQCJGC-UTUOFQBUSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1C 223929352 697687580 /nfs/dbraw/zinc/68/75/80/697687580.db2.gz XHNNQGOANZOZPJ-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 227767360 697698316 /nfs/dbraw/zinc/69/83/16/697698316.db2.gz BEAVIJPJILEVAA-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CSC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 229085180 697700574 /nfs/dbraw/zinc/70/05/74/697700574.db2.gz OYXHVZCGGMGYAP-MRVPVSSYSA-N 2 1 188.340 1.080 10 0 ADAEMP CSC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 229085192 697700803 /nfs/dbraw/zinc/70/08/03/697700803.db2.gz OYXHVZCGGMGYAP-QMMMGPOBSA-N 2 1 188.340 1.080 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C 233991303 697706290 /nfs/dbraw/zinc/70/62/90/697706290.db2.gz CEISZUHGDAMUEB-WOPDTQHZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C(C)(C)C 235142537 697706893 /nfs/dbraw/zinc/70/68/93/697706893.db2.gz HCMACSRLNWWJIE-YUMQZZPRSA-N 2 1 158.289 1.358 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 234123474 697706960 /nfs/dbraw/zinc/70/69/60/697706960.db2.gz ZAXPHMMUIBLUOU-WOPDTQHZSA-N 2 1 196.338 1.574 10 0 ADAEMP C1CC[N@H+]2C[C@H]([NH2+]C3CC3)C[C@H]2C1 250881313 697711521 /nfs/dbraw/zinc/71/15/21/697711521.db2.gz VLJGFGHWEZANEY-GHMZBOCLSA-N 2 1 180.295 1.365 10 0 ADAEMP C[NH2+]CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 378747308 697785912 /nfs/dbraw/zinc/78/59/12/697785912.db2.gz IVXMUXKVHAUEJP-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2C)C1 379539725 697899019 /nfs/dbraw/zinc/89/90/19/697899019.db2.gz NZTGNPRPYQKEQN-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H]2C)C1 379539726 697898665 /nfs/dbraw/zinc/89/86/65/697898665.db2.gz NZTGNPRPYQKEQN-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H]2C)C1 379539727 697898832 /nfs/dbraw/zinc/89/88/32/697898832.db2.gz NZTGNPRPYQKEQN-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]2C)C1 379539724 697898846 /nfs/dbraw/zinc/89/88/46/697898846.db2.gz NZTGNPRPYQKEQN-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C[NH2+]Cc1ccoc1)C[NH+](C)C 379628920 697906435 /nfs/dbraw/zinc/90/64/35/697906435.db2.gz LUCKVYGQYSKDKQ-JTQLQIEISA-N 2 1 196.294 1.567 10 0 ADAEMP C[C@H](C[NH2+]Cc1ccoc1)C[NH+](C)C 379628922 697906808 /nfs/dbraw/zinc/90/68/08/697906808.db2.gz LUCKVYGQYSKDKQ-SNVBAGLBSA-N 2 1 196.294 1.567 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@@H]1C 380654099 697912461 /nfs/dbraw/zinc/91/24/61/697912461.db2.gz BNSIPURTOINIHL-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)[C@@H]1C 380654116 697912513 /nfs/dbraw/zinc/91/25/13/697912513.db2.gz BNSIPURTOINIHL-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1CCC[NH2+]C1CC1 380654105 697912528 /nfs/dbraw/zinc/91/25/28/697912528.db2.gz BNSIPURTOINIHL-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C/C=C\C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 384989319 697932713 /nfs/dbraw/zinc/93/27/13/697932713.db2.gz KKICZHYCEQKVHS-LCNZBXASSA-N 2 1 194.322 1.777 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385374037 697933909 /nfs/dbraw/zinc/93/39/09/697933909.db2.gz LTSIPHCEXGQROT-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385374037 697933914 /nfs/dbraw/zinc/93/39/14/697933914.db2.gz LTSIPHCEXGQROT-TUAOUCFPSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385374040 697934068 /nfs/dbraw/zinc/93/40/68/697934068.db2.gz LTSIPHCEXGQROT-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385374040 697934071 /nfs/dbraw/zinc/93/40/71/697934071.db2.gz LTSIPHCEXGQROT-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCCC[N@H+]1C[C@H](N)C(C)(C)C1 388212774 697945180 /nfs/dbraw/zinc/94/51/80/697945180.db2.gz GNVMXGLXKRVQIM-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 388212774 697945184 /nfs/dbraw/zinc/94/51/84/697945184.db2.gz GNVMXGLXKRVQIM-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCC[N@H+]1C[C@@H](N)C(C)(C)C1 388212775 697945309 /nfs/dbraw/zinc/94/53/09/697945309.db2.gz GNVMXGLXKRVQIM-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 388212775 697945316 /nfs/dbraw/zinc/94/53/16/697945316.db2.gz GNVMXGLXKRVQIM-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCC1CC1 394459937 698030736 /nfs/dbraw/zinc/03/07/36/698030736.db2.gz UDTLYVCSLSPAPJ-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCF 396561278 698036394 /nfs/dbraw/zinc/03/63/94/698036394.db2.gz KGEKBLFOWQDVQH-VHSXEESVSA-N 2 1 188.290 1.466 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCF 396561274 698036509 /nfs/dbraw/zinc/03/65/09/698036509.db2.gz KGEKBLFOWQDVQH-UWVGGRQHSA-N 2 1 188.290 1.466 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCF 396561272 698036585 /nfs/dbraw/zinc/03/65/85/698036585.db2.gz KGEKBLFOWQDVQH-NXEZZACHSA-N 2 1 188.290 1.466 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCF 396561279 698036626 /nfs/dbraw/zinc/03/66/26/698036626.db2.gz KGEKBLFOWQDVQH-ZJUUUORDSA-N 2 1 188.290 1.466 10 0 ADAEMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 708174201 698057107 /nfs/dbraw/zinc/05/71/07/698057107.db2.gz SKIYOIVQQRQUKH-GMTAPVOTSA-N 2 1 184.327 1.559 10 0 ADAEMP C1CC[C@H]2[C@@H](C1)C[C@H]2[NH2+][C@@H]1CC[NH2+]C1 712370753 698058520 /nfs/dbraw/zinc/05/85/20/698058520.db2.gz AGJHTPZGLRRVQM-WHOHXGKFSA-N 2 1 194.322 1.517 10 0 ADAEMP C1CC[C@H]2[C@@H](C1)C[C@H]2[NH2+][C@H]1CC[NH2+]C1 712370744 698058595 /nfs/dbraw/zinc/05/85/95/698058595.db2.gz AGJHTPZGLRRVQM-FIQHERPVSA-N 2 1 194.322 1.517 10 0 ADAEMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 720854224 698068565 /nfs/dbraw/zinc/06/85/65/698068565.db2.gz FBMOYMGRJXQGSY-GRYCIOLGSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 720773790 698067472 /nfs/dbraw/zinc/06/74/72/698067472.db2.gz HUVFKTBIFJQHSQ-OPRDCNLKSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 720773787 698067244 /nfs/dbraw/zinc/06/72/44/698067244.db2.gz HUVFKTBIFJQHSQ-BBBLOLIVSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 720773787 698067248 /nfs/dbraw/zinc/06/72/48/698067248.db2.gz HUVFKTBIFJQHSQ-BBBLOLIVSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 720773790 698067478 /nfs/dbraw/zinc/06/74/78/698067478.db2.gz HUVFKTBIFJQHSQ-OPRDCNLKSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 720773792 698067618 /nfs/dbraw/zinc/06/76/18/698067618.db2.gz HUVFKTBIFJQHSQ-UTLUCORTSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 720773792 698067621 /nfs/dbraw/zinc/06/76/21/698067621.db2.gz HUVFKTBIFJQHSQ-UTLUCORTSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 720773789 698067889 /nfs/dbraw/zinc/06/78/89/698067889.db2.gz HUVFKTBIFJQHSQ-KXUCPTDWSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 720773789 698067892 /nfs/dbraw/zinc/06/78/92/698067892.db2.gz HUVFKTBIFJQHSQ-KXUCPTDWSA-N 2 1 182.311 1.312 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 720848958 698068198 /nfs/dbraw/zinc/06/81/98/698068198.db2.gz HDDKEPQSYWUAAS-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720901394 698068452 /nfs/dbraw/zinc/06/84/52/698068452.db2.gz BSYMSNMPPJSHKN-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 720901394 698068458 /nfs/dbraw/zinc/06/84/58/698068458.db2.gz BSYMSNMPPJSHKN-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720901396 698068483 /nfs/dbraw/zinc/06/84/83/698068483.db2.gz BSYMSNMPPJSHKN-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 720901396 698068488 /nfs/dbraw/zinc/06/84/88/698068488.db2.gz BSYMSNMPPJSHKN-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720901399 698068541 /nfs/dbraw/zinc/06/85/41/698068541.db2.gz BSYMSNMPPJSHKN-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 720901399 698068545 /nfs/dbraw/zinc/06/85/45/698068545.db2.gz BSYMSNMPPJSHKN-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720901401 698068572 /nfs/dbraw/zinc/06/85/72/698068572.db2.gz BSYMSNMPPJSHKN-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 720901401 698068577 /nfs/dbraw/zinc/06/85/77/698068577.db2.gz BSYMSNMPPJSHKN-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 723085555 698072275 /nfs/dbraw/zinc/07/22/75/698072275.db2.gz BZPUJIDGQFMGFR-WISYIIOYSA-N 2 1 196.338 1.559 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1CC2CC1(C[NH3+])C2 723086276 698072589 /nfs/dbraw/zinc/07/25/89/698072589.db2.gz FTLBFGZMBXOBEN-UPOSSJBDSA-N 2 1 194.322 1.456 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 723114708 698073463 /nfs/dbraw/zinc/07/34/63/698073463.db2.gz FUZWXITZROZGFG-VLEAKVRGSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 723105637 698073551 /nfs/dbraw/zinc/07/35/51/698073551.db2.gz GLWPFGHAQWEREI-OUAUKWLOSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 723105637 698073558 /nfs/dbraw/zinc/07/35/58/698073558.db2.gz GLWPFGHAQWEREI-OUAUKWLOSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723884207 698074354 /nfs/dbraw/zinc/07/43/54/698074354.db2.gz RHJYFPKBIJUXTC-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@H]1CC[NH3+] 723916626 698074371 /nfs/dbraw/zinc/07/43/71/698074371.db2.gz YRYNOMBVEGZQIJ-GHMZBOCLSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723882159 698074454 /nfs/dbraw/zinc/07/44/54/698074454.db2.gz FYNDUKXNMTVQOG-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723899878 698074470 /nfs/dbraw/zinc/07/44/70/698074470.db2.gz HJVDWRFMTBLOTF-GRYCIOLGSA-N 2 1 198.354 1.948 10 0 ADAEMP C=C/C=C/CC[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 723866695 698074476 /nfs/dbraw/zinc/07/44/76/698074476.db2.gz PBNAOBZKKNDDAF-GKUNOOHESA-N 2 1 194.322 1.645 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723926262 698074494 /nfs/dbraw/zinc/07/44/94/698074494.db2.gz HJVDWRFMTBLOTF-IJLUTSLNSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1CC[NH3+] 723891777 698074533 /nfs/dbraw/zinc/07/45/33/698074533.db2.gz NOTJTIGRPCWKSG-KKOKHZNYSA-N 2 1 196.338 1.559 10 0 ADAEMP C=C/C=C\CC[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 723866696 698074618 /nfs/dbraw/zinc/07/46/18/698074618.db2.gz PBNAOBZKKNDDAF-XLMCQVRKSA-N 2 1 194.322 1.645 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@H]1CC[NH3+] 723922407 698074668 /nfs/dbraw/zinc/07/46/68/698074668.db2.gz NOTJTIGRPCWKSG-DDHJBXDOSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@H]1CC[NH3+] 723891778 698074708 /nfs/dbraw/zinc/07/47/08/698074708.db2.gz NOTJTIGRPCWKSG-QCNOEVLYSA-N 2 1 196.338 1.559 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723884208 698074735 /nfs/dbraw/zinc/07/47/35/698074735.db2.gz RHJYFPKBIJUXTC-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723894853 698074763 /nfs/dbraw/zinc/07/47/63/698074763.db2.gz PMTQYTJGDHTSKG-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]2C)C[C@H]1CC[NH3+] 723922409 698074773 /nfs/dbraw/zinc/07/47/73/698074773.db2.gz NOTJTIGRPCWKSG-IRCOFANPSA-N 2 1 196.338 1.559 10 0 ADAEMP CC[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723893798 698074789 /nfs/dbraw/zinc/07/47/89/698074789.db2.gz DZEKGGNHVLTOMY-IJLUTSLNSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723881908 698074828 /nfs/dbraw/zinc/07/48/28/698074828.db2.gz DHHIUAPIXOJNCT-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723881629 698074837 /nfs/dbraw/zinc/07/48/37/698074837.db2.gz BUZHEWJFUKOXNL-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723893799 698074853 /nfs/dbraw/zinc/07/48/53/698074853.db2.gz DZEKGGNHVLTOMY-QJPTWQEYSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 854221621 698129236 /nfs/dbraw/zinc/12/92/36/698129236.db2.gz QOKLLHNMZQITNW-HBNTYKKESA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 854221620 698129463 /nfs/dbraw/zinc/12/94/63/698129463.db2.gz QOKLLHNMZQITNW-AXFHLTTASA-N 2 1 182.311 1.373 10 0 ADAEMP FCCC[NH2+][C@H]1C[N@H+]2CCC[C@H]1C2 925555859 698174306 /nfs/dbraw/zinc/17/43/06/698174306.db2.gz ICHHBTDGWPDWAO-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP FCCC[NH2+][C@H]1C[N@@H+]2CCC[C@H]1C2 925555859 698174309 /nfs/dbraw/zinc/17/43/09/698174309.db2.gz ICHHBTDGWPDWAO-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@@H](F)CC[NH2+][C@H]1CC[NH2+]C1(C)C 925677181 698174329 /nfs/dbraw/zinc/17/43/29/698174329.db2.gz OPVVESJDURARPY-BDAKNGLRSA-N 2 1 188.290 1.465 10 0 ADAEMP C[C@H](F)CC[NH2+][C@@H]1CC[NH2+]C1(C)C 925677182 698174375 /nfs/dbraw/zinc/17/43/75/698174375.db2.gz OPVVESJDURARPY-DTWKUNHWSA-N 2 1 188.290 1.465 10 0 ADAEMP C[C@@H](F)CC[NH2+][C@@H]1CC[NH2+]C1(C)C 925677185 698174465 /nfs/dbraw/zinc/17/44/65/698174465.db2.gz OPVVESJDURARPY-RKDXNWHRSA-N 2 1 188.290 1.465 10 0 ADAEMP C[C@H](F)CC[NH2+][C@H]1CC[NH2+]C1(C)C 925677184 698174490 /nfs/dbraw/zinc/17/44/90/698174490.db2.gz OPVVESJDURARPY-IUCAKERBSA-N 2 1 188.290 1.465 10 0 ADAEMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@@H]1CC12CC2 925702257 698175151 /nfs/dbraw/zinc/17/51/51/698175151.db2.gz BQMOLDMLXJKXDG-NXEZZACHSA-N 2 1 192.306 1.413 10 0 ADAEMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@H]1CC12CC2 925702258 698175180 /nfs/dbraw/zinc/17/51/80/698175180.db2.gz BQMOLDMLXJKXDG-UWVGGRQHSA-N 2 1 192.306 1.413 10 0 ADAEMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+][C@H]1CC12CC2 925702260 698175225 /nfs/dbraw/zinc/17/52/25/698175225.db2.gz BQMOLDMLXJKXDG-ZJUUUORDSA-N 2 1 192.306 1.413 10 0 ADAEMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+][C@@H]1CC12CC2 925702259 698175233 /nfs/dbraw/zinc/17/52/33/698175233.db2.gz BQMOLDMLXJKXDG-VHSXEESVSA-N 2 1 192.306 1.413 10 0 ADAEMP CC[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 933732165 698184615 /nfs/dbraw/zinc/18/46/15/698184615.db2.gz LCJHMIQXTPYRGH-GRYCIOLGSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 933732165 698184617 /nfs/dbraw/zinc/18/46/17/698184617.db2.gz LCJHMIQXTPYRGH-GRYCIOLGSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 933732165 698184619 /nfs/dbraw/zinc/18/46/19/698184619.db2.gz LCJHMIQXTPYRGH-GRYCIOLGSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 933732165 698184622 /nfs/dbraw/zinc/18/46/22/698184622.db2.gz LCJHMIQXTPYRGH-GRYCIOLGSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 933732166 698184780 /nfs/dbraw/zinc/18/47/80/698184780.db2.gz LCJHMIQXTPYRGH-SDDRHHMPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 933732166 698184781 /nfs/dbraw/zinc/18/47/81/698184781.db2.gz LCJHMIQXTPYRGH-SDDRHHMPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 933732166 698184784 /nfs/dbraw/zinc/18/47/84/698184784.db2.gz LCJHMIQXTPYRGH-SDDRHHMPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 933732166 698184785 /nfs/dbraw/zinc/18/47/85/698184785.db2.gz LCJHMIQXTPYRGH-SDDRHHMPSA-N 2 1 196.338 1.668 10 0 ADAEMP C[C@H](c1ccco1)[NH+]1CCC([NH3+])CC1 20521477 343073926 /nfs/dbraw/zinc/07/39/26/343073926.db2.gz DCWVEGUPKKKFCS-SECBINFHSA-N 2 1 194.278 1.764 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cccnc1 22048584 343077946 /nfs/dbraw/zinc/07/79/46/343077946.db2.gz IUMCSWXAFXSTAI-GXSJLCMTSA-N 2 1 191.278 1.033 10 0 in-vitro ADAEMP CC[C@@H]([NH3+])[C@H](C)n1cc[nH+]c1C 22564568 343081906 /nfs/dbraw/zinc/08/19/06/343081906.db2.gz HNSNIJPYQJNTJX-IONNQARKSA-N 2 1 167.256 1.490 10 0 ADAEMP C[C@H]1CCC[N@H+]([C@@H](C)CC[NH3+])C1 32006591 343095751 /nfs/dbraw/zinc/09/57/51/343095751.db2.gz TZKXBNIAYJIQLO-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[NH+]1CCCC1 34491469 343120327 /nfs/dbraw/zinc/12/03/27/343120327.db2.gz NDUDLSYFHAGEOE-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@@H+](C)CCC1CC[NH2+]CC1 34972529 343126787 /nfs/dbraw/zinc/12/67/87/343126787.db2.gz JKZPRCKKDZHIAK-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 36169804 343141101 /nfs/dbraw/zinc/14/11/01/343141101.db2.gz GWDANJNYJAQDQR-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 36169805 343141109 /nfs/dbraw/zinc/14/11/09/343141109.db2.gz GWDANJNYJAQDQR-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 37168948 343161433 /nfs/dbraw/zinc/16/14/33/343161433.db2.gz VYAGDOQCDQNFBL-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37159248 343161648 /nfs/dbraw/zinc/16/16/48/343161648.db2.gz IUZNJUSOBCVBJT-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 37157454 343161680 /nfs/dbraw/zinc/16/16/80/343161680.db2.gz PBADDIXPGQOSCE-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] 37157456 343161692 /nfs/dbraw/zinc/16/16/92/343161692.db2.gz TYGKHQIMSGVOLN-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 37169053 343161740 /nfs/dbraw/zinc/16/17/40/343161740.db2.gz SJDGUWRWTCZMSL-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 37169053 343161741 /nfs/dbraw/zinc/16/17/41/343161741.db2.gz SJDGUWRWTCZMSL-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 37168424 343161746 /nfs/dbraw/zinc/16/17/46/343161746.db2.gz XEEMRWCZLCRVFS-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 37168424 343161747 /nfs/dbraw/zinc/16/17/47/343161747.db2.gz XEEMRWCZLCRVFS-GHMZBOCLSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)C2CC2)C1 37081079 343158500 /nfs/dbraw/zinc/15/85/00/343158500.db2.gz GGWSTQCEXJHCQY-YUSALJHKSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCC[C@@H]1C 37910080 343180553 /nfs/dbraw/zinc/18/05/53/343180553.db2.gz NJNVZNZRLCYXEP-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+]1[C@H]2CCC[C@@H]1C[NH2+]CC2 38343401 343187765 /nfs/dbraw/zinc/18/77/65/343187765.db2.gz DOVYTTBYZNUSOX-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+]1[C@H]2CCC[C@@H]1CC([NH3+])C2 38343296 343187825 /nfs/dbraw/zinc/18/78/25/343187825.db2.gz IKEBMOCCIOXNPN-FGWVZKOKSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC[N@H+]1[C@@H]2CC[NH2+]C[C@H]1CC2 38343408 343187831 /nfs/dbraw/zinc/18/78/31/343187831.db2.gz YUDGBPSOMNPOHG-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 38343300 343187838 /nfs/dbraw/zinc/18/78/38/343187838.db2.gz KQOCDDJJHIAYSU-PBINXNQUSA-N 2 1 168.284 1.351 10 0 ADAEMP CC(C)[N@H+]1[C@H]2CCC[C@@H]1C[NH2+]CC2 38343400 343187856 /nfs/dbraw/zinc/18/78/56/343187856.db2.gz CAAFNHNVDVMPLO-WDEREUQCSA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@H+]1CCC[C@H](Nc2cc[nH+]cc2)C1 40673563 343220890 /nfs/dbraw/zinc/22/08/90/343220890.db2.gz LRUMMSPWWMWNOJ-NSHDSACASA-N 2 1 191.278 1.588 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CCC([NH3+])CC2)C1 40725355 343222257 /nfs/dbraw/zinc/22/22/57/343222257.db2.gz MOXXDLQQOCIPIQ-UNXYVOJBSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2([NH3+])CCCCC2)C1 40725308 343222444 /nfs/dbraw/zinc/22/24/44/343222444.db2.gz URCYBABXZCTCOK-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2([NH3+])CCCC2)C1 40725339 343222454 /nfs/dbraw/zinc/22/24/54/343222454.db2.gz UHHFYKDWFNYBTB-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2[NH3+])C1 42372048 343241169 /nfs/dbraw/zinc/24/11/69/343241169.db2.gz UKNPISGILUFJRN-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@@H]1[NH3+] 42419733 343241985 /nfs/dbraw/zinc/24/19/85/343241985.db2.gz NCQVVAPTTFYEEA-DTWKUNHWSA-N 2 1 179.267 1.498 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@H]1[NH3+] 42419736 343242065 /nfs/dbraw/zinc/24/20/65/343242065.db2.gz NCQVVAPTTFYEEA-BDAKNGLRSA-N 2 1 179.267 1.498 10 0 ADAEMP CCc1[nH+]ccn1CC[NH2+]C(C)C 42420137 343242219 /nfs/dbraw/zinc/24/22/19/343242219.db2.gz YWWOYEZUTZHJQI-UHFFFAOYSA-N 2 1 181.283 1.444 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@@H]1[NH3+] 42419734 343242324 /nfs/dbraw/zinc/24/23/24/343242324.db2.gz NCQVVAPTTFYEEA-IUCAKERBSA-N 2 1 179.267 1.498 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 42427357 343242772 /nfs/dbraw/zinc/24/27/72/343242772.db2.gz QZQADMYZCBMZKL-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)C(N)=[NH2+])C1 43524546 343254407 /nfs/dbraw/zinc/25/44/07/343254407.db2.gz XHIKHGYMUOOUOE-YIZRAAEISA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)C(N)=[NH2+])C1 43524546 343254410 /nfs/dbraw/zinc/25/44/10/343254410.db2.gz XHIKHGYMUOOUOE-YIZRAAEISA-N 2 1 183.299 1.289 10 0 ADAEMP CC[NH2+][C@H](C)C[NH+](CC)CC 43809297 343259985 /nfs/dbraw/zinc/25/99/85/343259985.db2.gz SXIRUGFELHYCEU-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP C1CC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)C1 44481696 343266794 /nfs/dbraw/zinc/26/67/94/343266794.db2.gz VMTXQDNGEWLAEO-WDEREUQCSA-N 2 1 180.295 1.365 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 44527581 343267301 /nfs/dbraw/zinc/26/73/01/343267301.db2.gz HHUUALDTEQECHJ-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[NH2+]CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 44380362 343264695 /nfs/dbraw/zinc/26/46/95/343264695.db2.gz HNVFMLWGTKRNMC-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]C1(C[NH3+])CCC(C)CC1 50269763 343280668 /nfs/dbraw/zinc/28/06/68/343280668.db2.gz CZJGHQCMMOVGBR-UHFFFAOYSA-N 2 1 156.273 1.113 10 0 ADAEMP Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)o1 50245289 343280697 /nfs/dbraw/zinc/28/06/97/343280697.db2.gz QKZGXHTWEBBFSQ-SNVBAGLBSA-N 2 1 194.278 1.369 10 0 ADAEMP C[NH2+]C1(C[NH3+])CCCCCCC1 50269935 343280712 /nfs/dbraw/zinc/28/07/12/343280712.db2.gz PCSGDUFBKVPCGG-UHFFFAOYSA-N 2 1 170.300 1.648 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@H](C)C1 50270731 343280720 /nfs/dbraw/zinc/28/07/20/343280720.db2.gz LBWPVSRJRLSTLJ-WDEREUQCSA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@@H](C)C1 50270730 343280522 /nfs/dbraw/zinc/28/05/22/343280522.db2.gz LBWPVSRJRLSTLJ-GHMZBOCLSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]C1CC1 50271080 343280618 /nfs/dbraw/zinc/28/06/18/343280618.db2.gz GGAVWBTZHPBLHG-ONGXEEELSA-N 2 1 182.311 1.646 10 0 ADAEMP CC1CCC(C[NH3+])([NH2+]C2CC2)CC1 50271092 343280644 /nfs/dbraw/zinc/28/06/44/343280644.db2.gz RTZHXLNYOSXFOM-UHFFFAOYSA-N 2 1 182.311 1.646 10 0 ADAEMP C[NH2+]C1(C[NH3+])CCCCCC1 50269764 343280665 /nfs/dbraw/zinc/28/06/65/343280665.db2.gz RAJYWWBKBHNYLS-UHFFFAOYSA-N 2 1 156.273 1.258 10 0 ADAEMP C[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)[C@@H]1C 50564941 343284308 /nfs/dbraw/zinc/28/43/08/343284308.db2.gz RUURRMMCDZBDMI-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51217325 343289552 /nfs/dbraw/zinc/28/95/52/343289552.db2.gz JQXGOBPTIVEMDO-JTQLQIEISA-N 2 1 186.343 1.948 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51217324 343289618 /nfs/dbraw/zinc/28/96/18/343289618.db2.gz JQXGOBPTIVEMDO-SNVBAGLBSA-N 2 1 186.343 1.948 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CC[C@H](C)C[C@@H]1C 51732497 343292904 /nfs/dbraw/zinc/29/29/04/343292904.db2.gz LDMORKIKHKFENO-LPEHRKFASA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CC[C@H](C)C[C@@H]1C 51732497 343292905 /nfs/dbraw/zinc/29/29/05/343292905.db2.gz LDMORKIKHKFENO-LPEHRKFASA-N 2 1 197.326 1.821 10 0 ADAEMP Cc1ccc[nH+]c1NC1CC([NH3+])C1 51041252 343288321 /nfs/dbraw/zinc/28/83/21/343288321.db2.gz LVAFSTKIMIUCPV-UHFFFAOYSA-N 2 1 177.251 1.292 10 0 ADAEMP C[C@H]1C[C@H]1[NH2+]C1CC[NH+](C)CC1 52269682 343303042 /nfs/dbraw/zinc/30/30/42/343303042.db2.gz QKWBVUNCEDTMGT-WCBMZHEXSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H]1C[C@H]1C 52289038 343304202 /nfs/dbraw/zinc/30/42/02/343304202.db2.gz WMDJAYJCFXKSQL-KATARQTJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[C@H]1[N@H+]1CC[NH2+][C@H](C)CC1 52298978 343305333 /nfs/dbraw/zinc/30/53/33/343305333.db2.gz RUOWRCVSSDBPQN-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[C@H]1[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 52289005 343304084 /nfs/dbraw/zinc/30/40/84/343304084.db2.gz QOQFFBKDFXVWNW-QCLAVDOMSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2C)CC[C@@H]1[NH3+] 52289003 343304121 /nfs/dbraw/zinc/30/41/21/343304121.db2.gz QOQFFBKDFXVWNW-DOLQZWNJSA-N 2 1 168.284 1.064 10 0 ADAEMP Cc1[nH+]cn([C@@H](C[NH3+])C(C)C)c1C 52593581 343306652 /nfs/dbraw/zinc/30/66/52/343306652.db2.gz ZBGFLQBDBCLIRI-JTQLQIEISA-N 2 1 181.283 1.656 10 0 ADAEMP CC(C)[N@@H+](C)Cc1cc[nH+]c(NN)c1 52723729 343306664 /nfs/dbraw/zinc/30/66/64/343306664.db2.gz WBFZEZOKYRXKSJ-UHFFFAOYSA-N 2 1 194.282 1.207 10 0 ADAEMP Cc1[nH+]cn([C@H](C[NH3+])C(C)C)c1C 52593582 343306672 /nfs/dbraw/zinc/30/66/72/343306672.db2.gz ZBGFLQBDBCLIRI-SNVBAGLBSA-N 2 1 181.283 1.656 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 53010343 343312169 /nfs/dbraw/zinc/31/21/69/343312169.db2.gz AIHZUMVHFPHQAK-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C[NH3+])C(C)C 52576123 343306621 /nfs/dbraw/zinc/30/66/21/343306621.db2.gz ZJZJBANIAJGLFZ-SECBINFHSA-N 2 1 167.256 1.347 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CC1 53255646 343313586 /nfs/dbraw/zinc/31/35/86/343313586.db2.gz ILRFUBQDRBDUMZ-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 54243935 343321054 /nfs/dbraw/zinc/32/10/54/343321054.db2.gz ADSDNODLUOOVLU-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 53860052 343316568 /nfs/dbraw/zinc/31/65/68/343316568.db2.gz ROKILCFSWBIONX-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CCCC[NH2+]C1 54134823 343317914 /nfs/dbraw/zinc/31/79/14/343317914.db2.gz UDTIVMBDRHKWKD-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+](C)[C@H]1CCCC[NH2+]C1 54135005 343318089 /nfs/dbraw/zinc/31/80/89/343318089.db2.gz NHCQIFKIKUMSFX-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[N@H+](C1CCC([NH3+])CC1)C1CC1 55144301 343334123 /nfs/dbraw/zinc/33/41/23/343334123.db2.gz WQTBPPJUOQQYKZ-UHFFFAOYSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 55144322 343334285 /nfs/dbraw/zinc/33/42/85/343334285.db2.gz JQCFYAYMJIEVPP-WHXUTIOJSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C1CCC([NH3+])CC1 55144374 343334304 /nfs/dbraw/zinc/33/43/04/343334304.db2.gz RQULATPPSFKUMY-OIKLOGQESA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccccc1 57402530 343337226 /nfs/dbraw/zinc/33/72/26/343337226.db2.gz BNCCJZLUVUSXKB-LLVKDONJSA-N 2 1 192.306 1.713 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CC2(C[NH3+])CC2)C1 58082656 343338955 /nfs/dbraw/zinc/33/89/55/343338955.db2.gz OUZJEXOEBNWHPF-PHIMTYICSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)C1CCCCCC1 59184499 343342784 /nfs/dbraw/zinc/34/27/84/343342784.db2.gz OOYAUIIMOVVSKQ-VIFPVBQESA-N 2 1 197.326 1.965 10 0 ADAEMP CC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 62861886 343383657 /nfs/dbraw/zinc/38/36/57/343383657.db2.gz ULEBLVUOFZNQKA-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1CCC2(CCCC2)CC1 62953575 343388132 /nfs/dbraw/zinc/38/81/32/343388132.db2.gz BDOQULAUNLFRIE-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC(=[NH2+])NC[C@H]1CCCC[N@@H+]1C 62987394 343390836 /nfs/dbraw/zinc/39/08/36/343390836.db2.gz DFKFDJBBALFTCI-SECBINFHSA-N 2 1 169.272 1.057 10 0 ADAEMP [NH2+]=C(N[C@H]1C[NH+]2CCC1CC2)C1CC1 62989182 343392396 /nfs/dbraw/zinc/39/23/96/343392396.db2.gz NWOOZMVLGPQAAG-JTQLQIEISA-N 2 1 193.294 1.057 10 0 ADAEMP CCC(=[NH2+])N1CCC[N@@H+](C)CC1 62989521 343392603 /nfs/dbraw/zinc/39/26/03/343392603.db2.gz WJWSPQCSYMJWJF-UHFFFAOYSA-N 2 1 169.272 1.011 10 0 ADAEMP C[N@H+]1CC[C@@H](CNC(=[NH2+])C(C)(C)C)C1 62990967 343393578 /nfs/dbraw/zinc/39/35/78/343393578.db2.gz VTRBQFLJKMRGOC-VIFPVBQESA-N 2 1 197.326 1.551 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H]1CCC[N@H+](C)C1 62991441 343394026 /nfs/dbraw/zinc/39/40/26/343394026.db2.gz ZVLMMBAXOGGDHV-SECBINFHSA-N 2 1 183.299 1.303 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H]1CCC[N@@H+](C)C1 62991441 343394027 /nfs/dbraw/zinc/39/40/27/343394027.db2.gz ZVLMMBAXOGGDHV-SECBINFHSA-N 2 1 183.299 1.303 10 0 ADAEMP C[N@@H+]1CCC[C@H](NC(=[NH2+])C(C)(C)C)C1 62991445 343394030 /nfs/dbraw/zinc/39/40/30/343394030.db2.gz BQPTYVCRKGTOHG-VIFPVBQESA-N 2 1 197.326 1.694 10 0 ADAEMP C[N@H+]1CCC[C@H](NC(=[NH2+])C(C)(C)C)C1 62991445 343394031 /nfs/dbraw/zinc/39/40/31/343394031.db2.gz BQPTYVCRKGTOHG-VIFPVBQESA-N 2 1 197.326 1.694 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CCC[N@H+](C)C1 62991437 343394040 /nfs/dbraw/zinc/39/40/40/343394040.db2.gz HAJTUEUCAKJVOZ-MRVPVSSYSA-N 2 1 169.272 1.057 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CCC[N@@H+](C)C1 62991437 343394041 /nfs/dbraw/zinc/39/40/41/343394041.db2.gz HAJTUEUCAKJVOZ-MRVPVSSYSA-N 2 1 169.272 1.057 10 0 ADAEMP CCC(=[NH2+])NC[C@@H]1CCCC[N@H+]1C 62992196 343394518 /nfs/dbraw/zinc/39/45/18/343394518.db2.gz LZXXJAFVJDRREY-VIFPVBQESA-N 2 1 183.299 1.448 10 0 ADAEMP CC[N@@H+]1CCC[C@H](NC(=[NH2+])C(C)C)C1 62992158 343394525 /nfs/dbraw/zinc/39/45/25/343394525.db2.gz VROIUTSSIFDKFA-JTQLQIEISA-N 2 1 197.326 1.694 10 0 ADAEMP CC[N@H+]1CCC[C@H](NC(=[NH2+])C(C)C)C1 62992158 343394526 /nfs/dbraw/zinc/39/45/26/343394526.db2.gz VROIUTSSIFDKFA-JTQLQIEISA-N 2 1 197.326 1.694 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@H]12 62992609 343394532 /nfs/dbraw/zinc/39/45/32/343394532.db2.gz QVPBLSDKGPIHNB-DTWKUNHWSA-N 2 1 181.283 1.200 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@@H+](C2CC2)C1 62992497 343394539 /nfs/dbraw/zinc/39/45/39/343394539.db2.gz OIDGFCLYVASBJH-QMMMGPOBSA-N 2 1 181.283 1.200 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@H+](C2CC2)C1 62992497 343394540 /nfs/dbraw/zinc/39/45/40/343394540.db2.gz OIDGFCLYVASBJH-QMMMGPOBSA-N 2 1 181.283 1.200 10 0 ADAEMP C[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])C1CC1 62992202 343394562 /nfs/dbraw/zinc/39/45/62/343394562.db2.gz XDMMUXHHFYXOFX-SNVBAGLBSA-N 2 1 195.310 1.448 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])C1CC1 62992202 343394563 /nfs/dbraw/zinc/39/45/63/343394563.db2.gz XDMMUXHHFYXOFX-SNVBAGLBSA-N 2 1 195.310 1.448 10 0 ADAEMP C[N@@H+]1CC[C@H](NC(=[NH2+])C(C)(C)C)C1 62992738 343394568 /nfs/dbraw/zinc/39/45/68/343394568.db2.gz LAFNLNXOJYFNIJ-QMMMGPOBSA-N 2 1 183.299 1.303 10 0 ADAEMP C[N@H+]1CC[C@H](NC(=[NH2+])C(C)(C)C)C1 62992738 343394569 /nfs/dbraw/zinc/39/45/69/343394569.db2.gz LAFNLNXOJYFNIJ-QMMMGPOBSA-N 2 1 183.299 1.303 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C 62992200 343394578 /nfs/dbraw/zinc/39/45/78/343394578.db2.gz ZLGVPJBLRHICCS-JTQLQIEISA-N 2 1 197.326 1.694 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@@H]1CCCC[N@H+]1C 62992200 343394579 /nfs/dbraw/zinc/39/45/79/343394579.db2.gz ZLGVPJBLRHICCS-JTQLQIEISA-N 2 1 197.326 1.694 10 0 ADAEMP CCC(=[NH2+])NC[C@H]1CCCC[N@H+]1C 62992197 343394581 /nfs/dbraw/zinc/39/45/81/343394581.db2.gz LZXXJAFVJDRREY-SECBINFHSA-N 2 1 183.299 1.448 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CCC[N@H+](CC)C1 62992154 343394586 /nfs/dbraw/zinc/39/45/86/343394586.db2.gz MZHULKFSEICVBQ-SECBINFHSA-N 2 1 183.299 1.448 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@H+]2CCCC[C@H]12 62993318 343395048 /nfs/dbraw/zinc/39/50/48/343395048.db2.gz ISZRZQQIXOOJJV-VHSXEESVSA-N 2 1 195.310 1.590 10 0 ADAEMP Cc1[nH+]cn([C@H]2CC[C@@H](C)[NH2+]C2)c1C 62949169 343387756 /nfs/dbraw/zinc/38/77/56/343387756.db2.gz XSBKQQYWCUXEPX-KCJUWKMLSA-N 2 1 193.294 1.813 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CC[C@@H](C)[NH2+]C1 62949141 343387843 /nfs/dbraw/zinc/38/78/43/343387843.db2.gz XZRRJBMBORONFS-SCZZXKLOSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1CCCC1(C)C 63067419 343400643 /nfs/dbraw/zinc/40/06/43/343400643.db2.gz XZDUWJQNZGCMTN-ZETCQYMHSA-N 2 1 169.272 1.185 10 0 ADAEMP C[C@@H](C[N@H+]1CCCC1(C)C)C(N)=[NH2+] 63067412 343400704 /nfs/dbraw/zinc/40/07/04/343400704.db2.gz JQVFKERTJYCCGN-QMMMGPOBSA-N 2 1 183.299 1.433 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+](C2CC2)C1 69050345 343424845 /nfs/dbraw/zinc/42/48/45/343424845.db2.gz GIOJQVSCGZXMRP-MBXJOHMKSA-N 2 1 166.268 1.130 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])C1CC1 68894705 343413714 /nfs/dbraw/zinc/41/37/14/343413714.db2.gz FMIBTBLLZOZFTP-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CCC1 69727627 343438294 /nfs/dbraw/zinc/43/82/94/343438294.db2.gz WZKUOEUGFNVYSP-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+](C2CCCC2)C1 69626408 343427691 /nfs/dbraw/zinc/42/76/91/343427691.db2.gz ILILTUHQVFZOOW-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP Nc1cc[nH+]cc1[C@@H]([NH3+])C1CCCC1 69845374 343447410 /nfs/dbraw/zinc/44/74/10/343447410.db2.gz FIJPYZUBYPKVGD-NSHDSACASA-N 2 1 191.278 1.854 10 0 ADAEMP CC(C)(C)[NH2+]Cc1c[nH+]ccc1N 69845832 343447429 /nfs/dbraw/zinc/44/74/29/343447429.db2.gz JGWNQUAXWBOJOK-UHFFFAOYSA-N 2 1 179.267 1.552 10 0 ADAEMP CC[C@H]([NH2+]C)c1c[nH+]ccc1N 69845237 343447438 /nfs/dbraw/zinc/44/74/38/343447438.db2.gz FQBDTWOQUJSECT-VIFPVBQESA-N 2 1 165.240 1.334 10 0 ADAEMP CC(C)[C@@H]([NH3+])c1c[nH+]ccc1N 69845050 343447444 /nfs/dbraw/zinc/44/74/44/343447444.db2.gz OXWWFVMJRHLDFK-SECBINFHSA-N 2 1 165.240 1.320 10 0 ADAEMP C[NH2+][C@@H](c1c[nH+]ccc1N)C(C)(C)C 69845339 343447453 /nfs/dbraw/zinc/44/74/53/343447453.db2.gz XPRHLONYTLRROB-JTQLQIEISA-N 2 1 193.294 1.970 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)C1CC1 69845321 343447471 /nfs/dbraw/zinc/44/74/71/343447471.db2.gz UFAOKAKRTQTCFC-JTQLQIEISA-N 2 1 177.251 1.334 10 0 ADAEMP CCC[C@H]([NH3+])c1c[nH+]ccc1N 69845095 343447474 /nfs/dbraw/zinc/44/74/74/343447474.db2.gz KROFQBSKHGMBEJ-QMMMGPOBSA-N 2 1 165.240 1.464 10 0 ADAEMP C[NH2+][C@H](c1c[nH+]ccc1N)C(C)(C)C 69845337 343447480 /nfs/dbraw/zinc/44/74/80/343447480.db2.gz XPRHLONYTLRROB-SNVBAGLBSA-N 2 1 193.294 1.970 10 0 ADAEMP Nc1cc[nH+]cc1[C@H]([NH3+])C1CCCC1 69845372 343447500 /nfs/dbraw/zinc/44/75/00/343447500.db2.gz FIJPYZUBYPKVGD-LLVKDONJSA-N 2 1 191.278 1.854 10 0 ADAEMP CC[C@@H]([NH3+])c1c[nH+]ccc1N 69845081 343447507 /nfs/dbraw/zinc/44/75/07/343447507.db2.gz CXLQXMRWNQSXGA-SSDOTTSWSA-N 2 1 151.213 1.074 10 0 ADAEMP CC1(C)C[C@@](C[NH3+])([NH2+]C2CC2)CCO1 69892555 343451791 /nfs/dbraw/zinc/45/17/91/343451791.db2.gz QZZFMSBJNVXBHC-NSHDSACASA-N 2 1 198.310 1.025 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1CCCC1(C)C 70046192 343469126 /nfs/dbraw/zinc/46/91/26/343469126.db2.gz AFGYMRJWOKUFEP-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CC[NH2+]C[C@@H]1C 70046954 343469502 /nfs/dbraw/zinc/46/95/02/343469502.db2.gz ADHYXLJYIZFYCD-WPRPVWTQSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[NH2+]C[C@H]2C)c1C 70047004 343469577 /nfs/dbraw/zinc/46/95/77/343469577.db2.gz TZFYIZDACIHANX-LDYMZIIASA-N 2 1 193.294 1.670 10 0 ADAEMP Cc1c[nH+]ccc1OC[C@@H]1CC[NH2+]C1 70047843 343469995 /nfs/dbraw/zinc/46/99/95/343469995.db2.gz VKKZCQNVJNWWII-SNVBAGLBSA-N 2 1 192.262 1.378 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1CCCCC[C@H]1C 69945144 343459036 /nfs/dbraw/zinc/45/90/36/343459036.db2.gz YHTOSWCQYREYHX-BDAKNGLRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@@H]1C 69945147 343459176 /nfs/dbraw/zinc/45/91/76/343459176.db2.gz XXRYPWZLPPLTTM-UWVGGRQHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCCC[C@@H]1C 69945147 343459177 /nfs/dbraw/zinc/45/91/77/343459177.db2.gz XXRYPWZLPPLTTM-UWVGGRQHSA-N 2 1 197.326 1.965 10 0 ADAEMP C[C@H](C[N@H+]1CCCCC[C@H]1C)C(N)=[NH2+] 69945130 343459259 /nfs/dbraw/zinc/45/92/59/343459259.db2.gz VKCKWHRCTUGEHS-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCCCC[C@@H]1C 69944404 343459340 /nfs/dbraw/zinc/45/93/40/343459340.db2.gz KDOLBSTVHOPXFK-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1[NH+](C)C 70622989 343505899 /nfs/dbraw/zinc/50/58/99/343505899.db2.gz MHPWUMBWRRWDTI-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC(C)(C)C1 70629081 343508691 /nfs/dbraw/zinc/50/86/91/343508691.db2.gz OUXDEUUMSSXXIO-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](c2[nH+]ccn2C)C1 70640123 343512959 /nfs/dbraw/zinc/51/29/59/343512959.db2.gz XHECDAHAHLXFAU-DTWKUNHWSA-N 2 1 179.267 1.276 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CC[C@H]([NH2+]C)C1 70640243 343513035 /nfs/dbraw/zinc/51/30/35/343513035.db2.gz HKUGNDOYFMXHGW-ZJUUUORDSA-N 2 1 193.294 1.759 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C1 70644481 343515593 /nfs/dbraw/zinc/51/55/93/343515593.db2.gz YWXWZZDHBJTLKF-BDAKNGLRSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@@H](C)C1 70644480 343515606 /nfs/dbraw/zinc/51/56/06/343515606.db2.gz YWXWZZDHBJTLKF-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@H]1CC[C@](C[NH3+])([NH2+]C)C1 70644469 343515613 /nfs/dbraw/zinc/51/56/13/343515613.db2.gz XBWPABBLRRTWCZ-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 70644872 343516157 /nfs/dbraw/zinc/51/61/57/343516157.db2.gz LDACUOZSTQKMOG-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1 70644880 343516196 /nfs/dbraw/zinc/51/61/96/343516196.db2.gz LRCWVLAQDOLIFT-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1 70644876 343516266 /nfs/dbraw/zinc/51/62/66/343516266.db2.gz CTYQLDHEBSYHPY-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1ccc2[nH+]cc(CC[NH3+])n2c1 74275515 343571676 /nfs/dbraw/zinc/57/16/76/343571676.db2.gz JECXYCPPQOAXRM-UHFFFAOYSA-N 2 1 189.262 1.398 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@@H]1C 84329187 343634115 /nfs/dbraw/zinc/63/41/15/343634115.db2.gz AJJLMAVYNSDTLV-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 87255102 343658684 /nfs/dbraw/zinc/65/86/84/343658684.db2.gz FAXDPWTXLUNQLO-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H](c1ccc[nH]1)[N@H+]1CC[C@H](C[NH3+])C1 95068275 343679270 /nfs/dbraw/zinc/67/92/70/343679270.db2.gz ZPQGPGDVUXEBTO-NXEZZACHSA-N 2 1 193.294 1.356 10 0 ADAEMP C[N@H+]1CCC[C@H]1C1=C[NH2+]C=CC1 100232563 343713291 /nfs/dbraw/zinc/71/32/91/343713291.db2.gz YKFPBHYPTBLDNN-JTQLQIEISA-N 2 1 164.252 1.472 10 0 ADAEMP [NH3+]C1CC([N@@H+]2C[C@H]3CCC[C@H]3C2)C1 126657446 343795302 /nfs/dbraw/zinc/79/53/02/343795302.db2.gz XVULISDBEMNSQO-IXBNRNDTSA-N 2 1 180.295 1.208 10 0 ADAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCC1 127514780 343813382 /nfs/dbraw/zinc/81/33/82/343813382.db2.gz HHWYRGDSEUAUQX-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C1CCC1 127527348 343813463 /nfs/dbraw/zinc/81/34/63/343813463.db2.gz SWWZOLUMEGAEBD-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@H]([NH3+])C1)C1CCC1 127560171 343814049 /nfs/dbraw/zinc/81/40/49/343814049.db2.gz YUFWSPMSTXQLSM-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C1CCC1)C1CC[NH2+]CC1 127453203 343811946 /nfs/dbraw/zinc/81/19/46/343811946.db2.gz FGYFGOUTTMKVNB-UHFFFAOYSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CC[C@@H]1C[NH3+] 127882767 343821040 /nfs/dbraw/zinc/82/10/40/343821040.db2.gz YDXRMPVFEZIHHK-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1=CC[NH2+]CC1 129432063 343849933 /nfs/dbraw/zinc/84/99/33/343849933.db2.gz VXRPJRXVCZTZPA-JTQLQIEISA-N 2 1 180.295 1.390 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CCC1C[NH2+]C1 129438211 343849936 /nfs/dbraw/zinc/84/99/36/343849936.db2.gz QOEINGVXGMVKQX-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)C1C[NH+]([C@@H]2CCC[NH2+][C@@H]2C)C1 129562495 343853144 /nfs/dbraw/zinc/85/31/44/343853144.db2.gz RERFGDMJMDYOCM-ZYHUDNBSSA-N 2 1 196.338 1.715 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CCC[NH2+][C@@H]1C 129571030 343853146 /nfs/dbraw/zinc/85/31/46/343853146.db2.gz VXZLMGHHJWUKAC-MWLCHTKSSA-N 2 1 193.294 1.759 10 0 ADAEMP CCC1C[NH+]([C@@H]2CCC[NH2+][C@H]2C)C1 129564606 343853151 /nfs/dbraw/zinc/85/31/51/343853151.db2.gz WHSWONPCMFFGMF-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCC[NH2+][C@@H]1C 129572120 343853157 /nfs/dbraw/zinc/85/31/57/343853157.db2.gz XFOSQGRRTZAVAS-ZJUUUORDSA-N 2 1 179.267 1.505 10 0 ADAEMP CC(C)C1C[NH+]([C@H]2CCC[NH2+][C@H]2C)C1 129563106 343853166 /nfs/dbraw/zinc/85/31/66/343853166.db2.gz RERFGDMJMDYOCM-JQWIXIFHSA-N 2 1 196.338 1.715 10 0 ADAEMP CCc1c[nH+]cn1C1(C)CC[NH2+]CC1 129668414 343854796 /nfs/dbraw/zinc/85/47/96/343854796.db2.gz WOSAQOCAGQKISB-UHFFFAOYSA-N 2 1 193.294 1.544 10 0 ADAEMP CC1(C)CCC[N@@H+](CCC2C[NH2+]C2)C1 129710589 343855280 /nfs/dbraw/zinc/85/52/80/343855280.db2.gz KBBBJIDNWQLSGO-UHFFFAOYSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1CCC1C[NH2+]C1 129713724 343855282 /nfs/dbraw/zinc/85/52/82/343855282.db2.gz RFJFMSKACGUGAT-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1CCC1C[NH2+]C1 129713929 343855390 /nfs/dbraw/zinc/85/53/90/343855390.db2.gz RFJFMSKACGUGAT-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC2C[NH2+]C2)C[C@@H]1C 129833748 343857227 /nfs/dbraw/zinc/85/72/27/343857227.db2.gz PUEJRNVYLJCNBL-QWRGUYRKSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)[C@H](C)C1 129655287 343854301 /nfs/dbraw/zinc/85/43/01/343854301.db2.gz QWDANOUCRLJFRZ-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCC2C[NH2+]C2)CC1 129692475 343854687 /nfs/dbraw/zinc/85/46/87/343854687.db2.gz NUYKJQHNKGPPSF-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C1(C)CC[NH2+]CC1 129657044 343854691 /nfs/dbraw/zinc/85/46/91/343854691.db2.gz VUGYNXOHTKOZHN-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[N@H+]1C1(C)CC[NH2+]CC1 129657277 343854711 /nfs/dbraw/zinc/85/47/11/343854711.db2.gz VUGYNXOHTKOZHN-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCC2C[NH2+]C2)CC1 129692716 343854753 /nfs/dbraw/zinc/85/47/53/343854753.db2.gz NUYKJQHNKGPPSF-NSHDSACASA-N 2 1 196.338 1.718 10 0 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/nfs/dbraw/zinc/06/25/47/166062547.db2.gz HWNOWWXIVOGMOQ-UFFNRZRYSA-N 2 1 182.311 1.494 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H](C[NH3+])C1 44529442 166062774 /nfs/dbraw/zinc/06/27/74/166062774.db2.gz KRVYURCEQYABJL-VMZHVLLKSA-N 2 1 168.284 1.233 10 0 ADAEMP C/C=C/C[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746922 166062879 /nfs/dbraw/zinc/06/28/79/166062879.db2.gz RSEJHLVYSZBETG-GZXMXEMNSA-N 2 1 194.322 1.777 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H](C[NH2+]C)C1 40600077 166063475 /nfs/dbraw/zinc/06/34/75/166063475.db2.gz HWNOWWXIVOGMOQ-PGLGOXFNSA-N 2 1 182.311 1.494 10 0 ADAEMP C/C=C/C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40750156 166063508 /nfs/dbraw/zinc/06/35/08/166063508.db2.gz WNMRLJQEKPJPHY-UUONQYDUSA-N 2 1 180.295 1.517 10 0 ADAEMP C/C=C/C[N@H+](CC)C1CC[NH2+]CC1 37469528 166063673 /nfs/dbraw/zinc/06/36/73/166063673.db2.gz AWPRAULTXWYSKI-HWKANZROSA-N 2 1 182.311 1.636 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51359629 166063809 /nfs/dbraw/zinc/06/38/09/166063809.db2.gz GKGPNEKFUGAVNU-QVWGBTSJSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 51359629 166063811 /nfs/dbraw/zinc/06/38/11/166063811.db2.gz GKGPNEKFUGAVNU-QVWGBTSJSA-N 2 1 194.322 1.779 10 0 ADAEMP C1=C([C@@H]2CCCC[NH2+]2)CCC[NH2+]1 238016553 166071764 /nfs/dbraw/zinc/07/17/64/166071764.db2.gz IOBHEXICYAKYQW-JTQLQIEISA-N 2 1 166.268 1.396 10 0 ADAEMP C1=C([C@H]2CCCC[NH2+]2)CCC[NH2+]1 238017792 166071848 /nfs/dbraw/zinc/07/18/48/166071848.db2.gz IOBHEXICYAKYQW-SNVBAGLBSA-N 2 1 166.268 1.396 10 0 ADAEMP C1=CC[N@@H+](CC[C@@H]2CCCC[NH2+]2)CC1 75423219 166075285 /nfs/dbraw/zinc/07/52/85/166075285.db2.gz YXVREPFJXIVKDE-LBPRGKRZSA-N 2 1 194.322 1.781 10 0 ADAEMP C1=CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)CC1 45629337 166075323 /nfs/dbraw/zinc/07/53/23/166075323.db2.gz FLCSVFWXJYKSAF-NEPJUHHUSA-N 2 1 194.322 1.684 10 0 ADAEMP C1=CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 75423215 166075551 /nfs/dbraw/zinc/07/55/51/166075551.db2.gz SWLNHFHLEZKQAG-NSHDSACASA-N 2 1 180.295 1.248 10 0 ADAEMP C1=CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 75423216 166075811 /nfs/dbraw/zinc/07/58/11/166075811.db2.gz SWLNHFHLEZKQAG-LLVKDONJSA-N 2 1 180.295 1.248 10 0 ADAEMP C1=CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)CC1 45629335 166075944 /nfs/dbraw/zinc/07/59/44/166075944.db2.gz FLCSVFWXJYKSAF-RYUDHWBXSA-N 2 1 194.322 1.684 10 0 ADAEMP C1=CC[N@@H+](CC[C@H]2CCCC[NH2+]2)CC1 75423220 166076016 /nfs/dbraw/zinc/07/60/16/166076016.db2.gz YXVREPFJXIVKDE-GFCCVEGCSA-N 2 1 194.322 1.781 10 0 ADAEMP C1=CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC1 45629336 166076328 /nfs/dbraw/zinc/07/63/28/166076328.db2.gz FLCSVFWXJYKSAF-NWDGAFQWSA-N 2 1 194.322 1.684 10 0 ADAEMP C1=CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)CC1 45629338 166076681 /nfs/dbraw/zinc/07/66/81/166076681.db2.gz FLCSVFWXJYKSAF-VXGBXAGGSA-N 2 1 194.322 1.684 10 0 ADAEMP C1=CC[N@@H+](CC2CC[NH2+]CC2)CC1 75423214 166076721 /nfs/dbraw/zinc/07/67/21/166076721.db2.gz JQXNTZVZXPUIOE-UHFFFAOYSA-N 2 1 180.295 1.248 10 0 ADAEMP C1=[NH+]C[C@H]2CCCC[N@@H+]2CC1 39080390 166081071 /nfs/dbraw/zinc/08/10/71/166081071.db2.gz FZOVKZDAFPDWKZ-SECBINFHSA-N 2 1 152.241 1.315 10 0 ADAEMP C1=[NH+]C[C@H]2CCCC[N@H+]2CC1 39080390 166081072 /nfs/dbraw/zinc/08/10/72/166081072.db2.gz FZOVKZDAFPDWKZ-SECBINFHSA-N 2 1 152.241 1.315 10 0 ADAEMP C1=[NH+]C[C@@H]2CCCC[N@@H+]2CC1 39080388 166081090 /nfs/dbraw/zinc/08/10/90/166081090.db2.gz FZOVKZDAFPDWKZ-VIFPVBQESA-N 2 1 152.241 1.315 10 0 ADAEMP C1=[NH+]C[C@@H]2CCCC[N@H+]2CC1 39080388 166081092 /nfs/dbraw/zinc/08/10/92/166081092.db2.gz FZOVKZDAFPDWKZ-VIFPVBQESA-N 2 1 152.241 1.315 10 0 ADAEMP C1CC([N@@H+]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 49716228 166082890 /nfs/dbraw/zinc/08/28/90/166082890.db2.gz DFNSJFLZNGCASL-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 307531381 166083126 /nfs/dbraw/zinc/08/31/26/166083126.db2.gz XFFKSXYQFUITSG-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 44481714 166083393 /nfs/dbraw/zinc/08/33/93/166083393.db2.gz ITGGFFVLTNGSRW-JTQLQIEISA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 44481715 166083435 /nfs/dbraw/zinc/08/34/35/166083435.db2.gz ITGGFFVLTNGSRW-SNVBAGLBSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC([N@@H+]2C[C@@H]3CC[C@H]2C3)CC[NH2+]1 49716227 166083442 /nfs/dbraw/zinc/08/34/42/166083442.db2.gz DFNSJFLZNGCASL-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC(C[NH2+][C@H]2CCC[NH2+]C2)C1 43325371 166083605 /nfs/dbraw/zinc/08/36/05/166083605.db2.gz LXIVMNQQFGXHSM-JTQLQIEISA-N 2 1 168.284 1.128 10 0 ADAEMP C1CC([N@H+]2CCC3(CC[NH2+]CC3)C2)C1 95937482 166083751 /nfs/dbraw/zinc/08/37/51/166083751.db2.gz AXMWIQMJNFPSEO-UHFFFAOYSA-N 2 1 194.322 1.614 10 0 ADAEMP C1CC(C[NH2+][C@@H]2CCC[NH2+]C2)C1 43325369 166083986 /nfs/dbraw/zinc/08/39/86/166083986.db2.gz LXIVMNQQFGXHSM-SNVBAGLBSA-N 2 1 168.284 1.128 10 0 ADAEMP C1CC([NH2+]CC[NH2+]CC2CC2)C1 52212405 166084299 /nfs/dbraw/zinc/08/42/99/166084299.db2.gz LBYPNQBVIRKQIU-UHFFFAOYSA-N 2 1 168.284 1.128 10 0 ADAEMP C1CC(C[N@H+]2C[C@H]3CC[C@@H]2C3)CC[NH2+]1 49717014 166084319 /nfs/dbraw/zinc/08/43/19/166084319.db2.gz OIZRYHLLEBSIKS-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 307531382 166084370 /nfs/dbraw/zinc/08/43/70/166084370.db2.gz XFFKSXYQFUITSG-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 307531380 166084373 /nfs/dbraw/zinc/08/43/73/166084373.db2.gz XFFKSXYQFUITSG-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306152594 166085901 /nfs/dbraw/zinc/08/59/01/166085901.db2.gz BCNTZENEWAKPBA-TXEJJXNPSA-N 2 1 194.322 1.328 10 0 ADAEMP C1CC2(CC[NH2+]1)CC[N@H+](C1CC1)C2 62951112 166086105 /nfs/dbraw/zinc/08/61/05/166086105.db2.gz REPPRCDUGOTRCW-UHFFFAOYSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CCC(CC[NH2+][C@@H]2CCC[NH2+]C2)C1 43327109 166086728 /nfs/dbraw/zinc/08/67/28/166086728.db2.gz PSAQKVBQPOTBAZ-GFCCVEGCSA-N 2 1 196.338 1.908 10 0 ADAEMP C1CCC([NH2+]CC[NH2+]C2CCC2)C1 52212453 166087321 /nfs/dbraw/zinc/08/73/21/166087321.db2.gz FBBWZKARZHDVLY-UHFFFAOYSA-N 2 1 182.311 1.661 10 0 ADAEMP C1CCC(CC[NH2+][C@H]2CCC[NH2+]C2)C1 43327110 166087812 /nfs/dbraw/zinc/08/78/12/166087812.db2.gz PSAQKVBQPOTBAZ-LBPRGKRZSA-N 2 1 196.338 1.908 10 0 ADAEMP C1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)C1 43325393 166088259 /nfs/dbraw/zinc/08/82/59/166088259.db2.gz QFWKABHEKZTOEI-LLVKDONJSA-N 2 1 182.311 1.518 10 0 ADAEMP C1CCC(C[NH2+][C@H]2CCC[NH2+]C2)C1 43325395 166088666 /nfs/dbraw/zinc/08/86/66/166088666.db2.gz QFWKABHEKZTOEI-NSHDSACASA-N 2 1 182.311 1.518 10 0 ADAEMP C1CCC2(C1)C[C@H]2[NH2+][C@H]1CC[NH2+]C1 307126544 166088856 /nfs/dbraw/zinc/08/88/56/166088856.db2.gz BNMNZXNDGSGBOQ-VHSXEESVSA-N 2 1 180.295 1.271 10 0 ADAEMP C1CCC2(C1)C[C@H]2[NH2+][C@@H]1CC[NH2+]C1 307126542 166088952 /nfs/dbraw/zinc/08/89/52/166088952.db2.gz BNMNZXNDGSGBOQ-NXEZZACHSA-N 2 1 180.295 1.271 10 0 ADAEMP C1CCC2(CC1)CNC[C@@H]1CCC[N@@H+]12 82386985 166089434 /nfs/dbraw/zinc/08/94/34/166089434.db2.gz KHMZHOVKKDTORF-NSHDSACASA-N 2 1 194.322 1.757 10 0 ADAEMP C1CCC2(C1)C[C@@H]2[NH2+][C@H]1CC[NH2+]C1 307126543 166089519 /nfs/dbraw/zinc/08/95/19/166089519.db2.gz BNMNZXNDGSGBOQ-UWVGGRQHSA-N 2 1 180.295 1.271 10 0 ADAEMP C1CCC2(C1)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 307126545 166089735 /nfs/dbraw/zinc/08/97/35/166089735.db2.gz BNMNZXNDGSGBOQ-ZJUUUORDSA-N 2 1 180.295 1.271 10 0 ADAEMP C1CC[N@@H+]2CCCC[C@@H]2C[NH2+]C1 62566436 166090647 /nfs/dbraw/zinc/09/06/47/166090647.db2.gz BRKXXUOAFNADLC-SNVBAGLBSA-N 2 1 168.284 1.224 10 0 ADAEMP C1CC[NH+](C[C@@H]2[NH2+][C@H]3CC[C@@H]2C3)C1 34567839 166091000 /nfs/dbraw/zinc/09/10/00/166091000.db2.gz VLSGPTFXZGPZAA-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[N@H+]2CC[C@H]([NH2+]CC3CC3)[C@@H]2C1 36997039 166091112 /nfs/dbraw/zinc/09/11/12/166091112.db2.gz LCGPAYZKUQPPDU-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([NH2+]CC3CC3)[C@@H]2C1 36997039 166091113 /nfs/dbraw/zinc/09/11/13/166091113.db2.gz LCGPAYZKUQPPDU-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)[C@@H]2C1 83273852 166091164 /nfs/dbraw/zinc/09/11/64/166091164.db2.gz OPCPIVJFRYZDFY-WDEREUQCSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC[N@@H+]2CC[C@]3(CC[NH2+]C3)[C@@H]2C1 83273851 166091396 /nfs/dbraw/zinc/09/13/96/166091396.db2.gz OPCPIVJFRYZDFY-QWRGUYRKSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC[NH+](C[C@H]2[NH2+][C@@H]3CC[C@H]2C3)C1 39111967 166091721 /nfs/dbraw/zinc/09/17/21/166091721.db2.gz VLSGPTFXZGPZAA-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[N@H+]2CC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 36997040 166092003 /nfs/dbraw/zinc/09/20/03/166092003.db2.gz LCGPAYZKUQPPDU-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 36997040 166092004 /nfs/dbraw/zinc/09/20/04/166092004.db2.gz LCGPAYZKUQPPDU-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@@H+]2CCCC[C@H]2C[NH2+]C1 62566434 166092076 /nfs/dbraw/zinc/09/20/76/166092076.db2.gz BRKXXUOAFNADLC-JTQLQIEISA-N 2 1 168.284 1.224 10 0 ADAEMP C1CC[NH+](C2CC[NH+](C3CC3)CC2)C1 73653362 166092507 /nfs/dbraw/zinc/09/25/07/166092507.db2.gz PEALWEVLSLKEKM-UHFFFAOYSA-N 2 1 194.322 1.709 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[C@@H]1C[NH3+] 132851828 343906222 /nfs/dbraw/zinc/90/62/22/343906222.db2.gz KOWCUBATCHQTBH-NXEZZACHSA-N 2 1 179.267 1.491 10 0 ADAEMP CCc1c[nH+]cn1C[C@H]1CCC[NH2+]C1 132868540 343906224 /nfs/dbraw/zinc/90/62/24/343906224.db2.gz FLKRMNAWKUNQBC-JTQLQIEISA-N 2 1 193.294 1.445 10 0 ADAEMP C1CC[C@@H]2C[C@H](C[NH2+]C3CC3)[NH2+][C@H]2C1 40408372 166093843 /nfs/dbraw/zinc/09/38/43/166093843.db2.gz POYBAROKPDMTGC-JLLWLGSASA-N 2 1 194.322 1.659 10 0 ADAEMP C1CC[C@@H]2CC[NH2+]CC[N@H+]2CC1 80550005 166093944 /nfs/dbraw/zinc/09/39/44/166093944.db2.gz QTOFEVXUQJKZOI-SNVBAGLBSA-N 2 1 168.284 1.224 10 0 ADAEMP C1CC[C@@H]2[NH2+][C@@H](C[NH2+]C3CC3)C[C@@H]2C1 40408365 166094161 /nfs/dbraw/zinc/09/41/61/166094161.db2.gz POYBAROKPDMTGC-WCQGTBRESA-N 2 1 194.322 1.659 10 0 ADAEMP C1CC[C@H]2CC[NH2+]CC[N@H+]2CC1 80550008 166094908 /nfs/dbraw/zinc/09/49/08/166094908.db2.gz QTOFEVXUQJKZOI-JTQLQIEISA-N 2 1 168.284 1.224 10 0 ADAEMP CCc1c[nH+]cn1C[C@@H]1CCC[NH2+]C1 132868368 343906233 /nfs/dbraw/zinc/90/62/33/343906233.db2.gz FLKRMNAWKUNQBC-SNVBAGLBSA-N 2 1 193.294 1.445 10 0 ADAEMP C1C[C@@H]2CC[C@H](C[NH2+]1)[N@H+]2CC1CC1 38343410 166102643 /nfs/dbraw/zinc/10/26/43/166102643.db2.gz QQGMHNNAORVETN-WDEREUQCSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2C[N@@H+](CC3CC3)CC[C@H]2[NH2+]1 307629919 166102725 /nfs/dbraw/zinc/10/27/25/166102725.db2.gz NMUHTJHNELODBT-GHMZBOCLSA-N 2 1 180.295 1.080 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[C@H]1C[NH3+] 132852207 343906264 /nfs/dbraw/zinc/90/62/64/343906264.db2.gz KOWCUBATCHQTBH-VHSXEESVSA-N 2 1 179.267 1.491 10 0 ADAEMP C1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2[NH2+]1 307629920 166104639 /nfs/dbraw/zinc/10/46/39/166104639.db2.gz NMUHTJHNELODBT-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@H]2C[N@@H+](CC3CC3)CC[C@H]2[NH2+]1 307629923 166105276 /nfs/dbraw/zinc/10/52/76/166105276.db2.gz NMUHTJHNELODBT-WDEREUQCSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@H]2C[N@@H+](CC3CC3)CC[C@@H]2[NH2+]1 307629922 166107022 /nfs/dbraw/zinc/10/70/22/166107022.db2.gz NMUHTJHNELODBT-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 133083147 343911473 /nfs/dbraw/zinc/91/14/73/343911473.db2.gz MXMXUKUIJSSPEV-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 133083348 343911559 /nfs/dbraw/zinc/91/15/59/343911559.db2.gz MXMXUKUIJSSPEV-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CC=CC1 133113308 343912026 /nfs/dbraw/zinc/91/20/26/343912026.db2.gz OKCJFVCODVLRLS-ZJUUUORDSA-N 2 1 180.295 1.517 10 0 ADAEMP C1CC(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 307531383 166082610 /nfs/dbraw/zinc/08/26/10/166082610.db2.gz XFFKSXYQFUITSG-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)([NH3+])Cn1c[nH+]cc1C(C)(C)C 133570904 343922773 /nfs/dbraw/zinc/92/27/73/343922773.db2.gz ZJKWCMHSZHLRBX-UHFFFAOYSA-N 2 1 195.310 1.918 10 0 ADAEMP CC(C)(C)C1CC([NH2+][C@H]2CC[NH2+]C2)C1 335008400 166348112 /nfs/dbraw/zinc/34/81/12/166348112.db2.gz SZSCAJUNDOYSCT-YVNMAJEFSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)(C)C1CC([NH2+][C@@H]2CC[NH2+]C2)C1 335008398 166348577 /nfs/dbraw/zinc/34/85/77/166348577.db2.gz SZSCAJUNDOYSCT-HSOILSAZSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 31994453 166350270 /nfs/dbraw/zinc/35/02/70/166350270.db2.gz YMIGAYLKGMLDLM-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)(C)C[N@H+]1CCC[C@@H](C[NH3+])C1 11888298 166350813 /nfs/dbraw/zinc/35/08/13/166350813.db2.gz WKAJJVURADEUDF-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)(C)CC[N@H+](CC[NH3+])C1CC1 49254491 166350928 /nfs/dbraw/zinc/35/09/28/166350928.db2.gz ASMTVZDFZSCKMA-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)CC[N@@H+](CC[NH3+])C1CC1 49254491 166350930 /nfs/dbraw/zinc/35/09/30/166350930.db2.gz ASMTVZDFZSCKMA-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)C[N@H+]1CCC[C@H](C[NH3+])C1 11888300 166351734 /nfs/dbraw/zinc/35/17/34/166351734.db2.gz WKAJJVURADEUDF-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@H](C[NH3+])C1 40494678 166351991 /nfs/dbraw/zinc/35/19/91/166351991.db2.gz YQGFPQYRDICNNM-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994451 166352036 /nfs/dbraw/zinc/35/20/36/166352036.db2.gz YMIGAYLKGMLDLM-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@@H](C[NH3+])C1 40494679 166352361 /nfs/dbraw/zinc/35/23/61/166352361.db2.gz YQGFPQYRDICNNM-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)(C)C[NH2+]CC[NH2+]C1CC1 40494991 166354497 /nfs/dbraw/zinc/35/44/97/166354497.db2.gz ULLCPKBGOBIYIY-UHFFFAOYSA-N 2 1 170.300 1.374 10 0 ADAEMP CC(C)(C)C[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 41051913 166354670 /nfs/dbraw/zinc/35/46/70/166354670.db2.gz WAYJMXMQAZTXCB-FGWVZKOKSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 53010274 166358621 /nfs/dbraw/zinc/35/86/21/166358621.db2.gz JSLPBCQCXHBHBS-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C)[N@H+]1CCC2(CC[NH2+]CC2)C1 82531069 166358979 /nfs/dbraw/zinc/35/89/79/166358979.db2.gz LHKROOGRPSIYHE-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@@H](CC[NH3+])C1 77264166 166359206 /nfs/dbraw/zinc/35/92/06/166359206.db2.gz RXRQLTJWUDZDJV-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)(C)[N@H+]1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629169 166359750 /nfs/dbraw/zinc/35/97/50/166359750.db2.gz CLEWQPVDDHEQHX-ZACCUICWSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)(C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 54627045 166360154 /nfs/dbraw/zinc/36/01/54/166360154.db2.gz JLYHTXBXEPMQMQ-PBINXNQUSA-N 2 1 182.311 1.739 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@H](CC[NH3+])C1 77264163 166360164 /nfs/dbraw/zinc/36/01/64/166360164.db2.gz RXRQLTJWUDZDJV-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 53010278 166361027 /nfs/dbraw/zinc/36/10/27/166361027.db2.gz JSLPBCQCXHBHBS-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C)[NH2+]C(C)(C)C[NH3+] 75529728 166361837 /nfs/dbraw/zinc/36/18/37/166361837.db2.gz JXAXXWMELIICNI-UHFFFAOYSA-N 2 1 144.262 1.112 10 0 ADAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 53012515 166364917 /nfs/dbraw/zinc/36/49/17/166364917.db2.gz KBRYEQJAIKKPHI-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C)[C@@H]1C[N@H+]2CCC[C@@H]2CN1 77270199 166375529 /nfs/dbraw/zinc/37/55/29/166375529.db2.gz ZOFVPYVMEVJPGS-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)(C)[C@H]([NH3+])C[NH+]1CCCCC1 23067238 166379904 /nfs/dbraw/zinc/37/99/04/166379904.db2.gz HBVFNLLTORWUQS-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)c1c[nH]c(CCC[NH3+])[nH+]1 36876241 166383993 /nfs/dbraw/zinc/38/39/93/166383993.db2.gz LAUZAKHGJYGVDB-UHFFFAOYSA-N 2 1 181.283 1.599 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CC[C@@H]1C2 49716022 166393820 /nfs/dbraw/zinc/39/38/20/166393820.db2.gz TWLBBVBKSYBAQB-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)(C[NH3+])[N@@H+]1CCCSCC1 42443630 166393941 /nfs/dbraw/zinc/39/39/41/166393941.db2.gz QKUVXBXSRXQUPA-UHFFFAOYSA-N 2 1 188.340 1.163 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CCCSCC1 42443630 166393943 /nfs/dbraw/zinc/39/39/43/166393943.db2.gz QKUVXBXSRXQUPA-UHFFFAOYSA-N 2 1 188.340 1.163 10 0 ADAEMP CC(C)(C[NH3+])C[N@H+]1C[C@H]2CC[C@@H]1C2 51253120 166394423 /nfs/dbraw/zinc/39/44/23/166394423.db2.gz PWGRQCQPXDCEAK-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)C1CC([NH2+][C@H]2CC[NH2+]C2)C1 335177029 166432154 /nfs/dbraw/zinc/43/21/54/166432154.db2.gz SGXQJPDEBMJRMF-YVNMAJEFSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)C[N@@H+](C)CCCC[NH3+] 37099091 166455799 /nfs/dbraw/zinc/45/57/99/166455799.db2.gz FSYDCGRKZLOFJZ-UHFFFAOYSA-N 2 1 158.289 1.313 10 0 ADAEMP CC(C)C[C@@H]([NH3+])C[NH+]1CCCCC1 20073664 166487464 /nfs/dbraw/zinc/48/74/64/166487464.db2.gz BJHSBIZQAVXMNG-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@@H+](CCCC[NH3+])CC1CC1 42563214 166513932 /nfs/dbraw/zinc/51/39/32/166513932.db2.gz KENJCULKNJTOOK-UHFFFAOYSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 100246642 166523513 /nfs/dbraw/zinc/52/35/13/166523513.db2.gz WEQKLIQRKVMVTR-VXGBXAGGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[NH2+]C1(C[NH3+])CCCCC1 50270929 166537241 /nfs/dbraw/zinc/53/72/41/166537241.db2.gz CXMHHJKUZVXWQU-UHFFFAOYSA-N 2 1 170.300 1.646 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)C1 50270732 166548055 /nfs/dbraw/zinc/54/80/55/166548055.db2.gz LBWPVSRJRLSTLJ-MNOVXSKESA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCCSC1 61590293 166550485 /nfs/dbraw/zinc/55/04/85/166550485.db2.gz JUWSCIHYNAJAQH-VIFPVBQESA-N 2 1 188.340 1.209 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCCC[C@H]1C 50270744 166550954 /nfs/dbraw/zinc/55/09/54/166550954.db2.gz GWAFGBQBBRAUFK-MNOVXSKESA-N 2 1 184.327 1.892 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@H](C)C(N)=[NH2+] 49832569 166644557 /nfs/dbraw/zinc/64/45/57/166644557.db2.gz DFUBDPBAHICOSP-SSDOTTSWSA-N 2 1 180.255 1.503 10 0 ADAEMP CC(C)c1[nH+]cn2c1CC[C@@H]2CC[NH3+] 82387814 166644566 /nfs/dbraw/zinc/64/45/66/166644566.db2.gz JJUSBVSJRKWFHE-SECBINFHSA-N 2 1 193.294 1.843 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 45137722 166692402 /nfs/dbraw/zinc/69/24/02/166692402.db2.gz GIYGSXIWLKRQPY-VHSXEESVSA-N 2 1 182.311 1.517 10 0 ADAEMP CC1=CC[N@@H+](CC2CC[NH2+]CC2)CC1 75423267 166726056 /nfs/dbraw/zinc/72/60/56/166726056.db2.gz MLUKTGHQSKLDRT-UHFFFAOYSA-N 2 1 194.322 1.638 10 0 ADAEMP CCC[N@@H+](C)CC[C@H]1CCC[NH2+]1 42172007 166942185 /nfs/dbraw/zinc/94/21/85/166942185.db2.gz WNHBPXZHGRGSMX-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[NH2+]C(CC)(CC)C[NH3+] 50270406 166982377 /nfs/dbraw/zinc/98/23/77/166982377.db2.gz BVGDTTSOXKPFKI-UHFFFAOYSA-N 2 1 158.289 1.504 10 0 ADAEMP CCC[NH2+]CCCn1c[nH+]c(C)c1C 51927759 166987641 /nfs/dbraw/zinc/98/76/41/166987641.db2.gz NYPQWUYPQXOMGW-UHFFFAOYSA-N 2 1 195.310 1.890 10 0 ADAEMP CCC[NH2+]CC[N@H+](C)C1CCCC1 44380669 166987656 /nfs/dbraw/zinc/98/76/56/166987656.db2.gz HAAVUIXXEYHVAF-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[NH2+]CC[N@@H+](C)C1CCCC1 44380669 166987658 /nfs/dbraw/zinc/98/76/58/166987658.db2.gz HAAVUIXXEYHVAF-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[NH2+]CCn1cc[nH+]c1C 42409836 166989430 /nfs/dbraw/zinc/98/94/30/166989430.db2.gz YOQLUHNRZQPNHA-UHFFFAOYSA-N 2 1 167.256 1.191 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])Cc1ccccc1 50270575 166994733 /nfs/dbraw/zinc/99/47/33/166994733.db2.gz SWDLBFNBQMKYCS-GFCCVEGCSA-N 2 1 192.306 1.556 10 0 ADAEMP CCC[NH2+][C@@H](C[NH3+])[C@@H](C)CCC 50270703 166995650 /nfs/dbraw/zinc/99/56/50/166995650.db2.gz UCDPBKVLZJICRS-UWVGGRQHSA-N 2 1 172.316 1.750 10 0 ADAEMP CCC[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C 50270408 166998557 /nfs/dbraw/zinc/99/85/57/166998557.db2.gz NGUNMCDRBCGBCT-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[NH2+][C@H](C)CC[N@@H+](C)C1CC1 43823891 166999906 /nfs/dbraw/zinc/99/99/06/166999906.db2.gz JKWZPLVLPHSWRD-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C)[C@H](C)[N@H+](C)CC 43821217 167000052 /nfs/dbraw/zinc/00/00/52/167000052.db2.gz HDUACJLWQUKUSS-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)[C@H](C)[N@@H+](C)CC 43821217 167000053 /nfs/dbraw/zinc/00/00/53/167000053.db2.gz HDUACJLWQUKUSS-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)Cn1cc[nH+]c1C 43993713 167000071 /nfs/dbraw/zinc/00/00/71/167000071.db2.gz UIZNYTYYDHCCNM-SECBINFHSA-N 2 1 181.283 1.580 10 0 ADAEMP CCC[NH2+][C@H](C)Cn1cc[nH+]c1CC 44036021 167000181 /nfs/dbraw/zinc/00/01/81/167000181.db2.gz CUBAQSJGUGCKPE-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+](C)C(C)C 43813740 167000188 /nfs/dbraw/zinc/00/01/88/167000188.db2.gz HHHDNNLSFKOCCJ-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+](C)C(C)C 43813740 167000191 /nfs/dbraw/zinc/00/01/91/167000191.db2.gz HHHDNNLSFKOCCJ-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H]1C 43903719 167000221 /nfs/dbraw/zinc/00/02/21/167000221.db2.gz LGGWZZDXHLIQMO-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+]1CCC[C@@H]1C 43903719 167000223 /nfs/dbraw/zinc/00/02/23/167000223.db2.gz LGGWZZDXHLIQMO-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 37208457 167000489 /nfs/dbraw/zinc/00/04/89/167000489.db2.gz MAWIPMKLJXLXAK-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@H](C)CCn1cc[nH+]c1C 43993709 167000579 /nfs/dbraw/zinc/00/05/79/167000579.db2.gz ADVPCVBAQAVJDW-SNVBAGLBSA-N 2 1 195.310 1.970 10 0 ADAEMP CCC[NH2+][C@H](C)CC[N@@H+](C)CC 43821155 167000587 /nfs/dbraw/zinc/00/05/87/167000587.db2.gz PWSCUZPKUKVDFH-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@H+](C)CC 43821211 167000722 /nfs/dbraw/zinc/00/07/22/167000722.db2.gz HDUACJLWQUKUSS-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)CC 43821211 167000726 /nfs/dbraw/zinc/00/07/26/167000726.db2.gz HDUACJLWQUKUSS-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](CC)Cn1cc[nH+]c1C 50180211 167001102 /nfs/dbraw/zinc/00/11/02/167001102.db2.gz CWVVJQSIMIRXIY-LLVKDONJSA-N 2 1 195.310 1.970 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@H+](C)CCC 43886353 167001163 /nfs/dbraw/zinc/00/11/63/167001163.db2.gz LPFYCZMVFIKVBB-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+][C@H](C)C[N@@H+](C)CCC 43886353 167001164 /nfs/dbraw/zinc/00/11/64/167001164.db2.gz LPFYCZMVFIKVBB-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](C)CC 43820830 167001834 /nfs/dbraw/zinc/00/18/34/167001834.db2.gz JUPWIDROVJZRIW-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CC 43820830 167001836 /nfs/dbraw/zinc/00/18/36/167001836.db2.gz JUPWIDROVJZRIW-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@H](C)CCC 50270700 167001938 /nfs/dbraw/zinc/00/19/38/167001938.db2.gz UCDPBKVLZJICRS-NXEZZACHSA-N 2 1 172.316 1.750 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 36997060 167001967 /nfs/dbraw/zinc/00/19/67/167001967.db2.gz FIRIUWVICGCWRT-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@@H](C)CC 50270644 167002032 /nfs/dbraw/zinc/00/20/32/167002032.db2.gz GJUBTSHQHKSOPD-DTWKUNHWSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])CCC 50270572 167002035 /nfs/dbraw/zinc/00/20/35/167002035.db2.gz VHPOBRRSPJCIDZ-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@H](C)CC 50270646 167002190 /nfs/dbraw/zinc/00/21/90/167002190.db2.gz GJUBTSHQHKSOPD-RKDXNWHRSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])C(CC)CC 50270569 167002238 /nfs/dbraw/zinc/00/22/38/167002238.db2.gz AFPRMYRZURHNCB-SNVBAGLBSA-N 2 1 172.316 1.750 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])[C@@H](C)CCC 50270701 167002313 /nfs/dbraw/zinc/00/23/13/167002313.db2.gz UCDPBKVLZJICRS-VHSXEESVSA-N 2 1 172.316 1.750 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@H+](C2CC2)C[C@@H]1C 49708980 167003361 /nfs/dbraw/zinc/00/33/61/167003361.db2.gz QKLALEQHONKPKL-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])Cc1ccccc1 50270574 167003407 /nfs/dbraw/zinc/00/34/07/167003407.db2.gz SWDLBFNBQMKYCS-LBPRGKRZSA-N 2 1 192.306 1.556 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])CC(C)C 50270556 167003759 /nfs/dbraw/zinc/00/37/59/167003759.db2.gz YCOVVHNSSXFBPS-VIFPVBQESA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[NH2+][C@H]1CCC[N@@H+](C)CC1 76598297 167003823 /nfs/dbraw/zinc/00/38/23/167003823.db2.gz VXGFFRAXTRWGQW-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CC 43820825 167003876 /nfs/dbraw/zinc/00/38/76/167003876.db2.gz JUPWIDROVJZRIW-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CC 43820825 167003877 /nfs/dbraw/zinc/00/38/77/167003877.db2.gz JUPWIDROVJZRIW-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])CCSC 50270671 167004129 /nfs/dbraw/zinc/00/41/29/167004129.db2.gz ZNTZZZLYZGQAGW-QMMMGPOBSA-N 2 1 176.329 1.066 10 0 ADAEMP CCC[NH2+][C@](C)(C[NH3+])CCC 50270603 167005789 /nfs/dbraw/zinc/00/57/89/167005789.db2.gz KXBDUXQMESIAOL-VIFPVBQESA-N 2 1 158.289 1.504 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@@H](C)C1 50270395 167006110 /nfs/dbraw/zinc/00/61/10/167006110.db2.gz PZLSYYDOLFNWCG-GHMZBOCLSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[NH2+][C@](C)(C[NH3+])CC(C)C 50270423 167006138 /nfs/dbraw/zinc/00/61/38/167006138.db2.gz UFASQDRERKDJQX-JTQLQIEISA-N 2 1 172.316 1.750 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCC[C@H](C)C1 50270393 167006327 /nfs/dbraw/zinc/00/63/27/167006327.db2.gz PZLSYYDOLFNWCG-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCCSC1 61590291 167006348 /nfs/dbraw/zinc/00/63/48/167006348.db2.gz WDYBFZAUYQAAOH-VIFPVBQESA-N 2 1 188.340 1.211 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C 50270407 167006473 /nfs/dbraw/zinc/00/64/73/167006473.db2.gz NGUNMCDRBCGBCT-QWRGUYRKSA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[NH2+][C@]1(C[NH3+])CCCC[C@H]1C 50270409 167006682 /nfs/dbraw/zinc/00/66/82/167006682.db2.gz NGUNMCDRBCGBCT-MNOVXSKESA-N 2 1 184.327 1.894 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)CCC[NH3+] 51297681 167028557 /nfs/dbraw/zinc/02/85/57/167028557.db2.gz KLQYIANFCMFHRV-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[C@@H](C)C[N@H+](C)CC[NH2+]CC 51321048 167029862 /nfs/dbraw/zinc/02/98/62/167029862.db2.gz XQMITKRMQAFJFI-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)CC[NH2+]CC 51321048 167029864 /nfs/dbraw/zinc/02/98/64/167029864.db2.gz XQMITKRMQAFJFI-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@@H](C)C[N@H+](C)CC[NH2+]C 51320996 167030092 /nfs/dbraw/zinc/03/00/92/167030092.db2.gz GORZNLITCLCUFJ-SNVBAGLBSA-N 2 1 172.316 1.574 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)CC[NH2+]C 51320996 167030096 /nfs/dbraw/zinc/03/00/96/167030096.db2.gz GORZNLITCLCUFJ-SNVBAGLBSA-N 2 1 172.316 1.574 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 51320857 167030640 /nfs/dbraw/zinc/03/06/40/167030640.db2.gz BALPDRONLIQWNE-NXEZZACHSA-N 2 1 199.342 1.926 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)CCC(N)=[NH2+] 51320846 167030700 /nfs/dbraw/zinc/03/07/00/167030700.db2.gz YDTTVOGEVOCTGG-SECBINFHSA-N 2 1 185.315 1.680 10 0 ADAEMP CCC[C@@H](C)C[N@@H+](C)C[C@@H](C)C[NH3+] 51297832 167030859 /nfs/dbraw/zinc/03/08/59/167030859.db2.gz GMUPABBXJHFFIU-MNOVXSKESA-N 2 1 186.343 1.949 10 0 ADAEMP CCC[C@@H](C)[N@H+](C)CC[NH2+]CC 44380991 167031552 /nfs/dbraw/zinc/03/15/52/167031552.db2.gz SWJTWHAYHLEUHG-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CC[NH2+]CC 44380991 167031554 /nfs/dbraw/zinc/03/15/54/167031554.db2.gz SWJTWHAYHLEUHG-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 19430333 167031631 /nfs/dbraw/zinc/03/16/31/167031631.db2.gz GOBKASBERBCZDS-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)CCC[NH2+]C 42409623 167031966 /nfs/dbraw/zinc/03/19/66/167031966.db2.gz DVEMITZGQCWEGZ-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 34651168 167032029 /nfs/dbraw/zinc/03/20/29/167032029.db2.gz GOBKASBERBCZDS-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1 36790855 167032065 /nfs/dbraw/zinc/03/20/65/167032065.db2.gz FICJOLAYGXIBGX-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1 37241031 167032451 /nfs/dbraw/zinc/03/24/51/167032451.db2.gz HRRPJHJABVCURR-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@H]([NH2+]C)C1 37241031 167032453 /nfs/dbraw/zinc/03/24/53/167032453.db2.gz HRRPJHJABVCURR-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37241046 167033356 /nfs/dbraw/zinc/03/33/56/167033356.db2.gz SWTPZMPXDZOYIZ-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 37241046 167033360 /nfs/dbraw/zinc/03/33/60/167033360.db2.gz SWTPZMPXDZOYIZ-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H](C)[C@H](C[NH3+])[NH2+]CC 50270365 167037779 /nfs/dbraw/zinc/03/77/79/167037779.db2.gz MOFHMHINQQJGFR-BDAKNGLRSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@H+](CC)CCOC 42492628 167040568 /nfs/dbraw/zinc/04/05/68/167040568.db2.gz DFMOEXRLOZBEIG-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@H](C[NH3+])[N@@H+](CC)CCOC 42492628 167040570 /nfs/dbraw/zinc/04/05/70/167040570.db2.gz DFMOEXRLOZBEIG-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@H](C[N@H+](C)C(C)C)[NH2+]C 50184489 167040928 /nfs/dbraw/zinc/04/09/28/167040928.db2.gz OJYLQZPQGHRYSV-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[C@@H](C[N@@H+](C)C(C)C)[NH2+]C 50184489 167040930 /nfs/dbraw/zinc/04/09/30/167040930.db2.gz OJYLQZPQGHRYSV-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[C@@H](C[N@H+](C)CC(C)C)[NH2+]C 50184814 167040997 /nfs/dbraw/zinc/04/09/97/167040997.db2.gz XLUVFHPXQWFIOZ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[C@@H](C[N@@H+](C)CC(C)C)[NH2+]C 50184814 167040999 /nfs/dbraw/zinc/04/09/99/167040999.db2.gz XLUVFHPXQWFIOZ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[C@@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]C 50185056 167041293 /nfs/dbraw/zinc/04/12/93/167041293.db2.gz WZLHMJUZOMNJNL-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[N@H+]1CCC[C@@H]1C)[NH2+]C 50185056 167041297 /nfs/dbraw/zinc/04/12/97/167041297.db2.gz WZLHMJUZOMNJNL-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H](C[NH+]1CCCC1)[NH2+]C 50184399 167041449 /nfs/dbraw/zinc/04/14/49/167041449.db2.gz YYJUNCQFKGIDNG-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[C@@H](C[N@H+](C)CCC)[NH2+]C 50184805 167041573 /nfs/dbraw/zinc/04/15/73/167041573.db2.gz AUIQQYOJNLILFC-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@@H](C[N@@H+](C)CCC)[NH2+]C 50184805 167041575 /nfs/dbraw/zinc/04/15/75/167041575.db2.gz AUIQQYOJNLILFC-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@@H](C[N@H+](C)CC1CC1)[NH2+]C 50185074 167042263 /nfs/dbraw/zinc/04/22/63/167042263.db2.gz UWCHVHVZEIWWDS-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H](C[N@@H+](C)CC1CC1)[NH2+]C 50185074 167042266 /nfs/dbraw/zinc/04/22/66/167042266.db2.gz UWCHVHVZEIWWDS-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH2+]C(C)C 50270907 167042303 /nfs/dbraw/zinc/04/23/03/167042303.db2.gz DWGWNDCHEMJRKG-QMMMGPOBSA-N 2 1 144.262 1.112 10 0 ADAEMP CCC[C@@H](C[NH+]1CCCC1)[NH2+]CC 50184401 167042381 /nfs/dbraw/zinc/04/23/81/167042381.db2.gz KXKFBSSAYMCPOV-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@@H](C[NH3+])[NH+]1CCCC1 19256680 167042435 /nfs/dbraw/zinc/04/24/35/167042435.db2.gz XWHDQSHWYKIPNN-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[C@@H](C[NH+]1CCCCC1)[NH2+]C 50184500 167042506 /nfs/dbraw/zinc/04/25/06/167042506.db2.gz ZOJNZHFIQBYWHM-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@@H](C[NH+](CC)CC)[NH2+]C 50184416 167042559 /nfs/dbraw/zinc/04/25/59/167042559.db2.gz QPXTVSNKGJMABX-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@@H](Cn1cc[nH+]c1C)[NH2+]C 50185888 167043207 /nfs/dbraw/zinc/04/32/07/167043207.db2.gz KEPZSKZPVQJNTR-JTQLQIEISA-N 2 1 181.283 1.580 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+](C)CC 36873623 167043473 /nfs/dbraw/zinc/04/34/73/167043473.db2.gz UGJUADDZMMFFIA-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@@H+](C)CC 36873623 167043474 /nfs/dbraw/zinc/04/34/74/167043474.db2.gz UGJUADDZMMFFIA-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[C@@H](Cn1c[nH+]c(C)c1C)[NH2+]C 51926262 167043791 /nfs/dbraw/zinc/04/37/91/167043791.db2.gz PEYHSSIVWSWNJN-NSHDSACASA-N 2 1 195.310 1.888 10 0 ADAEMP CCC[C@@H](Cn1cc[nH+]c1CC)[NH2+]C 50186249 167044485 /nfs/dbraw/zinc/04/44/85/167044485.db2.gz YGYRTMNZUHHNFH-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CCC[C@@H](Cn1cc[nH+]c1C)[NH2+]CC 50185886 167045217 /nfs/dbraw/zinc/04/52/17/167045217.db2.gz WYAJGPNVHJQKPZ-NSHDSACASA-N 2 1 195.310 1.970 10 0 ADAEMP CCC[C@@H]([NH3+])C[NH2+]Cc1ccccc1 40409790 167045626 /nfs/dbraw/zinc/04/56/26/167045626.db2.gz VGIKMTSWIKGMNX-GFCCVEGCSA-N 2 1 192.306 1.904 10 0 ADAEMP CCC[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C 37911207 167045837 /nfs/dbraw/zinc/04/58/37/167045837.db2.gz ZAMMRPQSNBKLCJ-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H]([NH3+])Cn1cc[nH+]c1CC 50186244 167046441 /nfs/dbraw/zinc/04/64/41/167046441.db2.gz JCVLYSHQDUYHAV-SECBINFHSA-N 2 1 181.283 1.573 10 0 ADAEMP CCC[C@@H]([NH3+])Cn1c[nH+]c(C)c1C 51926257 167047048 /nfs/dbraw/zinc/04/70/48/167047048.db2.gz XGJQRNOJPRSICR-SNVBAGLBSA-N 2 1 181.283 1.627 10 0 ADAEMP CCC[C@@H]([NH3+])Cn1cc[nH+]c1C 50185883 167047619 /nfs/dbraw/zinc/04/76/19/167047619.db2.gz QIIQOZALTSBOCW-SECBINFHSA-N 2 1 167.256 1.319 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](CCN)C1 77261025 167054298 /nfs/dbraw/zinc/05/42/98/167054298.db2.gz ORNPSRAJNWEAKH-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](CC[NH3+])C1 77261025 167054304 /nfs/dbraw/zinc/05/43/04/167054304.db2.gz ORNPSRAJNWEAKH-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[NH2+]C(C)C 50270939 167057530 /nfs/dbraw/zinc/05/75/30/167057530.db2.gz WWATUUBCMYNXQR-VIFPVBQESA-N 2 1 158.289 1.502 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[N@H+](C)CCOC 42458798 167057800 /nfs/dbraw/zinc/05/78/00/167057800.db2.gz KDBOKSKKVLPMDT-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@](C)(C[NH3+])[N@@H+](C)CCOC 42458798 167057804 /nfs/dbraw/zinc/05/78/04/167057804.db2.gz KDBOKSKKVLPMDT-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@](C)([NH3+])C[NH+](C)C 37480894 167058047 /nfs/dbraw/zinc/05/80/47/167058047.db2.gz KLZGYOBXDCHPRC-MRVPVSSYSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@H+]1CCC[C@@H]1C 37911225 167058264 /nfs/dbraw/zinc/05/82/64/167058264.db2.gz ISPMFFLBUAQLPI-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@@](C)(C[NH3+])C[N@@H+](C)CC 51214958 167060228 /nfs/dbraw/zinc/06/02/28/167060228.db2.gz IQUFJEQKDUINNJ-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[C@@](C)(C[NH2+]C)C[N@@H+](C)CC 51214928 167060241 /nfs/dbraw/zinc/06/02/41/167060241.db2.gz WMDLYMFHBCGKGA-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@@](C)(C[NH3+])C[N@@H+](C)C1CC1 51215150 167060286 /nfs/dbraw/zinc/06/02/86/167060286.db2.gz FEUZQHMFCWSXSY-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@H+](C)CCOC 42460341 167060325 /nfs/dbraw/zinc/06/03/25/167060325.db2.gz HZXKSLDVIHZFOP-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@@H+](C)CCOC 42460341 167060326 /nfs/dbraw/zinc/06/03/26/167060326.db2.gz HZXKSLDVIHZFOP-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@@]1(C[NH3+])CC[N@@H+](C)C1 77261032 167062508 /nfs/dbraw/zinc/06/25/08/167062508.db2.gz GUOBGHWFPGGLMA-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[C@@]1(C[NH3+])CCC[N@@H+](C)C1 77264108 167062693 /nfs/dbraw/zinc/06/26/93/167062693.db2.gz HZVUXADEVYXQIC-JTQLQIEISA-N 2 1 170.300 1.457 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)C[C@@H](C)C(N)=[NH2+] 51320858 167063678 /nfs/dbraw/zinc/06/36/78/167063678.db2.gz BALPDRONLIQWNE-VHSXEESVSA-N 2 1 199.342 1.926 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)C[C@@H](C)C[NH3+] 51297833 167063845 /nfs/dbraw/zinc/06/38/45/167063845.db2.gz GMUPABBXJHFFIU-QWRGUYRKSA-N 2 1 186.343 1.949 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)CCC(N)=[NH2+] 51320848 167064197 /nfs/dbraw/zinc/06/41/97/167064197.db2.gz YDTTVOGEVOCTGG-VIFPVBQESA-N 2 1 185.315 1.680 10 0 ADAEMP CCC[C@H](C)C[N@H+](C)CC[NH2+]CC 51321050 167064213 /nfs/dbraw/zinc/06/42/13/167064213.db2.gz XQMITKRMQAFJFI-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)CC[NH2+]CC 51321050 167064214 /nfs/dbraw/zinc/06/42/14/167064214.db2.gz XQMITKRMQAFJFI-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)CCC[NH3+] 51297683 167064914 /nfs/dbraw/zinc/06/49/14/167064914.db2.gz KLQYIANFCMFHRV-JTQLQIEISA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[C@H](C)C[N@H+](C)CC[NH2+]C 51320998 167065197 /nfs/dbraw/zinc/06/51/97/167065197.db2.gz GORZNLITCLCUFJ-JTQLQIEISA-N 2 1 172.316 1.574 10 0 ADAEMP CCC[C@H](C)C[N@@H+](C)CC[NH2+]C 51320998 167065198 /nfs/dbraw/zinc/06/51/98/167065198.db2.gz GORZNLITCLCUFJ-JTQLQIEISA-N 2 1 172.316 1.574 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CCC[NH2+]C 42409624 167066862 /nfs/dbraw/zinc/06/68/62/167066862.db2.gz DVEMITZGQCWEGZ-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37241048 167067384 /nfs/dbraw/zinc/06/73/84/167067384.db2.gz SWTPZMPXDZOYIZ-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 37241048 167067385 /nfs/dbraw/zinc/06/73/85/167067385.db2.gz SWTPZMPXDZOYIZ-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C1CC[NH2+]CC1 36790856 167067777 /nfs/dbraw/zinc/06/77/77/167067777.db2.gz FICJOLAYGXIBGX-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 34651169 167067929 /nfs/dbraw/zinc/06/79/29/167067929.db2.gz GOBKASBERBCZDS-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1 37241033 167068766 /nfs/dbraw/zinc/06/87/66/167068766.db2.gz HRRPJHJABVCURR-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)C1 37241033 167068769 /nfs/dbraw/zinc/06/87/69/167068769.db2.gz HRRPJHJABVCURR-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 19430335 167068795 /nfs/dbraw/zinc/06/87/95/167068795.db2.gz GOBKASBERBCZDS-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)[N@H+](C)CC[NH2+]CC 44380996 167068871 /nfs/dbraw/zinc/06/88/71/167068871.db2.gz SWJTWHAYHLEUHG-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)CC[NH2+]CC 44380996 167068873 /nfs/dbraw/zinc/06/88/73/167068873.db2.gz SWJTWHAYHLEUHG-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@H](C)[C@H](C[NH3+])[NH2+]CC 50270366 167072761 /nfs/dbraw/zinc/07/27/61/167072761.db2.gz MOFHMHINQQJGFR-IUCAKERBSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[C@H](C)[C@@H](C[NH3+])[NH2+]CC 50270364 167073256 /nfs/dbraw/zinc/07/32/56/167073256.db2.gz MOFHMHINQQJGFR-DTWKUNHWSA-N 2 1 158.289 1.359 10 0 ADAEMP CCC[C@H](C[N@H+](C)C(C)C)[NH2+]C 50184490 167075132 /nfs/dbraw/zinc/07/51/32/167075132.db2.gz OJYLQZPQGHRYSV-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[C@H](C[N@@H+](C)C(C)C)[NH2+]C 50184490 167075133 /nfs/dbraw/zinc/07/51/33/167075133.db2.gz OJYLQZPQGHRYSV-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[C@H](C[NH+](CC)CC)[NH2+]C 50184417 167076528 /nfs/dbraw/zinc/07/65/28/167076528.db2.gz QPXTVSNKGJMABX-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@H](C[N@H+](C)CC(C)C)[NH2+]C 50184815 167076815 /nfs/dbraw/zinc/07/68/15/167076815.db2.gz XLUVFHPXQWFIOZ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[C@H](C[N@@H+](C)CC(C)C)[NH2+]C 50184815 167076817 /nfs/dbraw/zinc/07/68/17/167076817.db2.gz XLUVFHPXQWFIOZ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[C@H](C[N@H+](C)CC1CC1)[NH2+]C 50185075 167076913 /nfs/dbraw/zinc/07/69/13/167076913.db2.gz UWCHVHVZEIWWDS-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C[N@@H+](C)CC1CC1)[NH2+]C 50185075 167076916 /nfs/dbraw/zinc/07/69/16/167076916.db2.gz UWCHVHVZEIWWDS-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[C@H](C[N@H+](C)CCC)[NH2+]C 50184806 167077306 /nfs/dbraw/zinc/07/73/06/167077306.db2.gz AUIQQYOJNLILFC-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@H](C[N@@H+](C)CCC)[NH2+]C 50184806 167077310 /nfs/dbraw/zinc/07/73/10/167077310.db2.gz AUIQQYOJNLILFC-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[C@H](C[NH3+])[N@H+](CC)CCOC 42492629 167077673 /nfs/dbraw/zinc/07/76/73/167077673.db2.gz DFMOEXRLOZBEIG-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@H](C[NH3+])[N@@H+](CC)CCOC 42492629 167077675 /nfs/dbraw/zinc/07/76/75/167077675.db2.gz DFMOEXRLOZBEIG-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@H](Cn1c[nH+]c(C)c1C)[NH2+]C 51926263 167077690 /nfs/dbraw/zinc/07/76/90/167077690.db2.gz PEYHSSIVWSWNJN-LLVKDONJSA-N 2 1 195.310 1.888 10 0 ADAEMP CCC[C@H](C[NH+]1CCCC1)[NH2+]C 50184400 167077726 /nfs/dbraw/zinc/07/77/26/167077726.db2.gz YYJUNCQFKGIDNG-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[C@H](C[NH+]1CCCC1)[NH2+]CC 50184402 167078618 /nfs/dbraw/zinc/07/86/18/167078618.db2.gz KXKFBSSAYMCPOV-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@H](Cn1cc[nH+]c1CC)[NH2+]C 50186250 167078650 /nfs/dbraw/zinc/07/86/50/167078650.db2.gz YGYRTMNZUHHNFH-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CCC[C@H](Cn1cc[nH+]c1C)[NH2+]C 50185889 167079009 /nfs/dbraw/zinc/07/90/09/167079009.db2.gz KEPZSKZPVQJNTR-SNVBAGLBSA-N 2 1 181.283 1.580 10 0 ADAEMP CCC[C@H](C[NH3+])[NH+]1CCCC1 19256682 167079316 /nfs/dbraw/zinc/07/93/16/167079316.db2.gz XWHDQSHWYKIPNN-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[C@H](Cn1cc[nH+]c1C)[NH2+]CC 50185887 167079383 /nfs/dbraw/zinc/07/93/83/167079383.db2.gz WYAJGPNVHJQKPZ-LLVKDONJSA-N 2 1 195.310 1.970 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+](C)CC 36873622 167079768 /nfs/dbraw/zinc/07/97/68/167079768.db2.gz UGJUADDZMMFFIA-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[C@H]([NH3+])C[N@@H+](C)CC 36873622 167079770 /nfs/dbraw/zinc/07/97/70/167079770.db2.gz UGJUADDZMMFFIA-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[C@H](C[NH+]1CCCCC1)[NH2+]C 50184501 167080046 /nfs/dbraw/zinc/08/00/46/167080046.db2.gz ZOJNZHFIQBYWHM-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[C@H](C[N@@H+]1CCC[C@@H]1C)[NH2+]C 50185057 167080165 /nfs/dbraw/zinc/08/01/65/167080165.db2.gz WZLHMJUZOMNJNL-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C[N@H+]1CCC[C@@H]1C)[NH2+]C 50185057 167080169 /nfs/dbraw/zinc/08/01/69/167080169.db2.gz WZLHMJUZOMNJNL-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@H](C[NH3+])[NH2+]C(C)C 50270908 167080513 /nfs/dbraw/zinc/08/05/13/167080513.db2.gz DWGWNDCHEMJRKG-MRVPVSSYSA-N 2 1 144.262 1.112 10 0 ADAEMP CCC[C@H]([NH3+])Cn1c[nH+]c(C)c1C 51926256 167081235 /nfs/dbraw/zinc/08/12/35/167081235.db2.gz XGJQRNOJPRSICR-JTQLQIEISA-N 2 1 181.283 1.627 10 0 ADAEMP CCC[C@H]([NH3+])Cn1cc[nH+]c1CC 50186243 167081508 /nfs/dbraw/zinc/08/15/08/167081508.db2.gz JCVLYSHQDUYHAV-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP CCC[C@H]([NH3+])Cn1cc[nH+]c1C 50185882 167082054 /nfs/dbraw/zinc/08/20/54/167082054.db2.gz QIIQOZALTSBOCW-VIFPVBQESA-N 2 1 167.256 1.319 10 0 ADAEMP CCC[C@H]([NH3+])C[NH2+]Cc1ccccc1 40409786 167083495 /nfs/dbraw/zinc/08/34/95/167083495.db2.gz VGIKMTSWIKGMNX-LBPRGKRZSA-N 2 1 192.306 1.904 10 0 ADAEMP CCC[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C 37911206 167083835 /nfs/dbraw/zinc/08/38/35/167083835.db2.gz ZAMMRPQSNBKLCJ-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@H]1CC[N@@H+](CCN)C1 77261026 167088444 /nfs/dbraw/zinc/08/84/44/167088444.db2.gz ORNPSRAJNWEAKH-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[C@H]1CC[N@@H+](CC[NH3+])C1 77261026 167088447 /nfs/dbraw/zinc/08/84/47/167088447.db2.gz ORNPSRAJNWEAKH-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CCC[C@H]1C[N@@H+](C)CC[C@H]1[NH3+] 6780158 167089237 /nfs/dbraw/zinc/08/92/37/167089237.db2.gz VNUDFYNTLXVVQI-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[C@](C)(C[NH3+])C[N@@H+](C)C1CC1 51215151 167092250 /nfs/dbraw/zinc/09/22/50/167092250.db2.gz FEUZQHMFCWSXSY-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[C@](C)(C[NH3+])C[N@@H+](C)CC 51214959 167092444 /nfs/dbraw/zinc/09/24/44/167092444.db2.gz IQUFJEQKDUINNJ-SNVBAGLBSA-N 2 1 172.316 1.703 10 0 ADAEMP CCC[C@](C)(C[NH2+]C)C[N@@H+](C)CC 51214929 167092698 /nfs/dbraw/zinc/09/26/98/167092698.db2.gz WMDLYMFHBCGKGA-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@H+]1CCC[C@@H]1C 37911224 167093013 /nfs/dbraw/zinc/09/30/13/167093013.db2.gz ISPMFFLBUAQLPI-QWRGUYRKSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@H+](C)CCOC 42460339 167093456 /nfs/dbraw/zinc/09/34/56/167093456.db2.gz HZXKSLDVIHZFOP-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@@H+](C)CCOC 42460339 167093461 /nfs/dbraw/zinc/09/34/61/167093461.db2.gz HZXKSLDVIHZFOP-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]C(C)C 50270940 167093757 /nfs/dbraw/zinc/09/37/57/167093757.db2.gz WWATUUBCMYNXQR-SECBINFHSA-N 2 1 158.289 1.502 10 0 ADAEMP CCC[C@](C)([NH3+])C[NH+](C)C 37480893 167094024 /nfs/dbraw/zinc/09/40/24/167094024.db2.gz KLZGYOBXDCHPRC-QMMMGPOBSA-N 2 1 144.262 1.066 10 0 ADAEMP CCC[C@](C)(C[NH3+])[N@H+](C)CCOC 42458800 167094123 /nfs/dbraw/zinc/09/41/23/167094123.db2.gz KDBOKSKKVLPMDT-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@](C)(C[NH3+])[N@@H+](C)CCOC 42458800 167094126 /nfs/dbraw/zinc/09/41/26/167094126.db2.gz KDBOKSKKVLPMDT-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCC[C@]1(C[NH3+])CCC[N@@H+](C)C1 77264105 167095610 /nfs/dbraw/zinc/09/56/10/167095610.db2.gz HZVUXADEVYXQIC-SNVBAGLBSA-N 2 1 170.300 1.457 10 0 ADAEMP CCC[C@]1(C[NH3+])CC[N@@H+](C)C1 77261030 167097094 /nfs/dbraw/zinc/09/70/94/167097094.db2.gz GUOBGHWFPGGLMA-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CN[C@@H](C)C[N@H+]1[C@@H](C)CCC[C@H]1C 134167526 343935650 /nfs/dbraw/zinc/93/56/50/343935650.db2.gz CISCXVYDCLZYRF-GARJFASQSA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@@H+](CC)[C@H](C)C1 49708967 167003105 /nfs/dbraw/zinc/00/31/05/167003105.db2.gz BJAWYUUOTGPVGF-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@](C)(CC)C[NH3+] 50270398 167003180 /nfs/dbraw/zinc/00/31/80/167003180.db2.gz UQSPQQZRYPNVKV-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP CCCc1[nH]cc(C2CC[NH2+]CC2)[nH+]1 82516934 167111445 /nfs/dbraw/zinc/11/14/45/167111445.db2.gz LYBUSDDZNJCVFC-UHFFFAOYSA-N 2 1 193.294 1.829 10 0 ADAEMP CCCn1c(C)c[nH+]c1[C@H]1CC[NH2+]C1 169676610 167117597 /nfs/dbraw/zinc/11/75/97/167117597.db2.gz DPQHJEBZFNHBOI-JTQLQIEISA-N 2 1 193.294 1.678 10 0 ADAEMP CCCn1c(C)c[nH+]c1[C@@H]1CC[NH2+]C1 169676609 167117951 /nfs/dbraw/zinc/11/79/51/167117951.db2.gz DPQHJEBZFNHBOI-SNVBAGLBSA-N 2 1 193.294 1.678 10 0 ADAEMP CCN(C(C)C)[C@H](C)[C@@H](C)[NH3+] 41053789 167129429 /nfs/dbraw/zinc/12/94/29/167129429.db2.gz KUVHKDXOVSRBNR-RKDXNWHRSA-N 2 1 158.289 1.452 10 0 ADAEMP CCN(C(C)C)[C@@H]1CCC[C@@H]1[NH3+] 37082067 167129445 /nfs/dbraw/zinc/12/94/45/167129445.db2.gz HKZQTGDKPWPZSB-VHSXEESVSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H](C)[C@@H](C)NC 43824347 167129473 /nfs/dbraw/zinc/12/94/73/167129473.db2.gz XCVSQHWNNHRLQJ-ZJUUUORDSA-N 2 1 172.316 1.713 10 0 ADAEMP CCN(C(C)C)[C@@H](C)[C@@H](C)[NH3+] 41053788 167130543 /nfs/dbraw/zinc/13/05/43/167130543.db2.gz KUVHKDXOVSRBNR-BDAKNGLRSA-N 2 1 158.289 1.452 10 0 ADAEMP CCN(C(C)C)[C@H]1CCC[C@@H]1[NH3+] 37082068 167130611 /nfs/dbraw/zinc/13/06/11/167130611.db2.gz HKZQTGDKPWPZSB-UWVGGRQHSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CCCC[C@@H]1N 37082129 167131392 /nfs/dbraw/zinc/13/13/92/167131392.db2.gz JKYRLRJKMJMDAA-QWRGUYRKSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CCC[C@@H]1NC 43824011 167131408 /nfs/dbraw/zinc/13/14/08/167131408.db2.gz CVAQSABPJCTNGW-WDEREUQCSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CCC[C@@H]1NC 43824014 167132194 /nfs/dbraw/zinc/13/21/94/167132194.db2.gz CVAQSABPJCTNGW-QWRGUYRKSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@@H+](C(C)C)C1CCC([NH3+])CC1 55144302 167132301 /nfs/dbraw/zinc/13/23/01/167132301.db2.gz WHCBTOXIQIJCGD-UHFFFAOYSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H](C)[C@@H](C)NC 43824350 167132309 /nfs/dbraw/zinc/13/23/09/167132309.db2.gz XCVSQHWNNHRLQJ-NXEZZACHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CCCC[C@@H]1N 37082128 167132366 /nfs/dbraw/zinc/13/23/66/167132366.db2.gz JKYRLRJKMJMDAA-WDEREUQCSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[N@@H+](C)CCCCC(N)=[NH2+] 49579693 167138625 /nfs/dbraw/zinc/13/86/25/167138625.db2.gz OKIAUHPOJWYNOR-UHFFFAOYSA-N 2 1 157.261 1.044 10 0 ADAEMP CC[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 37078958 167138842 /nfs/dbraw/zinc/13/88/42/167138842.db2.gz DLVMZBKCLFLJKA-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC[N@@H+](C)CC1CCC([NH3+])CC1 37482419 167139111 /nfs/dbraw/zinc/13/91/11/167139111.db2.gz MQDZGCFGPNCKOF-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 42372289 167139150 /nfs/dbraw/zinc/13/91/50/167139150.db2.gz CZRCYFJZPVYWAO-ULKQDVFKSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[NH+](CC)CCC[N@H+](C)CC 5311339 167139404 /nfs/dbraw/zinc/13/94/04/167139404.db2.gz JEJXRPUBAZZVRA-UHFFFAOYSA-N 2 1 172.316 1.670 10 0 ADAEMP CC[N@@H+](C)CC(CC)(CC)C[NH2+]C 51214968 167139759 /nfs/dbraw/zinc/13/97/59/167139759.db2.gz FASMJCVDECEJMF-UHFFFAOYSA-N 2 1 186.343 1.964 10 0 ADAEMP CC[N@@H+](C)CC(C)(C)[C@H](C)[NH3+] 17499184 167139876 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170.300 1.456 10 0 ADAEMP CC[N@@H+](C)C[C@@](C)(CC)C[NH3+] 51214956 167143415 /nfs/dbraw/zinc/14/34/15/167143415.db2.gz LEBAVZAKFRKOSZ-VIFPVBQESA-N 2 1 158.289 1.313 10 0 ADAEMP CC[N@@H+](C)C[C@@](C)(CC)C[NH2+]C 51215010 167143441 /nfs/dbraw/zinc/14/34/41/167143441.db2.gz RHKZATQZBQCPKO-JTQLQIEISA-N 2 1 172.316 1.574 10 0 ADAEMP CC[N@H+](C)[C@@H]1CCCC[NH2+]C1 54135007 167143568 /nfs/dbraw/zinc/14/35/68/167143568.db2.gz FGVYXJVMNUUVLS-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54135007 167143569 /nfs/dbraw/zinc/14/35/69/167143569.db2.gz FGVYXJVMNUUVLS-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH2+]C 53865258 167143778 /nfs/dbraw/zinc/14/37/78/167143778.db2.gz HDMGJJCUNIITFP-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C)C[C@](C)(CC)C[NH3+] 51214957 167143786 /nfs/dbraw/zinc/14/37/86/167143786.db2.gz LEBAVZAKFRKOSZ-SECBINFHSA-N 2 1 158.289 1.313 10 0 ADAEMP CC[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH2+]C 43819870 167143992 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1 170.300 1.421 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 335890386 167144331 /nfs/dbraw/zinc/14/43/31/167144331.db2.gz HJQLHTNKDDCRNA-VHSXEESVSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 335890386 167144332 /nfs/dbraw/zinc/14/43/32/167144332.db2.gz HJQLHTNKDDCRNA-VHSXEESVSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 335890386 167144334 /nfs/dbraw/zinc/14/43/34/167144334.db2.gz HJQLHTNKDDCRNA-VHSXEESVSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@@H+](C)Cc1ccoc1C[NH3+] 52446055 167144488 /nfs/dbraw/zinc/14/44/88/167144488.db2.gz WGOWVTCYDLJKDQ-UHFFFAOYSA-N 2 1 168.240 1.190 10 0 ADAEMP CC[N@@H+](C)Cc1cc(C[NH3+])ccc1F 37078286 167144670 /nfs/dbraw/zinc/14/46/70/167144670.db2.gz KBRJORPYTKGIEX-UHFFFAOYSA-N 2 1 196.269 1.736 10 0 ADAEMP CC[N@@H+](C)C[C@@](C)([NH3+])C1CC1 37479199 167144728 /nfs/dbraw/zinc/14/47/28/167144728.db2.gz JDJDKICCUNACCI-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]C 43820127 167144881 /nfs/dbraw/zinc/14/48/81/167144881.db2.gz OFSIVLHRXUJIBO-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH2+]C 43820127 167144883 /nfs/dbraw/zinc/14/48/83/167144883.db2.gz OFSIVLHRXUJIBO-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)Cc1ccc(C[NH3+])o1 52446036 167145262 /nfs/dbraw/zinc/14/52/62/167145262.db2.gz GPVFIQVVAZSOCE-UHFFFAOYSA-N 2 1 168.240 1.190 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300055794 167145442 /nfs/dbraw/zinc/14/54/42/167145442.db2.gz JXKVCMQILYQCGW-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C)Cc1occc1C[NH3+] 52446040 167145784 /nfs/dbraw/zinc/14/57/84/167145784.db2.gz DOLOHAPDJWVFII-UHFFFAOYSA-N 2 1 168.240 1.190 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCCCC[C@@H]1[NH3+] 53865262 167145793 /nfs/dbraw/zinc/14/57/93/167145793.db2.gz OKWYRZGIHZESHZ-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C)Cc1cc(C[NH3+])c(C)o1 52446038 167145807 /nfs/dbraw/zinc/14/58/07/167145807.db2.gz BMXRZURRNOVZPS-UHFFFAOYSA-N 2 1 182.267 1.498 10 0 ADAEMP CC[N@@H+](C)Cc1cc(C)c(C[NH3+])o1 52446152 167145835 /nfs/dbraw/zinc/14/58/35/167145835.db2.gz XNYPGQSELOLSAA-UHFFFAOYSA-N 2 1 182.267 1.498 10 0 ADAEMP CC[N@H+](C)[C@@]1(C[NH3+])CCCSC1 61589994 167146057 /nfs/dbraw/zinc/14/60/57/167146057.db2.gz SHHFNZDAGLVGNU-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CC[N@@H+](C)[C@@]1(C[NH3+])CCCSC1 61589994 167146060 /nfs/dbraw/zinc/14/60/60/167146060.db2.gz SHHFNZDAGLVGNU-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC[C@@H]1[NH3+] 53865254 167146404 /nfs/dbraw/zinc/14/64/04/167146404.db2.gz UGAVWULJOSYEJJ-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@](C)([NH3+])C1CC1 37479198 167146467 /nfs/dbraw/zinc/14/64/67/167146467.db2.gz JDJDKICCUNACCI-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@](C)(CC)C[NH2+]C 51215011 167146526 /nfs/dbraw/zinc/14/65/26/167146526.db2.gz RHKZATQZBQCPKO-SNVBAGLBSA-N 2 1 172.316 1.574 10 0 ADAEMP 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/nfs/dbraw/zinc/14/69/45/167146945.db2.gz HDMGJJCUNIITFP-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1[NH2+]C 60744025 167147160 /nfs/dbraw/zinc/14/71/60/167147160.db2.gz IXZZECDATZMYLM-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] 37159136 167147186 /nfs/dbraw/zinc/14/71/86/167147186.db2.gz VAKSMEGAXINFTG-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCC[C@@H]1[NH3+] 53865256 167147219 /nfs/dbraw/zinc/14/72/19/167147219.db2.gz UGAVWULJOSYEJJ-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCCC[C@@H]1[NH3+] 53865261 167147318 /nfs/dbraw/zinc/14/73/18/167147318.db2.gz OKWYRZGIHZESHZ-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37159140 167147414 /nfs/dbraw/zinc/14/74/14/167147414.db2.gz UEBQCLSYGSAHOL-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 335890384 167147486 /nfs/dbraw/zinc/14/74/86/167147486.db2.gz HJQLHTNKDDCRNA-NXEZZACHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 335890384 167147488 /nfs/dbraw/zinc/14/74/88/167147488.db2.gz HJQLHTNKDDCRNA-NXEZZACHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 335890384 167147491 /nfs/dbraw/zinc/14/74/91/167147491.db2.gz HJQLHTNKDDCRNA-NXEZZACHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 335890384 167147492 /nfs/dbraw/zinc/14/74/92/167147492.db2.gz HJQLHTNKDDCRNA-NXEZZACHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@@H+](C)Cc1ccc(C[NH3+])cc1 37078306 167147573 /nfs/dbraw/zinc/14/75/73/167147573.db2.gz SMBAXKYYTIEJOO-UHFFFAOYSA-N 2 1 178.279 1.597 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300055795 167147700 /nfs/dbraw/zinc/14/77/00/167147700.db2.gz JXKVCMQILYQCGW-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C)Cc1ccc(C[NH3+])cc1F 37078287 167147713 /nfs/dbraw/zinc/14/77/13/167147713.db2.gz AOEAOKCLAHTKLK-UHFFFAOYSA-N 2 1 196.269 1.736 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 70503088 167147859 /nfs/dbraw/zinc/14/78/59/167147859.db2.gz PVFYUOUABHTBGM-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1[NH3+] 60744021 167147946 /nfs/dbraw/zinc/14/79/46/167147946.db2.gz ZXIJBRDSYKKKNK-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)Cc1cc(C[NH3+])co1 52446175 167147969 /nfs/dbraw/zinc/14/79/69/167147969.db2.gz DISBYHKMKYYCFW-UHFFFAOYSA-N 2 1 168.240 1.190 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCCC[C@@H]1C[NH3+] 37159142 167148687 /nfs/dbraw/zinc/14/86/87/167148687.db2.gz UEBQCLSYGSAHOL-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] 37159138 167149370 /nfs/dbraw/zinc/14/93/70/167149370.db2.gz VAKSMEGAXINFTG-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 335890385 167149659 /nfs/dbraw/zinc/14/96/59/167149659.db2.gz HJQLHTNKDDCRNA-UWVGGRQHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 335890385 167149661 /nfs/dbraw/zinc/14/96/61/167149661.db2.gz HJQLHTNKDDCRNA-UWVGGRQHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 335890385 167149662 /nfs/dbraw/zinc/14/96/62/167149662.db2.gz HJQLHTNKDDCRNA-UWVGGRQHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 335890385 167149664 /nfs/dbraw/zinc/14/96/64/167149664.db2.gz HJQLHTNKDDCRNA-UWVGGRQHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@H+](C)[C@H]1CCCC[C@@H]1[NH2+]C 43820130 167149815 /nfs/dbraw/zinc/14/98/15/167149815.db2.gz OFSIVLHRXUJIBO-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCCC[C@@H]1[NH2+]C 43820130 167149817 /nfs/dbraw/zinc/14/98/17/167149817.db2.gz OFSIVLHRXUJIBO-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 37159146 167149908 /nfs/dbraw/zinc/14/99/08/167149908.db2.gz VBBOXWWWMNSAHV-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC2=C1C[NH2+]C2 39082206 167150103 /nfs/dbraw/zinc/15/01/03/167150103.db2.gz MEXVHUCQIGNKCA-JTQLQIEISA-N 2 1 166.268 1.000 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)[NH2+]C 43821605 167150123 /nfs/dbraw/zinc/15/01/23/167150123.db2.gz YXBMKOCXTCMKAG-BDAKNGLRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)[NH2+]C 43821605 167150124 /nfs/dbraw/zinc/15/01/24/167150124.db2.gz YXBMKOCXTCMKAG-BDAKNGLRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+](C)[C@H]1CCC[C@@H]1[NH2+]C 43819879 167150413 /nfs/dbraw/zinc/15/04/13/167150413.db2.gz KVYMDZSFOAJTJV-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@@H]1[NH2+]C 43819879 167150417 /nfs/dbraw/zinc/15/04/17/167150417.db2.gz KVYMDZSFOAJTJV-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)[NH3+] 41053782 167150559 /nfs/dbraw/zinc/15/05/59/167150559.db2.gz LPHIPEGSMQGUMS-SFYZADRCSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[N@H+](C)[C@]1(C[NH3+])CCCSC1 61589993 167150785 /nfs/dbraw/zinc/15/07/85/167150785.db2.gz SHHFNZDAGLVGNU-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CC[N@@H+](C)[C@]1(C[NH3+])CCCSC1 61589993 167150787 /nfs/dbraw/zinc/15/07/87/167150787.db2.gz SHHFNZDAGLVGNU-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CC[N@H+](C)[C@H]1CCCCC[C@@H]1[NH2+]C 43819873 167150891 /nfs/dbraw/zinc/15/08/91/167150891.db2.gz JCHJJZPNDIFMLA-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH2+]C 43819873 167150893 /nfs/dbraw/zinc/15/08/93/167150893.db2.gz JCHJJZPNDIFMLA-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+](C)[C@H]1CCCC[NH2+]C1 54135008 167151056 /nfs/dbraw/zinc/15/10/56/167151056.db2.gz FGVYXJVMNUUVLS-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCCC[NH2+]C1 54135008 167151059 /nfs/dbraw/zinc/15/10/59/167151059.db2.gz FGVYXJVMNUUVLS-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 335890387 167151355 /nfs/dbraw/zinc/15/13/55/167151355.db2.gz HJQLHTNKDDCRNA-ZJUUUORDSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 335890387 167151360 /nfs/dbraw/zinc/15/13/60/167151360.db2.gz HJQLHTNKDDCRNA-ZJUUUORDSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 335890387 167151361 /nfs/dbraw/zinc/15/13/61/167151361.db2.gz HJQLHTNKDDCRNA-ZJUUUORDSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 335890387 167151366 /nfs/dbraw/zinc/15/13/66/167151366.db2.gz HJQLHTNKDDCRNA-ZJUUUORDSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@H+](C1CC1)[C@H]1CCCC[NH2+]C1 54134989 167152289 /nfs/dbraw/zinc/15/22/89/167152289.db2.gz FOFCIKMNVHXEDX-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCCC[NH2+]C1 54134989 167152291 /nfs/dbraw/zinc/15/22/91/167152291.db2.gz FOFCIKMNVHXEDX-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H](C)[C@@H](C)[NH2+]C 43821607 167152328 /nfs/dbraw/zinc/15/23/28/167152328.db2.gz YXBMKOCXTCMKAG-RKDXNWHRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)[C@@H](C)[NH2+]C 43821607 167152331 /nfs/dbraw/zinc/15/23/31/167152331.db2.gz YXBMKOCXTCMKAG-RKDXNWHRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H]1CCCC[NH2+]C1 54134987 167152540 /nfs/dbraw/zinc/15/25/40/167152540.db2.gz FOFCIKMNVHXEDX-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CCCC[NH2+]C1 54134987 167152543 /nfs/dbraw/zinc/15/25/43/167152543.db2.gz FOFCIKMNVHXEDX-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@H+](CC(N)=[NH2+])C1CCCCC1 39018739 167152584 /nfs/dbraw/zinc/15/25/84/167152584.db2.gz SVFLQISMFWZOQC-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[N@@H+](CC(N)=[NH2+])C1CCCCC1 39018739 167152589 /nfs/dbraw/zinc/15/25/89/167152589.db2.gz SVFLQISMFWZOQC-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 37159191 167152887 /nfs/dbraw/zinc/15/28/87/167152887.db2.gz ZVVAMILCXIJITE-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+](C1CCC([NH3+])CC1)C1CC1 55144299 167153215 /nfs/dbraw/zinc/15/32/15/167153215.db2.gz PVNSULYYLHRIGE-UHFFFAOYSA-N 2 1 182.311 1.741 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1C[NH3+] 37159187 167153395 /nfs/dbraw/zinc/15/33/95/167153395.db2.gz WNZCCFJKOKZGOR-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1C[NH3+] 37159189 167153547 /nfs/dbraw/zinc/15/35/47/167153547.db2.gz WNZCCFJKOKZGOR-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+](C1CC1)[C@H](C)[C@@H](C)[NH3+] 41053783 167153665 /nfs/dbraw/zinc/15/36/65/167153665.db2.gz LPHIPEGSMQGUMS-HTQZYQBOSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[N@H+](C1CC1)[C@H]1CCC[C@@H]1[NH2+]C 43821284 167154505 /nfs/dbraw/zinc/15/45/05/167154505.db2.gz XNAWQSSVOYFYQB-QWRGUYRKSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1[NH2+]C 43821284 167154507 /nfs/dbraw/zinc/15/45/07/167154507.db2.gz XNAWQSSVOYFYQB-QWRGUYRKSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+](C1CC1)[C@@H]1CCC[C@@H]1[NH2+]C 43821281 167154953 /nfs/dbraw/zinc/15/49/53/167154953.db2.gz XNAWQSSVOYFYQB-WDEREUQCSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1[NH2+]C 43821281 167154957 /nfs/dbraw/zinc/15/49/57/167154957.db2.gz XNAWQSSVOYFYQB-WDEREUQCSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCC[C@@H]1C[NH3+] 37159193 167155500 /nfs/dbraw/zinc/15/55/00/167155500.db2.gz ZVVAMILCXIJITE-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@@H+](CC(C)(C)C[NH3+])C(C)C 51215317 167156292 /nfs/dbraw/zinc/15/62/92/167156292.db2.gz YUNGGFQKBAXHRX-UHFFFAOYSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[N@@H+](CC(C)(C)C[NH2+]C)C(C)C 51215329 167156785 /nfs/dbraw/zinc/15/67/85/167156785.db2.gz HMZZBRAQZUIBDS-UHFFFAOYSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[N@@H+](CC(C)C)C1CC[NH2+]CC1 37111691 167157996 /nfs/dbraw/zinc/15/79/96/167157996.db2.gz YYFVCVHMHCJXKS-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](CC(C)C)CC(C)(C)C[NH3+] 51214868 167158070 /nfs/dbraw/zinc/15/80/70/167158070.db2.gz BBFMSVZIDBEWEU-UHFFFAOYSA-N 2 1 186.343 1.949 10 0 ADAEMP CC[N@@H+](CC(C)(C)C[NH3+])C1CC1 51215045 167159123 /nfs/dbraw/zinc/15/91/23/167159123.db2.gz ZEQGLUJUNZWNCQ-UHFFFAOYSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](CC(C)(C)C[NH2+]C)C1CC1 51215057 167159360 /nfs/dbraw/zinc/15/93/60/167159360.db2.gz GLKODJYFTSYFHP-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+](CC(C)C)[C@@H](C)C(N)=[NH2+] 43515321 167159535 /nfs/dbraw/zinc/15/95/35/167159535.db2.gz KGSYDQRLFPVTSZ-QMMMGPOBSA-N 2 1 171.288 1.289 10 0 ADAEMP CC[N@@H+](CC(C)C)[C@@H](C)C(N)=[NH2+] 43515321 167159538 /nfs/dbraw/zinc/15/95/38/167159538.db2.gz KGSYDQRLFPVTSZ-QMMMGPOBSA-N 2 1 171.288 1.289 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H](C)C[NH3+] 134161489 343935705 /nfs/dbraw/zinc/93/57/05/343935705.db2.gz RQTOQUIJAVNPJT-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH+](CC)C[C@@H]([NH3+])C(C)(C)C 19254888 167167192 /nfs/dbraw/zinc/16/71/92/167167192.db2.gz TWSWWTQEYGSYFZ-SECBINFHSA-N 2 1 172.316 1.702 10 0 ADAEMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC1 45693869 167168386 /nfs/dbraw/zinc/16/83/86/167168386.db2.gz HCGSILDWDXDDKF-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH+](CC)Cc1nc(C[NH3+])cs1 45206605 167170343 /nfs/dbraw/zinc/17/03/43/167170343.db2.gz MIXAWHVWZCUFNQ-UHFFFAOYSA-N 2 1 199.323 1.444 10 0 ADAEMP CC[NH+](CC)C[C@H]([NH3+])C(C)(C)C 19254890 167170961 /nfs/dbraw/zinc/17/09/61/167170961.db2.gz TWSWWTQEYGSYFZ-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC1 45693872 167171391 /nfs/dbraw/zinc/17/13/91/167171391.db2.gz HCGSILDWDXDDKF-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH+](CC)[C@H](C[NH3+])CCSC 37395720 167172005 /nfs/dbraw/zinc/17/20/05/167172005.db2.gz JHHCZLDEZFMZMM-VIFPVBQESA-N 2 1 190.356 1.409 10 0 ADAEMP CCN(CC)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 22562437 167173144 /nfs/dbraw/zinc/17/31/44/167173144.db2.gz UHAUGOVLKRDWKI-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH+](CC)[C@@H]1CC[N@H+](C)C[C@@H]1C 73653728 167173453 /nfs/dbraw/zinc/17/34/53/167173453.db2.gz JTVSEQJQJJERSJ-WDEREUQCSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](CC)[C@@H]1CC[N@@H+](C)C[C@@H]1C 73653728 167173455 /nfs/dbraw/zinc/17/34/55/167173455.db2.gz JTVSEQJQJJERSJ-WDEREUQCSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](CC)[C@H]1CC[N@H+](C)[C@H](C)C1 73655644 167174031 /nfs/dbraw/zinc/17/40/31/167174031.db2.gz CVSGSMHJTJPTMD-MNOVXSKESA-N 2 1 184.327 1.811 10 0 ADAEMP CC[NH+](CC)[C@H]1CC[N@@H+](C)[C@H](C)C1 73655644 167174032 /nfs/dbraw/zinc/17/40/32/167174032.db2.gz CVSGSMHJTJPTMD-MNOVXSKESA-N 2 1 184.327 1.811 10 0 ADAEMP CC[NH+](CC)[C@@H]1CC[N@H+](C)[C@H](C)C1 73655642 167174101 /nfs/dbraw/zinc/17/41/01/167174101.db2.gz CVSGSMHJTJPTMD-GHMZBOCLSA-N 2 1 184.327 1.811 10 0 ADAEMP CC[NH+](CC)[C@@H]1CC[N@@H+](C)[C@H](C)C1 73655642 167174104 /nfs/dbraw/zinc/17/41/04/167174104.db2.gz CVSGSMHJTJPTMD-GHMZBOCLSA-N 2 1 184.327 1.811 10 0 ADAEMP CC[NH+](CC)[C@H]1CC[N@H+](C)C[C@@H]1C 73653731 167174454 /nfs/dbraw/zinc/17/44/54/167174454.db2.gz JTVSEQJQJJERSJ-QWRGUYRKSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](CC)[C@H]1CC[N@@H+](C)C[C@@H]1C 73653731 167174457 /nfs/dbraw/zinc/17/44/57/167174457.db2.gz JTVSEQJQJJERSJ-QWRGUYRKSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[N@@H+](CC1([NH3+])CCCC1)C1CC1 37479597 167175225 /nfs/dbraw/zinc/17/52/25/167175225.db2.gz WIVXDMDMGSHTDC-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@@H+](CC1CC1)C1CC[NH2+]CC1 37469523 167175921 /nfs/dbraw/zinc/17/59/21/167175921.db2.gz UKAZDWLPKHIIDK-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@@H](C)C(N)=[NH2+] 42445952 167177391 /nfs/dbraw/zinc/17/73/91/167177391.db2.gz TZUPJODOYXZFDG-MRVPVSSYSA-N 2 1 183.299 1.290 10 0 ADAEMP CC[N@@H+](CC1CCC([NH3+])CC1)C1CC1 37482421 167177484 /nfs/dbraw/zinc/17/74/84/167177484.db2.gz YIYBBKUPLZKJEK-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](CC1(C[NH3+])CCCC1)C1CC1 51215056 167177871 /nfs/dbraw/zinc/17/78/71/167177871.db2.gz NVSHAEQBXIBBCV-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CCN(CCC[NH3+])c1[nH+]cccc1C 51040725 167178211 /nfs/dbraw/zinc/17/82/11/167178211.db2.gz BXGYDQAMBRWKQF-UHFFFAOYSA-N 2 1 193.294 1.565 10 0 ADAEMP CC[N@@H+](CCCCC(N)=[NH2+])C(C)C 49579696 167178366 /nfs/dbraw/zinc/17/83/66/167178366.db2.gz HYCCHOYOONAOJS-UHFFFAOYSA-N 2 1 185.315 1.823 10 0 ADAEMP CC[N@@H+](CCCCC[NH3+])C(C)C 49580649 167178796 /nfs/dbraw/zinc/17/87/96/167178796.db2.gz CNBSEFKFGMJGSA-UHFFFAOYSA-N 2 1 172.316 1.846 10 0 ADAEMP CC[N@@H+](CCCCC[NH3+])C1CC1 49580647 167178824 /nfs/dbraw/zinc/17/88/24/167178824.db2.gz ZODSISRQGCVZFP-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CC[N@@H+](CCCCC(N)=[NH2+])C1CC1 49579694 167179430 /nfs/dbraw/zinc/17/94/30/167179430.db2.gz WYYPSJLDARKYSS-UHFFFAOYSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[N@@H+](CCC(C)C)C[C@@H](C)C(N)=[NH2+] 42446048 167179522 /nfs/dbraw/zinc/17/95/22/167179522.db2.gz NMPNMWVGVWFWIC-SNVBAGLBSA-N 2 1 199.342 1.926 10 0 ADAEMP CCN(CCC[NH3+])c1cc(C)cc[nH+]1 43561277 167179667 /nfs/dbraw/zinc/17/96/67/167179667.db2.gz NRSZUHFVTUCFIQ-UHFFFAOYSA-N 2 1 193.294 1.565 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])[C@H](C)COC 42739950 167179755 /nfs/dbraw/zinc/17/97/55/167179755.db2.gz RLVMGIAYOMOXOT-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](CCCCC[NH3+])CCOC 49580803 167179948 /nfs/dbraw/zinc/17/99/48/167179948.db2.gz KGNNEQCXYCSMPU-UHFFFAOYSA-N 2 1 188.315 1.084 10 0 ADAEMP CCN(CCC[NH3+])c1[nH+]ccn1CC 50607895 167179952 /nfs/dbraw/zinc/17/99/52/167179952.db2.gz ZIDUSRAEGQYYAD-UHFFFAOYSA-N 2 1 196.298 1.078 10 0 ADAEMP CC[N@@H+](CCC(N)=[NH2+])C1CCCCC1 19474392 167180096 /nfs/dbraw/zinc/18/00/96/167180096.db2.gz IDPJOXORJPYSKF-UHFFFAOYSA-N 2 1 197.326 1.967 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])[C@@H](C)COC 42739949 167180826 /nfs/dbraw/zinc/18/08/26/167180826.db2.gz RLVMGIAYOMOXOT-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@H+](CCC(N)=[NH2+])CCC(C)C 42452809 167180919 /nfs/dbraw/zinc/18/09/19/167180919.db2.gz ACGLDEUVVMVZFZ-UHFFFAOYSA-N 2 1 185.315 1.680 10 0 ADAEMP CC[N@@H+](CCC(N)=[NH2+])CC1CC1 42452747 167181331 /nfs/dbraw/zinc/18/13/31/167181331.db2.gz QIPCFTGXIVJIRW-UHFFFAOYSA-N 2 1 169.272 1.044 10 0 ADAEMP CC[N@@H+](CCC[NH3+])CCOC(C)C 49259225 167181538 /nfs/dbraw/zinc/18/15/38/167181538.db2.gz MBGJPARYRKNCRV-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@H+](CC[C@H](C)[NH3+])Cc1ccco1 42446037 167186859 /nfs/dbraw/zinc/18/68/59/167186859.db2.gz SGRYJODPQFCVME-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH3+])Cc1ccco1 42446037 167186860 /nfs/dbraw/zinc/18/68/60/167186860.db2.gz SGRYJODPQFCVME-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH2+]C)C1CC1 43821553 167186884 /nfs/dbraw/zinc/18/68/84/167186884.db2.gz VEVAPDKYZRFZEL-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](CC[C@H]1CCC[NH2+]1)C1CC1 42171976 167187020 /nfs/dbraw/zinc/18/70/20/167187020.db2.gz AEXCOPJJIIYXHX-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@@H+](CC[C@@H]1CCC[NH2+]1)C(C)C 42171982 167187208 /nfs/dbraw/zinc/18/72/08/167187208.db2.gz UCQNHYHANZGWJO-NSHDSACASA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+](CC[C@@H](C)[NH3+])Cc1ccco1 42446035 167187633 /nfs/dbraw/zinc/18/76/33/167187633.db2.gz SGRYJODPQFCVME-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH3+])Cc1ccco1 42446035 167187635 /nfs/dbraw/zinc/18/76/35/167187635.db2.gz SGRYJODPQFCVME-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH2+]C)CC(C)C 43888025 167188073 /nfs/dbraw/zinc/18/80/73/167188073.db2.gz BYNPYZHMOHYMKN-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH2+]C)C(C)C 43824293 167188203 /nfs/dbraw/zinc/18/82/03/167188203.db2.gz CSJUEBHMRSKXIU-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[N@@H+](CCOC)[C@](C)(CC)C[NH3+] 42492654 167188219 /nfs/dbraw/zinc/18/82/19/167188219.db2.gz CJUJMOASMUNJJT-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH2+]C)C(C)C 43824296 167188907 /nfs/dbraw/zinc/18/89/07/167188907.db2.gz CSJUEBHMRSKXIU-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH2+]C)C1CC1 43821556 167189179 /nfs/dbraw/zinc/18/91/79/167189179.db2.gz VEVAPDKYZRFZEL-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH2+]C)CC(C)C 43888026 167189628 /nfs/dbraw/zinc/18/96/28/167189628.db2.gz BYNPYZHMOHYMKN-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[N@@H+](CC[C@@H](C)[NH3+])[C@@H](C)COC 42748018 167189958 /nfs/dbraw/zinc/18/99/58/167189958.db2.gz FVXNQBWVIGXZJE-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](CCOC)[C@@](C)(CC)C[NH3+] 42492653 167190059 /nfs/dbraw/zinc/19/00/59/167190059.db2.gz CJUJMOASMUNJJT-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CC[N@@H+](CC[C@@H]1CCC[NH2+]1)C1CC1 42171974 167190451 /nfs/dbraw/zinc/19/04/51/167190451.db2.gz AEXCOPJJIIYXHX-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CC[N@@H+](CC[C@H](C)[NH3+])[C@@H](C)COC 42748021 167190522 /nfs/dbraw/zinc/19/05/22/167190522.db2.gz FVXNQBWVIGXZJE-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+](CC[C@H]1CCC[NH2+]1)C(C)C 42171983 167190582 /nfs/dbraw/zinc/19/05/82/167190582.db2.gz UCQNHYHANZGWJO-LLVKDONJSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@@H]1[NH3+])C1CC1 53865351 167191451 /nfs/dbraw/zinc/19/14/51/167191451.db2.gz YOSDIGLNOZMPJD-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@@H+](Cc1ccco1)[C@H](C)CC[NH3+] 42445428 167191562 /nfs/dbraw/zinc/19/15/62/167191562.db2.gz WKYYRVGMPBBPOQ-SNVBAGLBSA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 51889487 167191723 /nfs/dbraw/zinc/19/17/23/167191723.db2.gz QADLXUAMOSMIBZ-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C[C@@](C)(CC)C[NH3+])C1CC1 51215052 167192147 /nfs/dbraw/zinc/19/21/47/167192147.db2.gz SWSMVUNNBIHTIY-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 51889489 167192331 /nfs/dbraw/zinc/19/23/31/167192331.db2.gz QADLXUAMOSMIBZ-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 51889422 167192539 /nfs/dbraw/zinc/19/25/39/167192539.db2.gz FYGCIJSSJBAARN-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 51889424 167192755 /nfs/dbraw/zinc/19/27/55/167192755.db2.gz FYGCIJSSJBAARN-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@@H+](C[C@H]1CCC[C@@H]1[NH3+])C1CC1 53865353 167193416 /nfs/dbraw/zinc/19/34/16/167193416.db2.gz YOSDIGLNOZMPJD-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 70503090 167193628 /nfs/dbraw/zinc/19/36/28/167193628.db2.gz SZTNTUGICWGDBP-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 60744058 167193642 /nfs/dbraw/zinc/19/36/42/167193642.db2.gz BKNONKGSFDNOBF-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C[C@H]1CCC[C@@H]1[NH3+])C(C)C 53865591 167193791 /nfs/dbraw/zinc/19/37/91/167193791.db2.gz LOCPXPRZKVNLLK-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 60744055 167193967 /nfs/dbraw/zinc/19/39/67/167193967.db2.gz BKNONKGSFDNOBF-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C[C@@H]1CCC[C@@H]1[NH3+])C(C)C 53865590 167194110 /nfs/dbraw/zinc/19/41/10/167194110.db2.gz LOCPXPRZKVNLLK-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[N@@H+](Cc1occc1C[NH3+])C(C)C 52446755 167194216 /nfs/dbraw/zinc/19/42/16/167194216.db2.gz PIMCTFKIWQPWCC-UHFFFAOYSA-N 2 1 196.294 1.969 10 0 ADAEMP CC[N@@H+](C[C@H]1CCC[C@H]([NH3+])C1)C1CC1 70503091 167194331 /nfs/dbraw/zinc/19/43/31/167194331.db2.gz SZTNTUGICWGDBP-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C[C@](C)(CC)C[NH3+])C1CC1 51215053 167194427 /nfs/dbraw/zinc/19/44/27/167194427.db2.gz SWSMVUNNBIHTIY-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](Cc1ccco1)[C@@H](C)CC[NH3+] 42445426 167194460 /nfs/dbraw/zinc/19/44/60/167194460.db2.gz WKYYRVGMPBBPOQ-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+]([C@@H](C)COC)[C@@H](C)[C@@H](C)[NH3+] 42748382 167195820 /nfs/dbraw/zinc/19/58/20/167195820.db2.gz HQCGVFGMYXSWCE-AEJSXWLSSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[N@H+]([C@@H](C)COC)[C@H](C)CC[NH3+] 42740109 167196150 /nfs/dbraw/zinc/19/61/50/167196150.db2.gz BRJMZWZBXHBRST-ZJUUUORDSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+]([C@H](C)COC)C(C)(C)C[NH3+] 42743605 167196218 /nfs/dbraw/zinc/19/62/18/167196218.db2.gz RMLYKSJFFHVSPK-SECBINFHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@H+]([C@@H](C)[C@@H](C)[NH3+])[C@H](C)COC 42748385 167196415 /nfs/dbraw/zinc/19/64/15/167196415.db2.gz HQCGVFGMYXSWCE-BBBLOLIVSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[N@@H+]([C@@H](C)CC[NH3+])[C@@H](C)COC 42740108 167196641 /nfs/dbraw/zinc/19/66/41/167196641.db2.gz BRJMZWZBXHBRST-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[N@@H+]([C@@H](C)COC)C(C)(C)C[NH3+] 42743602 167196846 /nfs/dbraw/zinc/19/68/46/167196846.db2.gz RMLYKSJFFHVSPK-VIFPVBQESA-N 2 1 188.315 1.081 10 0 ADAEMP CC[NH+]1CCC([NH+](C)C)CC1 73652796 167200548 /nfs/dbraw/zinc/20/05/48/167200548.db2.gz JNJKVYBFLDJCIT-UHFFFAOYSA-N 2 1 156.273 1.032 10 0 ADAEMP CC[N@H+]1CCC2(CCC([NH3+])CC2)C1 95091295 167201076 /nfs/dbraw/zinc/20/10/76/167201076.db2.gz GSSZUGNXMXFQDG-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@@H](C)CC1 49664793 167201293 /nfs/dbraw/zinc/20/12/93/167201293.db2.gz HUVZIAWEWKQGEQ-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[NH+]1CCC[C@@H]([N@H+](C)CC)CC1 306225142 167201543 /nfs/dbraw/zinc/20/15/43/167201543.db2.gz LNPNMHCOFAUNDO-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CC[NH+](C)[C@@H]1CCC[N@H+](CC)CC1 306225142 167201545 /nfs/dbraw/zinc/20/15/45/167201545.db2.gz LNPNMHCOFAUNDO-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CC[NH+](C)[C@@H]1CCC[N@@H+](CC)CC1 306225142 167201547 /nfs/dbraw/zinc/20/15/47/167201547.db2.gz LNPNMHCOFAUNDO-LLVKDONJSA-N 2 1 184.327 1.813 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 307008128 167201875 /nfs/dbraw/zinc/20/18/75/167201875.db2.gz GSAOKMXHDLNDPM-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]2C)CC1 52269807 167201901 /nfs/dbraw/zinc/20/19/01/167201901.db2.gz JOUTVFZAYLXXMC-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CCC2(CC[NH2+]CC2)C1 75557161 167201910 /nfs/dbraw/zinc/20/19/10/167201910.db2.gz GVBJVBAYZCXSHJ-UHFFFAOYSA-N 2 1 168.284 1.082 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 307008130 167202060 /nfs/dbraw/zinc/20/20/60/167202060.db2.gz GSAOKMXHDLNDPM-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1 335278947 167202309 /nfs/dbraw/zinc/20/23/09/167202309.db2.gz MMUMICUWKZADHY-NSHDSACASA-N 2 1 194.322 1.613 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@@H]2CC2(C)C)CC1 45115416 167202628 /nfs/dbraw/zinc/20/26/28/167202628.db2.gz LXHUOTAEOFFFNG-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 334983791 167202711 /nfs/dbraw/zinc/20/27/11/167202711.db2.gz PDLVIAZUWPLUFC-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 307008131 167202786 /nfs/dbraw/zinc/20/27/86/167202786.db2.gz GSAOKMXHDLNDPM-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@H](CC(C)C)C1 62567191 167202832 /nfs/dbraw/zinc/20/28/32/167202832.db2.gz NXIOZYMHKIQCRS-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 52269800 167202875 /nfs/dbraw/zinc/20/28/75/167202875.db2.gz JOUTVFZAYLXXMC-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH+]1CCC2(CC1)CC[N@@H+](C)C2 95091326 167202922 /nfs/dbraw/zinc/20/29/22/167202922.db2.gz TUEOUCUJTSIXBK-UHFFFAOYSA-N 2 1 182.311 1.424 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 307008129 167202936 /nfs/dbraw/zinc/20/29/36/167202936.db2.gz GSAOKMXHDLNDPM-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@@H](CC(C)C)C1 62567193 167203022 /nfs/dbraw/zinc/20/30/22/167203022.db2.gz NXIOZYMHKIQCRS-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@H]2C[C@@H]2C)CC1 52269803 167203125 /nfs/dbraw/zinc/20/31/25/167203125.db2.gz JOUTVFZAYLXXMC-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1 335278942 167203129 /nfs/dbraw/zinc/20/31/29/167203129.db2.gz MMUMICUWKZADHY-LLVKDONJSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@H](C)CC1 49664792 167203621 /nfs/dbraw/zinc/20/36/21/167203621.db2.gz HUVZIAWEWKQGEQ-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC2)C1 53656231 167203729 /nfs/dbraw/zinc/20/37/29/167203729.db2.gz YCQIWBKDHFNQNM-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCC2(CC(C[NH3+])C2)C1 95091308 167203856 /nfs/dbraw/zinc/20/38/56/167203856.db2.gz NXQUEDYCRVBWMZ-UHFFFAOYSA-N 2 1 168.284 1.067 10 0 ADAEMP CC[N@H+]1CCC2(CC[NH+](C)CC2)C1 95091296 167203922 /nfs/dbraw/zinc/20/39/22/167203922.db2.gz QMUNEBPTTOJKLK-UHFFFAOYSA-N 2 1 182.311 1.424 10 0 ADAEMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]2C)CC1 52269805 167203932 /nfs/dbraw/zinc/20/39/32/167203932.db2.gz JOUTVFZAYLXXMC-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 62566629 167203948 /nfs/dbraw/zinc/20/39/48/167203948.db2.gz CVRIRRUCESEYNX-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CCC[NH2+][C@H](C(C)C)C1 62566626 167203997 /nfs/dbraw/zinc/20/39/97/167203997.db2.gz CVRIRRUCESEYNX-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH+]1CCC([NH+]2CCCC2)CC1 73652787 167204044 /nfs/dbraw/zinc/20/40/44/167204044.db2.gz GROWZGBVYUBFRS-UHFFFAOYSA-N 2 1 182.311 1.567 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 334983790 167204352 /nfs/dbraw/zinc/20/43/52/167204352.db2.gz PDLVIAZUWPLUFC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCC2(CCC(C[NH3+])CC2)C1 95091292 167204637 /nfs/dbraw/zinc/20/46/37/167204637.db2.gz MTRSSSOUHUMTJW-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 6438640 167205243 /nfs/dbraw/zinc/20/52/43/167205243.db2.gz CULUXEMAMNOREK-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)C 53649659 167205258 /nfs/dbraw/zinc/20/52/58/167205258.db2.gz RSKLLYWGWXOUFY-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)C 53649659 167205260 /nfs/dbraw/zinc/20/52/60/167205260.db2.gz RSKLLYWGWXOUFY-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C)C1 37208422 167205387 /nfs/dbraw/zinc/20/53/87/167205387.db2.gz ORIKYPKWGJIPRT-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CN1CCCC1=[NH2+] 20444207 167206196 /nfs/dbraw/zinc/20/61/96/167206196.db2.gz UKIBDCZSIWWHRN-SNVBAGLBSA-N 2 1 195.310 1.544 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 6438637 167206279 /nfs/dbraw/zinc/20/62/79/167206279.db2.gz CULUXEMAMNOREK-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C)C1 37208423 167207080 /nfs/dbraw/zinc/20/70/80/167207080.db2.gz ORIKYPKWGJIPRT-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CCC[C@]([NH3+])(C(C)C)C1 85343276 167207424 /nfs/dbraw/zinc/20/74/24/167207424.db2.gz YCSQGABANDEVKJ-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP Cc1cc(N[C@@H](C)CC[NH3+])nc(C)[nH+]1 134274458 343938766 /nfs/dbraw/zinc/93/87/66/343938766.db2.gz VDJQYVFEHNHFMD-ZETCQYMHSA-N 2 1 194.282 1.243 10 0 ADAEMP CC[N@H+]1CCC[C@@]([NH3+])(C(C)C)C1 85343280 167207926 /nfs/dbraw/zinc/20/79/26/167207926.db2.gz YCSQGABANDEVKJ-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1 53649274 167208066 /nfs/dbraw/zinc/20/80/66/167208066.db2.gz IRTDVHLDCGFDFE-SNVBAGLBSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC1 53649274 167208069 /nfs/dbraw/zinc/20/80/69/167208069.db2.gz IRTDVHLDCGFDFE-SNVBAGLBSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)C 53649661 167208134 /nfs/dbraw/zinc/20/81/34/167208134.db2.gz RSKLLYWGWXOUFY-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)C 53649661 167208137 /nfs/dbraw/zinc/20/81/37/167208137.db2.gz RSKLLYWGWXOUFY-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC1 53649276 167208223 /nfs/dbraw/zinc/20/82/23/167208223.db2.gz IRTDVHLDCGFDFE-JTQLQIEISA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC1 53649276 167208225 /nfs/dbraw/zinc/20/82/25/167208225.db2.gz IRTDVHLDCGFDFE-JTQLQIEISA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C2CC2)C1 37208369 167209736 /nfs/dbraw/zinc/20/97/36/167209736.db2.gz RCWBHTNHGAEYEH-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH+]1CCC[C@H]([N@H+](C)CC)CC1 306225178 167209812 /nfs/dbraw/zinc/20/98/12/167209812.db2.gz LNPNMHCOFAUNDO-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CC[NH+](C)[C@H]1CCC[N@H+](CC)CC1 306225178 167209813 /nfs/dbraw/zinc/20/98/13/167209813.db2.gz LNPNMHCOFAUNDO-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CC[NH+](C)[C@H]1CCC[N@@H+](CC)CC1 306225178 167209814 /nfs/dbraw/zinc/20/98/14/167209814.db2.gz LNPNMHCOFAUNDO-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C2CC2)C1 37208368 167210157 /nfs/dbraw/zinc/21/01/57/167210157.db2.gz RCWBHTNHGAEYEH-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[NH2+]C(C)C 19960275 167210355 /nfs/dbraw/zinc/21/03/55/167210355.db2.gz DKIQXWNKXSPRHE-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[NH2+]C(C)C 19960275 167210358 /nfs/dbraw/zinc/21/03/58/167210358.db2.gz DKIQXWNKXSPRHE-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+]1CCC[C@H]1C[NH2+]C(C)C 19960279 167210508 /nfs/dbraw/zinc/21/05/08/167210508.db2.gz DKIQXWNKXSPRHE-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@H]1C[NH2+]C(C)C 19960279 167210510 /nfs/dbraw/zinc/21/05/10/167210510.db2.gz DKIQXWNKXSPRHE-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP Cc1cccc(N[C@H](C)CC[NH3+])[nH+]1 134272926 343938769 /nfs/dbraw/zinc/93/87/69/343938769.db2.gz YRFGUDJJPHZCPI-SECBINFHSA-N 2 1 179.267 1.539 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC2)C1 53656227 167210670 /nfs/dbraw/zinc/21/06/70/167210670.db2.gz YCQIWBKDHFNQNM-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH+](C)C)C[C@@H]1C 73655819 167216137 /nfs/dbraw/zinc/21/61/37/167216137.db2.gz RUUQEWGHAIVKPM-VHSXEESVSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 37484247 167216286 /nfs/dbraw/zinc/21/62/86/167216286.db2.gz CYNCGQPORBJNSW-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]C(C)C)C[C@@H]1C 73655717 167216758 /nfs/dbraw/zinc/21/67/58/167216758.db2.gz RYQQRQIXAXKOHC-WDEREUQCSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]C(C)C)C[C@H]1C 242649260 167216816 /nfs/dbraw/zinc/21/68/16/167216816.db2.gz RYQQRQIXAXKOHC-GHMZBOCLSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 100252317 167216871 /nfs/dbraw/zinc/21/68/71/167216871.db2.gz DLLQVDUYQBJWFF-GHMZBOCLSA-N 2 1 182.311 1.457 10 0 ADAEMP CC[NH+]1CC[C@@H]([N@H+](C)CC)[C@H](C)C1 335916775 167217173 /nfs/dbraw/zinc/21/71/73/167217173.db2.gz DKAJSXBOTKDYIN-GHMZBOCLSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C 335916775 167217177 /nfs/dbraw/zinc/21/71/77/167217177.db2.gz DKAJSXBOTKDYIN-GHMZBOCLSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C 335916775 167217178 /nfs/dbraw/zinc/21/71/78/167217178.db2.gz DKAJSXBOTKDYIN-GHMZBOCLSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 73653861 167217434 /nfs/dbraw/zinc/21/74/34/167217434.db2.gz JYSDEJUFRIUDLH-VXGBXAGGSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H](C)C1 73653861 167217438 /nfs/dbraw/zinc/21/74/38/167217438.db2.gz JYSDEJUFRIUDLH-VXGBXAGGSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH+](C)C)[C@H](C)C1 73653916 167217645 /nfs/dbraw/zinc/21/76/45/167217645.db2.gz MRHTYIFGYIWBNO-NXEZZACHSA-N 2 1 170.300 1.278 10 0 ADAEMP CC[NH+]1CC[C@@H]([N@H+](C)CC)[C@@H](C)C1 335916778 167217903 /nfs/dbraw/zinc/21/79/03/167217903.db2.gz DKAJSXBOTKDYIN-WDEREUQCSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C 335916778 167217905 /nfs/dbraw/zinc/21/79/05/167217905.db2.gz DKAJSXBOTKDYIN-WDEREUQCSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C 335916778 167217906 /nfs/dbraw/zinc/21/79/06/167217906.db2.gz DKAJSXBOTKDYIN-WDEREUQCSA-N 2 1 184.327 1.668 10 0 ADAEMP CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)C[C@H]1C 242548493 167218052 /nfs/dbraw/zinc/21/80/52/167218052.db2.gz LOFUAFJWUZYSFL-VXGBXAGGSA-N 2 1 196.338 1.955 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCC2)C[C@H]1C 242548493 167218055 /nfs/dbraw/zinc/21/80/55/167218055.db2.gz LOFUAFJWUZYSFL-VXGBXAGGSA-N 2 1 196.338 1.955 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCCC2)C1 37484177 167218367 /nfs/dbraw/zinc/21/83/67/167218367.db2.gz XETJVYMDWIZOHL-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)C[C@@H]1C 73655770 167218691 /nfs/dbraw/zinc/21/86/91/167218691.db2.gz LOFUAFJWUZYSFL-NWDGAFQWSA-N 2 1 196.338 1.955 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH+]2CCCC2)C[C@@H]1C 73655770 167218693 /nfs/dbraw/zinc/21/86/93/167218693.db2.gz LOFUAFJWUZYSFL-NWDGAFQWSA-N 2 1 196.338 1.955 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH+](C)C)C[C@H]1C 242649113 167218913 /nfs/dbraw/zinc/21/89/13/167218913.db2.gz RUUQEWGHAIVKPM-NXEZZACHSA-N 2 1 170.300 1.421 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[C@@H]([NH3+])C2)C1 100252334 167218959 /nfs/dbraw/zinc/21/89/59/167218959.db2.gz OJSDJSSQJDIVMO-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC2)C1 44481708 167219060 /nfs/dbraw/zinc/21/90/60/167219060.db2.gz BIEZQJLFBZHENP-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 49664807 167219368 /nfs/dbraw/zinc/21/93/68/167219368.db2.gz OVGAIJJAYVSGPV-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]C2CC2)C[C@@H]1C 73655766 167219721 /nfs/dbraw/zinc/21/97/21/167219721.db2.gz GMOGGGMKQZABKG-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 73653792 167219724 /nfs/dbraw/zinc/21/97/24/167219724.db2.gz XTZQKXWHGCWCPN-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 53012512 167220480 /nfs/dbraw/zinc/22/04/80/167220480.db2.gz JIWKXABVLMNGCC-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC2)C1 53012510 167220588 /nfs/dbraw/zinc/22/05/88/167220588.db2.gz RJFDOUBKPOWXNX-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 53012511 167221320 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/nfs/dbraw/zinc/27/16/59/167271659.db2.gz BJPSXDNMNIVIHP-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CCC[C@@H]1C 52375581 167271663 /nfs/dbraw/zinc/27/16/63/167271663.db2.gz BJPSXDNMNIVIHP-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 53653974 167271919 /nfs/dbraw/zinc/27/19/19/167271919.db2.gz BYADGWWAXXOMCC-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP CC[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 53654021 167271975 /nfs/dbraw/zinc/27/19/75/167271975.db2.gz LMUHGSKEWYXZPT-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@@](C)(CC)C[N@@H+](C)CC 51215013 167272227 /nfs/dbraw/zinc/27/22/27/167272227.db2.gz UUNSWKBBLHQPAU-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CC[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 52376850 167272324 /nfs/dbraw/zinc/27/23/24/167272324.db2.gz BBKVPQVMCCNYLP-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 53654024 167272551 /nfs/dbraw/zinc/27/25/51/167272551.db2.gz LMUHGSKEWYXZPT-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H](C)n1c[nH+]c(C)c1C 52593770 167272602 /nfs/dbraw/zinc/27/26/02/167272602.db2.gz KLTWTYSXGSVRFT-QMMMGPOBSA-N 2 1 181.283 1.670 10 0 ADAEMP CC[NH2+]C[C@@H]1CC[N@H+](C2CCCC2)C1 53012535 167272739 /nfs/dbraw/zinc/27/27/39/167272739.db2.gz DGEMRBSKTJIJAU-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 53034378 167273865 /nfs/dbraw/zinc/27/38/65/167273865.db2.gz CLOKCPMSTAVNRG-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCC2)C1 53035216 167274315 /nfs/dbraw/zinc/27/43/15/167274315.db2.gz ZXIZPKYDJVAVGU-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37485320 167275046 /nfs/dbraw/zinc/27/50/46/167275046.db2.gz UHRQYANQQODHMS-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)C1 53010291 167275149 /nfs/dbraw/zinc/27/51/49/167275149.db2.gz SAJIXGFTRMIADT-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@H+](C2CCCC2)C1 53012536 167275325 /nfs/dbraw/zinc/27/53/25/167275325.db2.gz DGEMRBSKTJIJAU-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)CC 51215012 167275714 /nfs/dbraw/zinc/27/57/14/167275714.db2.gz UUNSWKBBLHQPAU-NSHDSACASA-N 2 1 186.343 1.964 10 0 ADAEMP CC[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 40621949 167275722 /nfs/dbraw/zinc/27/57/22/167275722.db2.gz HBNPRPSZHJPXCD-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]Cc1ccc2c(c1)C[N@H+](C)C2 58011731 167278082 /nfs/dbraw/zinc/27/80/82/167278082.db2.gz PINXAVOATCOXDB-UHFFFAOYSA-N 2 1 190.290 1.742 10 0 ADAEMP CC[NH2+][C@@H](C)CCn1cc[nH+]c1C 43993835 167279435 /nfs/dbraw/zinc/27/94/35/167279435.db2.gz PAAMXDMYLFNMNM-VIFPVBQESA-N 2 1 181.283 1.580 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)CC(C)C 43886958 167279700 /nfs/dbraw/zinc/27/97/00/167279700.db2.gz OELCXECLKFRAIP-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+](C)C(C)C 43813409 167280214 /nfs/dbraw/zinc/28/02/14/167280214.db2.gz HLSIRDHCYXCDBU-VIFPVBQESA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+](C)C(C)C 43813409 167280216 /nfs/dbraw/zinc/28/02/16/167280216.db2.gz HLSIRDHCYXCDBU-VIFPVBQESA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)CCn1cc[nH+]c1CC 44036224 167280338 /nfs/dbraw/zinc/28/03/38/167280338.db2.gz XSMJMVBQYSPCMI-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CC[NH2+][C@@H](C)CCCn1cc[nH+]c1C 45603884 167280883 /nfs/dbraw/zinc/28/08/83/167280883.db2.gz NHPDLROLWRBOKO-JTQLQIEISA-N 2 1 195.310 1.970 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@@H+](CC)C1CC1 43822007 167281399 /nfs/dbraw/zinc/28/13/99/167281399.db2.gz LWIRZONKYACJEK-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)C1CC1 43823396 167281534 /nfs/dbraw/zinc/28/15/34/167281534.db2.gz ZRUWMSLINHBOAC-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@H+]1CCC[C@@H]1C 43903434 167282072 /nfs/dbraw/zinc/28/20/72/167282072.db2.gz LGZFPBFMHKFLSS-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)CC[N@@H+](C)C(C)C 43813583 167282348 /nfs/dbraw/zinc/28/23/48/167282348.db2.gz IFAFJGMNUXETEM-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[NH+]1CCCCC1 43814415 167282748 /nfs/dbraw/zinc/28/27/48/167282748.db2.gz ZGCZCVAREFQXFZ-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)n1cc[nH+]c1C 43993880 167282780 /nfs/dbraw/zinc/28/27/80/167282780.db2.gz RXKOYETYCATWSU-DTWKUNHWSA-N 2 1 181.283 1.751 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[NH+]1CCCCC1 43814411 167283200 /nfs/dbraw/zinc/28/32/00/167283200.db2.gz ZGCZCVAREFQXFZ-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)C(C)C 43813618 167283453 /nfs/dbraw/zinc/28/34/53/167283453.db2.gz XAOYOJPUIIGRAF-VHSXEESVSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)C(C)C 43813618 167283455 /nfs/dbraw/zinc/28/34/55/167283455.db2.gz XAOYOJPUIIGRAF-VHSXEESVSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@@H](C)Cn1cc[nH+]c1C 43993839 167283477 /nfs/dbraw/zinc/28/34/77/167283477.db2.gz ITAOMYJHQOMKGL-QMMMGPOBSA-N 2 1 167.256 1.190 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCC[C@@H]1C 43903508 167283484 /nfs/dbraw/zinc/28/34/84/167283484.db2.gz HAIDJMSWCIBOGB-GARJFASQSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](CC)C1 37208484 167283626 /nfs/dbraw/zinc/28/36/26/167283626.db2.gz YBIWJYVMJITBBJ-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+](C)C(C)C 43813622 167283730 /nfs/dbraw/zinc/28/37/30/167283730.db2.gz XAOYOJPUIIGRAF-UWVGGRQHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)C(C)C 43813622 167283732 /nfs/dbraw/zinc/28/37/32/167283732.db2.gz XAOYOJPUIIGRAF-UWVGGRQHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CCCC1(C)C 63066708 167284114 /nfs/dbraw/zinc/28/41/14/167284114.db2.gz ISNCRAGTJXUYOQ-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 43903516 167284359 /nfs/dbraw/zinc/28/43/59/167284359.db2.gz HAIDJMSWCIBOGB-DCAQKATOSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 37208488 167284386 /nfs/dbraw/zinc/28/43/86/167284386.db2.gz DEHPLXLJZPSKJW-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](CC)C1CC1 43822066 167284422 /nfs/dbraw/zinc/28/44/22/167284422.db2.gz JEGAWHWKDHJXQV-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](CC)C1CC1 43822066 167284425 /nfs/dbraw/zinc/28/44/25/167284425.db2.gz JEGAWHWKDHJXQV-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+](C)CC 43820745 167284663 /nfs/dbraw/zinc/28/46/63/167284663.db2.gz NJOBNDQNOFAFAU-IUCAKERBSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](C)CC 43820745 167284665 /nfs/dbraw/zinc/28/46/65/167284665.db2.gz NJOBNDQNOFAFAU-IUCAKERBSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 37208486 167284760 /nfs/dbraw/zinc/28/47/60/167284760.db2.gz DEHPLXLJZPSKJW-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@H+](CC)C1CC1 43822072 167284918 /nfs/dbraw/zinc/28/49/18/167284918.db2.gz JEGAWHWKDHJXQV-UWVGGRQHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[N@@H+](CC)C1CC1 43822072 167284921 /nfs/dbraw/zinc/28/49/21/167284921.db2.gz JEGAWHWKDHJXQV-UWVGGRQHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)n1cc[nH+]c1C 43993884 167285053 /nfs/dbraw/zinc/28/50/53/167285053.db2.gz RXKOYETYCATWSU-IUCAKERBSA-N 2 1 181.283 1.751 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)CC 43820741 167285083 /nfs/dbraw/zinc/28/50/83/167285083.db2.gz NJOBNDQNOFAFAU-DTWKUNHWSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)CC 43820741 167285085 /nfs/dbraw/zinc/28/50/85/167285085.db2.gz NJOBNDQNOFAFAU-DTWKUNHWSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@@H](C)Cn1c[nH+]c(C)c1C 51926634 167285104 /nfs/dbraw/zinc/28/51/04/167285104.db2.gz KCLTWRHYEZQCMA-QMMMGPOBSA-N 2 1 181.283 1.498 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H]1C 43903162 167285360 /nfs/dbraw/zinc/28/53/60/167285360.db2.gz QHEPNMOHDHIHSZ-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H]1C 43903162 167285363 /nfs/dbraw/zinc/28/53/63/167285363.db2.gz QHEPNMOHDHIHSZ-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)C[NH+]1CCCC1 42320677 167285399 /nfs/dbraw/zinc/28/53/99/167285399.db2.gz FHLLIKPTVRHCMB-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 37208482 167285496 /nfs/dbraw/zinc/28/54/96/167285496.db2.gz YBIWJYVMJITBBJ-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](CC)Cn1cc[nH+]c1C 50180212 167286047 /nfs/dbraw/zinc/28/60/47/167286047.db2.gz IHRQEAODAHSYFM-JTQLQIEISA-N 2 1 181.283 1.580 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+](C)CC1CC1 50179413 167286083 /nfs/dbraw/zinc/28/60/83/167286083.db2.gz BDZIOYHOUUCSJX-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+](C)CC1CC1 50179413 167286085 /nfs/dbraw/zinc/28/60/85/167286085.db2.gz BDZIOYHOUUCSJX-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H](CC)Cn1c[nH+]c(C)c1C 51926274 167286350 /nfs/dbraw/zinc/28/63/50/167286350.db2.gz AKWKQNGCLSJRMP-NSHDSACASA-N 2 1 195.310 1.888 10 0 ADAEMP CC[NH2+][C@@H](CC)C[NH+](CC)CC 50166304 167286819 /nfs/dbraw/zinc/28/68/19/167286819.db2.gz VOYFXNUIKJVZQL-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+](C)C(C)C 50166395 167287129 /nfs/dbraw/zinc/28/71/29/167287129.db2.gz ZEGNXRTZWSWQPJ-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+](C)C(C)C 50166395 167287133 /nfs/dbraw/zinc/28/71/33/167287133.db2.gz ZEGNXRTZWSWQPJ-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+]1CCC[C@@H]1C 50179401 167287648 /nfs/dbraw/zinc/28/76/48/167287648.db2.gz HWYZGRNAMHFSIS-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+]1CCC[C@@H]1C 50179401 167287653 /nfs/dbraw/zinc/28/76/53/167287653.db2.gz HWYZGRNAMHFSIS-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@H+](C)CC(C)C 50179227 167288485 /nfs/dbraw/zinc/28/84/85/167288485.db2.gz RKWWUXBXICHPRU-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@@H](CC)C[N@@H+](C)CC(C)C 50179227 167288488 /nfs/dbraw/zinc/28/84/88/167288488.db2.gz RKWWUXBXICHPRU-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@@H](CC)Cn1cc[nH+]c1CC 50180636 167288920 /nfs/dbraw/zinc/28/89/20/167288920.db2.gz IQZMYIOEYITVSQ-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CC[NH2+][C@@H](CC)C[NH+]1CCCC1 50166284 167288948 /nfs/dbraw/zinc/28/89/48/167288948.db2.gz XQDBTMKGNHGMNZ-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC[NH2+][C@@H](CC)C[NH+]1CCCCC1 50166405 167288957 /nfs/dbraw/zinc/28/89/57/167288957.db2.gz IQUZKZPWMVUUEO-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1C 49694101 167289257 /nfs/dbraw/zinc/28/92/57/167289257.db2.gz QEIWEEWYJFUZHL-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 37241661 167289277 /nfs/dbraw/zinc/28/92/77/167289277.db2.gz QDLATIDNMFTURM-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 37241661 167289280 /nfs/dbraw/zinc/28/92/80/167289280.db2.gz QDLATIDNMFTURM-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 35733648 167289312 /nfs/dbraw/zinc/28/93/12/167289312.db2.gz FFCPDRZOKPAFSP-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CC2)C1 35733648 167289314 /nfs/dbraw/zinc/28/93/14/167289314.db2.gz FFCPDRZOKPAFSP-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CCCCC[C@H]1[NH+](C)C 43816003 167289384 /nfs/dbraw/zinc/28/93/84/167289384.db2.gz PDSLKXUHJYGQGH-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1C 49709009 167289452 /nfs/dbraw/zinc/28/94/52/167289452.db2.gz RISFQGOISJLOKZ-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C 49708948 167289550 /nfs/dbraw/zinc/28/95/50/167289550.db2.gz GAGYPODCWKQJFU-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694201 167289597 /nfs/dbraw/zinc/28/95/97/167289597.db2.gz PITJZPYBBRRRRU-GHMZBOCLSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@@H]1C 49694187 167289628 /nfs/dbraw/zinc/28/96/28/167289628.db2.gz DIGXQUUNGYRLKM-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 37240232 167289708 /nfs/dbraw/zinc/28/97/08/167289708.db2.gz FKSRAIBKYGVZAR-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 37240232 167289709 /nfs/dbraw/zinc/28/97/09/167289709.db2.gz FKSRAIBKYGVZAR-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H]1C 52289018 167289767 /nfs/dbraw/zinc/28/97/67/167289767.db2.gz GQFQKDYRXBQSJV-NNYUYHANSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 76592032 167289854 /nfs/dbraw/zinc/28/98/54/167289854.db2.gz OAOKQMPKPBMJLI-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCC2)C[C@@H]1C 52210768 167289889 /nfs/dbraw/zinc/28/98/89/167289889.db2.gz ISBTWGPVZMGAFU-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](CC2CCC2)C1 37242454 167290025 /nfs/dbraw/zinc/29/00/25/167290025.db2.gz FYMFZCZFZYXFPK-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCC2)C1 37242454 167290027 /nfs/dbraw/zinc/29/00/27/167290027.db2.gz FYMFZCZFZYXFPK-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 36997057 167290093 /nfs/dbraw/zinc/29/00/93/167290093.db2.gz CRPNVBNTTLNVKZ-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@H]1C 242648799 167290156 /nfs/dbraw/zinc/29/01/56/167290156.db2.gz RISFQGOISJLOKZ-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)CC)C1 37241715 167290481 /nfs/dbraw/zinc/29/04/81/167290481.db2.gz SHGGAIYQWDMQOO-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C(C)(C)CC)C1 37241715 167290484 /nfs/dbraw/zinc/29/04/84/167290484.db2.gz SHGGAIYQWDMQOO-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1C 43994177 167290793 /nfs/dbraw/zinc/29/07/93/167290793.db2.gz YKEDPWTVXWWBPS-GHMZBOCLSA-N 2 1 193.294 1.895 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](C(C)(C)C)C1 70584687 167291082 /nfs/dbraw/zinc/29/10/82/167291082.db2.gz IVUMIBIHKDVQJD-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](C(C)(C)C)C1 70584687 167291086 /nfs/dbraw/zinc/29/10/86/167291086.db2.gz IVUMIBIHKDVQJD-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCCC1 43807284 167291249 /nfs/dbraw/zinc/29/12/49/167291249.db2.gz IUZZEISIOSHFSQ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](CC(C)C)C1 70584375 167291321 /nfs/dbraw/zinc/29/13/21/167291321.db2.gz FAMLLQRMJUQOAG-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](CC(C)C)C1 70584375 167291323 /nfs/dbraw/zinc/29/13/23/167291323.db2.gz FAMLLQRMJUQOAG-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CC2)C[C@@H]1C 49708974 167291343 /nfs/dbraw/zinc/29/13/43/167291343.db2.gz SOCACYRQLZXIDO-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](C(C)C)C1 70584735 167291349 /nfs/dbraw/zinc/29/13/49/167291349.db2.gz WDCFTOLJDNOJCO-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](C(C)C)C1 70584735 167291350 /nfs/dbraw/zinc/29/13/50/167291350.db2.gz WDCFTOLJDNOJCO-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 37258657 167291361 /nfs/dbraw/zinc/29/13/61/167291361.db2.gz PABJRMNTOGSZME-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 37258657 167291363 /nfs/dbraw/zinc/29/13/63/167291363.db2.gz PABJRMNTOGSZME-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1[NH+]1CCCC1 43807288 167291388 /nfs/dbraw/zinc/29/13/88/167291388.db2.gz IUZZEISIOSHFSQ-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@H](C)C1 49708963 167291416 /nfs/dbraw/zinc/29/14/16/167291416.db2.gz UPDYRBLXXJCEPE-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](C)C1 49708999 167291499 /nfs/dbraw/zinc/29/14/99/167291499.db2.gz BBCMVAWZCIIHCJ-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1C 43994173 167291605 /nfs/dbraw/zinc/29/16/05/167291605.db2.gz YKEDPWTVXWWBPS-MNOVXSKESA-N 2 1 193.294 1.895 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](CC(C)C)C1 37241644 167291761 /nfs/dbraw/zinc/29/17/61/167291761.db2.gz CKQLSSUTKDQSTH-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC(C)C)C1 37241644 167291764 /nfs/dbraw/zinc/29/17/64/167291764.db2.gz CKQLSSUTKDQSTH-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H]1CCCCC[C@@H]1[NH+](C)C 43816001 167291882 /nfs/dbraw/zinc/29/18/82/167291882.db2.gz PDSLKXUHJYGQGH-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C 36907441 167291974 /nfs/dbraw/zinc/29/19/74/167291974.db2.gz IKPQQDATSCQCNF-IVZWLZJFSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)C1CC1 43823058 167292010 /nfs/dbraw/zinc/29/20/10/167292010.db2.gz SWZMQVYXZPXBKR-GHMZBOCLSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)C1CC1 43823058 167292012 /nfs/dbraw/zinc/29/20/12/167292012.db2.gz SWZMQVYXZPXBKR-GHMZBOCLSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C 242495312 167292065 /nfs/dbraw/zinc/29/20/65/167292065.db2.gz GAGYPODCWKQJFU-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C1CC1 43823052 167292120 /nfs/dbraw/zinc/29/21/20/167292120.db2.gz SWZMQVYXZPXBKR-MNOVXSKESA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)C1CC1 43823052 167292122 /nfs/dbraw/zinc/29/21/22/167292122.db2.gz SWZMQVYXZPXBKR-MNOVXSKESA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 37242336 167292243 /nfs/dbraw/zinc/29/22/43/167292243.db2.gz DWGQYLNDUMGVBU-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)C(C)C)C1 37242336 167292244 /nfs/dbraw/zinc/29/22/44/167292244.db2.gz DWGQYLNDUMGVBU-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 49694178 167292304 /nfs/dbraw/zinc/29/23/04/167292304.db2.gz GFIXYKWAEVBRHO-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C 50270076 167293181 /nfs/dbraw/zinc/29/31/81/167293181.db2.gz QEHRCPLQRSTKCO-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@H](C)C1 50270060 167293479 /nfs/dbraw/zinc/29/34/79/167293479.db2.gz CULHEOYFJAJCAO-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)C1 50270062 167293677 /nfs/dbraw/zinc/29/36/77/167293677.db2.gz CULHEOYFJAJCAO-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C 50270074 167293812 /nfs/dbraw/zinc/29/38/12/167293812.db2.gz QEHRCPLQRSTKCO-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 36907439 167294284 /nfs/dbraw/zinc/29/42/84/167294284.db2.gz IKPQQDATSCQCNF-LPEHRKFASA-N 2 1 170.300 1.325 10 0 ADAEMP CC[NH2+][C@H](C)CCn1cc[nH+]c1CC 44036220 167295352 /nfs/dbraw/zinc/29/53/52/167295352.db2.gz XSMJMVBQYSPCMI-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CC[NH2+][C@H](C)C[NH+]1CCCC1 42320681 167295421 /nfs/dbraw/zinc/29/54/21/167295421.db2.gz FHLLIKPTVRHCMB-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+](CC)C1CC1 43822069 167295468 /nfs/dbraw/zinc/29/54/68/167295468.db2.gz JEGAWHWKDHJXQV-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](CC)C1CC1 43822069 167295472 /nfs/dbraw/zinc/29/54/72/167295472.db2.gz JEGAWHWKDHJXQV-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](C)CC 43820690 167295478 /nfs/dbraw/zinc/29/54/78/167295478.db2.gz KWPXBOIRLRCFGE-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+](C)C(C)C 43813411 167295797 /nfs/dbraw/zinc/29/57/97/167295797.db2.gz HLSIRDHCYXCDBU-SECBINFHSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+](C)C(C)C 43813411 167295799 /nfs/dbraw/zinc/29/57/99/167295799.db2.gz HLSIRDHCYXCDBU-SECBINFHSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+](CC)C1CC1 43822075 167295815 /nfs/dbraw/zinc/29/58/15/167295815.db2.gz JEGAWHWKDHJXQV-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+](CC)C1CC1 43822075 167295818 /nfs/dbraw/zinc/29/58/18/167295818.db2.gz JEGAWHWKDHJXQV-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[NH+]1CCCCC1 43814413 167295985 /nfs/dbraw/zinc/29/59/85/167295985.db2.gz ZGCZCVAREFQXFZ-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)Cn1c[nH+]c(C)c1C 51926635 167295992 /nfs/dbraw/zinc/29/59/92/167295992.db2.gz KCLTWRHYEZQCMA-MRVPVSSYSA-N 2 1 181.283 1.498 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@H+]1CCC[C@@H]1C 43903438 167296107 /nfs/dbraw/zinc/29/61/07/167296107.db2.gz LGZFPBFMHKFLSS-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+]1CCC[C@@H]1C 43903166 167296139 /nfs/dbraw/zinc/29/61/39/167296139.db2.gz QHEPNMOHDHIHSZ-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCC[C@@H]1C 43903166 167296142 /nfs/dbraw/zinc/29/61/42/167296142.db2.gz QHEPNMOHDHIHSZ-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 37208487 167296207 /nfs/dbraw/zinc/29/62/07/167296207.db2.gz DEHPLXLJZPSKJW-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+](C)C(C)C 43813624 167296224 /nfs/dbraw/zinc/29/62/24/167296224.db2.gz XAOYOJPUIIGRAF-ZJUUUORDSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+](C)C(C)C 43813624 167296226 /nfs/dbraw/zinc/29/62/26/167296226.db2.gz XAOYOJPUIIGRAF-ZJUUUORDSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@H](C)CCn1cc[nH+]c1C 43993837 167296298 /nfs/dbraw/zinc/29/62/98/167296298.db2.gz PAAMXDMYLFNMNM-SECBINFHSA-N 2 1 181.283 1.580 10 0 ADAEMP CC[NH2+][C@H](C)Cn1cc[nH+]c1CC 44036228 167296330 /nfs/dbraw/zinc/29/63/30/167296330.db2.gz TWTPDEYRQBPZTO-SECBINFHSA-N 2 1 181.283 1.444 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+]1CCCC1(C)C 63066709 167296432 /nfs/dbraw/zinc/29/64/32/167296432.db2.gz ISNCRAGTJXUYOQ-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](CC)C1CC1 43822010 167296696 /nfs/dbraw/zinc/29/66/96/167296696.db2.gz LWIRZONKYACJEK-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)CCCn1cc[nH+]c1C 45603886 167296706 /nfs/dbraw/zinc/29/67/06/167296706.db2.gz NHPDLROLWRBOKO-SNVBAGLBSA-N 2 1 195.310 1.970 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)n1cc[nH+]c1C 43993886 167296759 /nfs/dbraw/zinc/29/67/59/167296759.db2.gz RXKOYETYCATWSU-BDAKNGLRSA-N 2 1 181.283 1.751 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](CC)C1 37208485 167296797 /nfs/dbraw/zinc/29/67/97/167296797.db2.gz YBIWJYVMJITBBJ-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](C)C1CC1 43823401 167296809 /nfs/dbraw/zinc/29/68/09/167296809.db2.gz ZRUWMSLINHBOAC-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+](C)C(C)C 43813620 167296829 /nfs/dbraw/zinc/29/68/29/167296829.db2.gz XAOYOJPUIIGRAF-NXEZZACHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)C(C)C 43813620 167296831 /nfs/dbraw/zinc/29/68/31/167296831.db2.gz XAOYOJPUIIGRAF-NXEZZACHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](C)C(C)C 43813585 167296845 /nfs/dbraw/zinc/29/68/45/167296845.db2.gz IFAFJGMNUXETEM-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[NH+]1CCCCC1 43814417 167296850 /nfs/dbraw/zinc/29/68/50/167296850.db2.gz ZGCZCVAREFQXFZ-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+](C)CC 43820748 167296867 /nfs/dbraw/zinc/29/68/67/167296867.db2.gz NJOBNDQNOFAFAU-BDAKNGLRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@@H+](C)CC 43820748 167296868 /nfs/dbraw/zinc/29/68/68/167296868.db2.gz NJOBNDQNOFAFAU-BDAKNGLRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CC)C1 37208483 167296906 /nfs/dbraw/zinc/29/69/06/167296906.db2.gz YBIWJYVMJITBBJ-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](C)CC(C)C 43886960 167297012 /nfs/dbraw/zinc/29/70/12/167297012.db2.gz OELCXECLKFRAIP-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)n1cc[nH+]c1C 43993882 167297038 /nfs/dbraw/zinc/29/70/38/167297038.db2.gz RXKOYETYCATWSU-RKDXNWHRSA-N 2 1 181.283 1.751 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+](C)CC 43820742 167297124 /nfs/dbraw/zinc/29/71/24/167297124.db2.gz NJOBNDQNOFAFAU-RKDXNWHRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@@H+](C)CC 43820742 167297126 /nfs/dbraw/zinc/29/71/26/167297126.db2.gz NJOBNDQNOFAFAU-RKDXNWHRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CCC[C@@H]1C 43903521 167297315 /nfs/dbraw/zinc/29/73/15/167297315.db2.gz HAIDJMSWCIBOGB-AXFHLTTASA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 37208489 167297328 /nfs/dbraw/zinc/29/73/28/167297328.db2.gz DEHPLXLJZPSKJW-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H](C)Cn1cc[nH+]c1C 43993841 167297357 /nfs/dbraw/zinc/29/73/57/167297357.db2.gz ITAOMYJHQOMKGL-MRVPVSSYSA-N 2 1 167.256 1.190 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CCC[C@@H]1C 43903512 167297376 /nfs/dbraw/zinc/29/73/76/167297376.db2.gz HAIDJMSWCIBOGB-HBNTYKKESA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H](CC)Cn1cc[nH+]c1C 50180213 167297644 /nfs/dbraw/zinc/29/76/44/167297644.db2.gz IHRQEAODAHSYFM-SNVBAGLBSA-N 2 1 181.283 1.580 10 0 ADAEMP CC[NH2+][C@H](CC)C[NH+]1CCCC1 50166286 167297743 /nfs/dbraw/zinc/29/77/43/167297743.db2.gz XQDBTMKGNHGMNZ-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+]1CCC[C@@H]1C 50179402 167297888 /nfs/dbraw/zinc/29/78/88/167297888.db2.gz HWYZGRNAMHFSIS-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+]1CCC[C@@H]1C 50179402 167297891 /nfs/dbraw/zinc/29/78/91/167297891.db2.gz HWYZGRNAMHFSIS-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H](CC)Cn1c[nH+]c(C)c1C 51926275 167297965 /nfs/dbraw/zinc/29/79/65/167297965.db2.gz AKWKQNGCLSJRMP-LLVKDONJSA-N 2 1 195.310 1.888 10 0 ADAEMP CC[NH2+][C@H](CC)Cn1cc[nH+]c1CC 50180635 167298369 /nfs/dbraw/zinc/29/83/69/167298369.db2.gz IQZMYIOEYITVSQ-SNVBAGLBSA-N 2 1 195.310 1.834 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+](C)C(C)C 50166397 167298405 /nfs/dbraw/zinc/29/84/05/167298405.db2.gz ZEGNXRTZWSWQPJ-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+](C)C(C)C 50166397 167298408 /nfs/dbraw/zinc/29/84/08/167298408.db2.gz ZEGNXRTZWSWQPJ-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+](C)CC1CC1 50179414 167298773 /nfs/dbraw/zinc/29/87/73/167298773.db2.gz BDZIOYHOUUCSJX-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+](C)CC1CC1 50179414 167298777 /nfs/dbraw/zinc/29/87/77/167298777.db2.gz BDZIOYHOUUCSJX-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@H+](C)CC(C)C 50179228 167298999 /nfs/dbraw/zinc/29/89/99/167298999.db2.gz RKWWUXBXICHPRU-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](CC)C[N@@H+](C)CC(C)C 50179228 167299001 /nfs/dbraw/zinc/29/90/01/167299001.db2.gz RKWWUXBXICHPRU-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH2+][C@H](CC)C[NH+](CC)CC 50166305 167299314 /nfs/dbraw/zinc/29/93/14/167299314.db2.gz VOYFXNUIKJVZQL-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[NH2+][C@H](CC)C[NH+]1CCCCC1 50166407 167299780 /nfs/dbraw/zinc/29/97/80/167299780.db2.gz IQUZKZPWMVUUEO-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C1CC1 43823055 167300287 /nfs/dbraw/zinc/30/02/87/167300287.db2.gz SWZMQVYXZPXBKR-QWRGUYRKSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)C1CC1 43823055 167300289 /nfs/dbraw/zinc/30/02/89/167300289.db2.gz SWZMQVYXZPXBKR-QWRGUYRKSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694202 167300407 /nfs/dbraw/zinc/30/04/07/167300407.db2.gz PITJZPYBBRRRRU-MNOVXSKESA-N 2 1 184.327 1.857 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C(C)(C)CC)C1 37241713 167300493 /nfs/dbraw/zinc/30/04/93/167300493.db2.gz SHGGAIYQWDMQOO-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C(C)(C)CC)C1 37241713 167300496 /nfs/dbraw/zinc/30/04/96/167300496.db2.gz SHGGAIYQWDMQOO-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C 242495313 167300782 /nfs/dbraw/zinc/30/07/82/167300782.db2.gz GAGYPODCWKQJFU-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](CC(C)C)C1 70584376 167300904 /nfs/dbraw/zinc/30/09/04/167300904.db2.gz FAMLLQRMJUQOAG-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](CC(C)C)C1 70584376 167300906 /nfs/dbraw/zinc/30/09/06/167300906.db2.gz FAMLLQRMJUQOAG-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H]1CCCCC[C@@H]1[NH+](C)C 43816002 167300921 /nfs/dbraw/zinc/30/09/21/167300921.db2.gz PDSLKXUHJYGQGH-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 37240234 167300937 /nfs/dbraw/zinc/30/09/37/167300937.db2.gz FKSRAIBKYGVZAR-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 37240234 167300939 /nfs/dbraw/zinc/30/09/39/167300939.db2.gz FKSRAIBKYGVZAR-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC)[C@H](C)C1 49708965 167300980 /nfs/dbraw/zinc/30/09/80/167300980.db2.gz UPDYRBLXXJCEPE-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]1[NH+]1CCCC1 43807290 167301076 /nfs/dbraw/zinc/30/10/76/167301076.db2.gz IUZZEISIOSHFSQ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@@H]1C 49709011 167301143 /nfs/dbraw/zinc/30/11/43/167301143.db2.gz RISFQGOISJLOKZ-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 35733649 167301184 /nfs/dbraw/zinc/30/11/84/167301184.db2.gz FFCPDRZOKPAFSP-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 35733649 167301186 /nfs/dbraw/zinc/30/11/86/167301186.db2.gz FFCPDRZOKPAFSP-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](C)CC1 76592035 167301277 /nfs/dbraw/zinc/30/12/77/167301277.db2.gz OAOKQMPKPBMJLI-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](C)C1 49709001 167301362 /nfs/dbraw/zinc/30/13/62/167301362.db2.gz BBCMVAWZCIIHCJ-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]1[NH+]1CCCC1 43807286 167301397 /nfs/dbraw/zinc/30/13/97/167301397.db2.gz IUZZEISIOSHFSQ-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)C1CC1 43823060 167301578 /nfs/dbraw/zinc/30/15/78/167301578.db2.gz SWZMQVYXZPXBKR-WDEREUQCSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C1CC1 43823060 167301581 /nfs/dbraw/zinc/30/15/81/167301581.db2.gz SWZMQVYXZPXBKR-WDEREUQCSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 37258659 167301632 /nfs/dbraw/zinc/30/16/32/167301632.db2.gz PABJRMNTOGSZME-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 37258659 167301633 /nfs/dbraw/zinc/30/16/33/167301633.db2.gz PABJRMNTOGSZME-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@H](C)CC)C1 37241360 167301651 /nfs/dbraw/zinc/30/16/51/167301651.db2.gz BTGSHNSBGNTEAV-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@H](C)CC)C1 37241360 167301653 /nfs/dbraw/zinc/30/16/53/167301653.db2.gz BTGSHNSBGNTEAV-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 36997058 167301665 /nfs/dbraw/zinc/30/16/65/167301665.db2.gz CRPNVBNTTLNVKZ-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[NH2+][C@H]1CCCCC[C@H]1[NH+](C)C 43816004 167301679 /nfs/dbraw/zinc/30/16/79/167301679.db2.gz PDSLKXUHJYGQGH-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC)C1 37241361 167301684 /nfs/dbraw/zinc/30/16/84/167301684.db2.gz BTGSHNSBGNTEAV-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC)C1 37241361 167301686 /nfs/dbraw/zinc/30/16/86/167301686.db2.gz BTGSHNSBGNTEAV-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CCC2)C[C@@H]1C 52210771 167301724 /nfs/dbraw/zinc/30/17/24/167301724.db2.gz ISBTWGPVZMGAFU-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 49694180 167301783 /nfs/dbraw/zinc/30/17/83/167301783.db2.gz GFIXYKWAEVBRHO-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](C(C)C)C1 70584736 167301923 /nfs/dbraw/zinc/30/19/23/167301923.db2.gz WDCFTOLJDNOJCO-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](C(C)C)C1 70584736 167301927 /nfs/dbraw/zinc/30/19/27/167301927.db2.gz WDCFTOLJDNOJCO-JTQLQIEISA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C[C@@H]1C 49694102 167301970 /nfs/dbraw/zinc/30/19/70/167301970.db2.gz QEIWEEWYJFUZHL-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 37242456 167302171 /nfs/dbraw/zinc/30/21/71/167302171.db2.gz FYMFZCZFZYXFPK-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 37242456 167302173 /nfs/dbraw/zinc/30/21/73/167302173.db2.gz FYMFZCZFZYXFPK-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C 49708949 167302187 /nfs/dbraw/zinc/30/21/87/167302187.db2.gz GAGYPODCWKQJFU-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](CC(C)C)C1 37241645 167302198 /nfs/dbraw/zinc/30/21/98/167302198.db2.gz CKQLSSUTKDQSTH-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 37241645 167302200 /nfs/dbraw/zinc/30/22/00/167302200.db2.gz CKQLSSUTKDQSTH-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C 49694188 167302363 /nfs/dbraw/zinc/30/23/63/167302363.db2.gz DIGXQUUNGYRLKM-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1C 43994179 167302379 /nfs/dbraw/zinc/30/23/79/167302379.db2.gz YKEDPWTVXWWBPS-WDEREUQCSA-N 2 1 193.294 1.895 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H]1C 52289020 167302435 /nfs/dbraw/zinc/30/24/35/167302435.db2.gz GQFQKDYRXBQSJV-FIQHERPVSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@H]1C 242648798 167302452 /nfs/dbraw/zinc/30/24/52/167302452.db2.gz RISFQGOISJLOKZ-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1C 43994175 167302509 /nfs/dbraw/zinc/30/25/09/167302509.db2.gz YKEDPWTVXWWBPS-QWRGUYRKSA-N 2 1 193.294 1.895 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 37242338 167302515 /nfs/dbraw/zinc/30/25/15/167302515.db2.gz DWGQYLNDUMGVBU-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 37242338 167302517 /nfs/dbraw/zinc/30/25/17/167302517.db2.gz DWGQYLNDUMGVBU-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](C(C)(C)C)C1 70584688 167302704 /nfs/dbraw/zinc/30/27/04/167302704.db2.gz IVUMIBIHKDVQJD-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](C(C)(C)C)C1 70584688 167302708 /nfs/dbraw/zinc/30/27/08/167302708.db2.gz IVUMIBIHKDVQJD-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CC2)C[C@@H]1C 49708976 167302746 /nfs/dbraw/zinc/30/27/46/167302746.db2.gz SOCACYRQLZXIDO-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 37241663 167303009 /nfs/dbraw/zinc/30/30/09/167303009.db2.gz QDLATIDNMFTURM-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 37241663 167303011 /nfs/dbraw/zinc/30/30/11/167303011.db2.gz QDLATIDNMFTURM-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@@H](C)C1 50270061 167303462 /nfs/dbraw/zinc/30/34/62/167303462.db2.gz CULHEOYFJAJCAO-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C 50270073 167303944 /nfs/dbraw/zinc/30/39/44/167303944.db2.gz QEHRCPLQRSTKCO-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@H](C)C1 50270059 167304398 /nfs/dbraw/zinc/30/43/98/167304398.db2.gz CULHEOYFJAJCAO-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCCC[C@H]1C 50270075 167304915 /nfs/dbraw/zinc/30/49/15/167304915.db2.gz QEHRCPLQRSTKCO-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP CCOCCC[N@@H+](C)[C@H](C)CC[NH3+] 49806340 167384958 /nfs/dbraw/zinc/38/49/58/167384958.db2.gz JFBKGKYPNWVRLY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCCC[N@@H+](C)[C@@H](C)CC[NH3+] 49806339 167385651 /nfs/dbraw/zinc/38/56/51/167385651.db2.gz JFBKGKYPNWVRLY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](C)[C@@](C)(CC)C[NH3+] 50091253 167388162 /nfs/dbraw/zinc/38/81/62/167388162.db2.gz VWWZYDYWNAVQAI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@@H+](C)[C@@](C)(CC)C[NH3+] 50091253 167388164 /nfs/dbraw/zinc/38/81/64/167388164.db2.gz VWWZYDYWNAVQAI-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](C)[C@](C)(CC)C[NH3+] 50091255 167388314 /nfs/dbraw/zinc/38/83/14/167388314.db2.gz VWWZYDYWNAVQAI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@@H+](C)[C@](C)(CC)C[NH3+] 50091255 167388315 /nfs/dbraw/zinc/38/83/15/167388315.db2.gz VWWZYDYWNAVQAI-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@H+](CC)C(C)(C)C[NH3+] 50090841 167390247 /nfs/dbraw/zinc/39/02/47/167390247.db2.gz XLFQRCFDSPEHBA-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CCOCC[N@@H+](CC)C(C)(C)C[NH3+] 50090841 167390249 /nfs/dbraw/zinc/39/02/49/167390249.db2.gz XLFQRCFDSPEHBA-UHFFFAOYSA-N 2 1 188.315 1.082 10 0 ADAEMP CC[C@@H](C[NH3+])n1c[nH+]c(C)c1C 51926111 167508418 /nfs/dbraw/zinc/50/84/18/167508418.db2.gz SMHVREBRHDQSJB-VIFPVBQESA-N 2 1 167.256 1.410 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[NH+]1CCCCC1 43813935 167531477 /nfs/dbraw/zinc/53/14/77/167531477.db2.gz YHUGTIUJXRJFMB-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@H]2CCCC[C@@H]21 134811318 343949820 /nfs/dbraw/zinc/94/98/20/343949820.db2.gz JSHCPNURPFBUQX-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](CC[NH3+])n1c[nH+]c(C)c1C 51926135 167643350 /nfs/dbraw/zinc/64/33/50/167643350.db2.gz MIQHKGQKSAGVLP-SNVBAGLBSA-N 2 1 181.283 1.800 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)n1cc[nH+]c1C 22564573 167657106 /nfs/dbraw/zinc/65/71/06/167657106.db2.gz HNSNIJPYQJNTJX-CBAPKCEASA-N 2 1 167.256 1.490 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@H+](CC)C1CC1 43821323 167662155 /nfs/dbraw/zinc/66/21/55/167662155.db2.gz KKDWWOCSZNGJNW-ONGXEEELSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](CC)C1CC1 43821323 167662159 /nfs/dbraw/zinc/66/21/59/167662159.db2.gz KKDWWOCSZNGJNW-ONGXEEELSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@H+](C)C(C)C 43813088 167662656 /nfs/dbraw/zinc/66/26/56/167662656.db2.gz SBHDZBGRGWXZSF-UWVGGRQHSA-N 2 1 172.316 1.713 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)[N@@H+](C)C(C)C 43813088 167662657 /nfs/dbraw/zinc/66/26/57/167662657.db2.gz SBHDZBGRGWXZSF-UWVGGRQHSA-N 2 1 172.316 1.713 10 0 ADAEMP CCc1[nH+]ccn1CC[C@@H](C)[NH2+]C 44036592 167779835 /nfs/dbraw/zinc/77/98/35/167779835.db2.gz LKQYIWYWSQVCMT-SECBINFHSA-N 2 1 181.283 1.444 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@H]1[NH2+]C 44037131 167782465 /nfs/dbraw/zinc/78/24/65/167782465.db2.gz NZUITKFVGKMREE-ZJUUUORDSA-N 2 1 193.294 1.759 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCCC[C@H]1[NH3+] 42419754 167782778 /nfs/dbraw/zinc/78/27/78/167782778.db2.gz RLXVRJYBRDCKNM-ZJUUUORDSA-N 2 1 193.294 1.888 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)[C@@H]([NH3+])CC 42419682 167783739 /nfs/dbraw/zinc/78/37/39/167783739.db2.gz KNCDWWNPCWCJQO-BDAKNGLRSA-N 2 1 181.283 1.744 10 0 ADAEMP CCc1[nH+]ccn1[C@H](CC)CC[NH3+] 42419614 167784386 /nfs/dbraw/zinc/78/43/86/167784386.db2.gz XBUHLNWYXHAKSC-SECBINFHSA-N 2 1 181.283 1.745 10 0 ADAEMP C[N@@H+](CCCCC(N)=[NH2+])CC1CC1 49579761 167876536 /nfs/dbraw/zinc/87/65/36/167876536.db2.gz JZVUQWBFTYCMFW-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP C[N@H+](Cc1ccoc1)CC(C)(C)C[NH3+] 51255589 167887342 /nfs/dbraw/zinc/88/73/42/167887342.db2.gz SNLDYXJUZDYMJC-UHFFFAOYSA-N 2 1 196.294 1.696 10 0 ADAEMP C[N@@H+](Cc1ccoc1)CC(C)(C)C[NH3+] 51255589 167887344 /nfs/dbraw/zinc/88/73/44/167887344.db2.gz SNLDYXJUZDYMJC-UHFFFAOYSA-N 2 1 196.294 1.696 10 0 ADAEMP C[N@@H+](Cc1ccoc1)C[C@@H]1CC[NH2+]C1 51890021 167888909 /nfs/dbraw/zinc/88/89/09/167888909.db2.gz APWXKEVQFSGPJC-SNVBAGLBSA-N 2 1 194.278 1.321 10 0 ADAEMP C[N@H+](Cc1ccoc1)C[C@@H]1CC[NH2+]C1 51890021 167888912 /nfs/dbraw/zinc/88/89/12/167888912.db2.gz APWXKEVQFSGPJC-SNVBAGLBSA-N 2 1 194.278 1.321 10 0 ADAEMP C[N@@H+](Cc1ccco1)C[C@H]1CC[NH2+]C1 51889938 167890395 /nfs/dbraw/zinc/89/03/95/167890395.db2.gz ZGSUBUFNRFVECB-JTQLQIEISA-N 2 1 194.278 1.321 10 0 ADAEMP C[N@H+](Cc1ccco1)C[C@H]1CC[NH2+]C1 51889938 167890397 /nfs/dbraw/zinc/89/03/97/167890397.db2.gz ZGSUBUFNRFVECB-JTQLQIEISA-N 2 1 194.278 1.321 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 82394740 167907349 /nfs/dbraw/zinc/90/73/49/167907349.db2.gz IQWIKONKNRNKLR-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccco1 82387114 167910190 /nfs/dbraw/zinc/91/01/90/167910190.db2.gz XNWLRYZGGTVXBT-KOLCDFICSA-N 2 1 194.278 1.621 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1ccco1 82387114 167910192 /nfs/dbraw/zinc/91/01/92/167910192.db2.gz XNWLRYZGGTVXBT-KOLCDFICSA-N 2 1 194.278 1.621 10 0 ADAEMP C[N@H+]1CC[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 76596830 167928100 /nfs/dbraw/zinc/92/81/00/167928100.db2.gz ZOABPDGLBFOLMU-AEJSXWLSSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+]1CC[C@](CC[NH3+])(c2ccco2)C1 77295477 167935528 /nfs/dbraw/zinc/93/55/28/167935528.db2.gz OOQKWMGDFVBXGA-NSHDSACASA-N 2 1 194.278 1.202 10 0 ADAEMP C[N@H+]1CCc2ccccc2[C@H]1CC[NH3+] 11802477 167936715 /nfs/dbraw/zinc/93/67/15/167936715.db2.gz JPDZZNNZQSJJNB-GFCCVEGCSA-N 2 1 190.290 1.564 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH2+]C[C@H](C1)C21CCCC1 75597220 167943472 /nfs/dbraw/zinc/94/34/72/167943472.db2.gz FGSIVDVCTHKSDX-PHIMTYICSA-N 2 1 194.322 1.328 10 0 ADAEMP C[NH2+]C1CC[NH+](CC=C(C)C)CC1 37184191 167982786 /nfs/dbraw/zinc/98/27/86/167982786.db2.gz KLVLQCQHDVAGKO-UHFFFAOYSA-N 2 1 182.311 1.636 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)CC(C)(C)C 45089705 167991321 /nfs/dbraw/zinc/99/13/21/167991321.db2.gz HAKQUBVPLZWZIT-UHFFFAOYSA-N 2 1 186.343 1.964 10 0 ADAEMP C[NH2+]CC[C@@H](C)n1cc[nH+]c1C 52576092 168000049 /nfs/dbraw/zinc/00/00/49/168000049.db2.gz HMLGOOHVRLOTTM-MRVPVSSYSA-N 2 1 167.256 1.362 10 0 ADAEMP C[NH2+]CC[C@@H](C)[NH+]1CCSCC1 52425558 168000061 /nfs/dbraw/zinc/00/00/61/168000061.db2.gz OKQBQUCHFMDFOK-SECBINFHSA-N 2 1 188.340 1.033 10 0 ADAEMP C[NH2+]CC[C@H](C)n1cc[nH+]c1C 52576091 168000130 /nfs/dbraw/zinc/00/01/30/168000130.db2.gz HMLGOOHVRLOTTM-QMMMGPOBSA-N 2 1 167.256 1.362 10 0 ADAEMP C[NH2+]CC[C@@H](C)n1c[nH+]c(C)c1C 52593499 168000235 /nfs/dbraw/zinc/00/02/35/168000235.db2.gz ZMVHKIGWRJPMPP-MRVPVSSYSA-N 2 1 181.283 1.670 10 0 ADAEMP C[NH2+]CC[C@H]([NH3+])c1cccs1 21985162 168000551 /nfs/dbraw/zinc/00/05/51/168000551.db2.gz YHENKZBBQSLIHA-ZETCQYMHSA-N 2 1 170.281 1.357 10 0 ADAEMP C[NH2+]CC[C@H](C)[N@H+]1CC[C@@H](C)C1 52484420 168000772 /nfs/dbraw/zinc/00/07/72/168000772.db2.gz RNDOWENPQYEGAE-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)n1c[nH+]c(C)c1C 52593871 168002705 /nfs/dbraw/zinc/00/27/05/168002705.db2.gz KDBZVGPNBKUDRE-NSHDSACASA-N 2 1 195.310 1.916 10 0 ADAEMP C[NH2+]CCn1c(C)[nH+]c(C)c1C 82655507 168003001 /nfs/dbraw/zinc/00/30/01/168003001.db2.gz CIFFAUAJTWSIQH-UHFFFAOYSA-N 2 1 167.256 1.028 10 0 ADAEMP C[NH2+]CCc1[nH]c2c([nH+]1)CCCC2 76121867 168003061 /nfs/dbraw/zinc/00/30/61/168003061.db2.gz BYEFOTXJKMVFDX-UHFFFAOYSA-N 2 1 179.267 1.050 10 0 ADAEMP C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C 52576301 168003112 /nfs/dbraw/zinc/00/31/12/168003112.db2.gz VQCWRUJVLMWXRR-MRVPVSSYSA-N 2 1 167.256 1.047 10 0 ADAEMP C[NH2+]C[C@@H](C)Cn1c[nH+]c(C)c1C 52593930 168003137 /nfs/dbraw/zinc/00/31/37/168003137.db2.gz NHDARZCXCGCDJR-MRVPVSSYSA-N 2 1 181.283 1.355 10 0 ADAEMP C[NH2+]CCn1c[nH+]cc1C(C)C 82655515 168003357 /nfs/dbraw/zinc/00/33/57/168003357.db2.gz AMVDIPCTSRLEOC-UHFFFAOYSA-N 2 1 167.256 1.226 10 0 ADAEMP C[NH2+]C[C@@H](C(C)C)n1cc[nH+]c1C 52576271 168003958 /nfs/dbraw/zinc/00/39/58/168003958.db2.gz LZQWSUMZXZMXAC-JTQLQIEISA-N 2 1 181.283 1.608 10 0 ADAEMP C[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 52376847 168003993 /nfs/dbraw/zinc/00/39/93/168003993.db2.gz AVDRGZAWJGEQBF-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@@H](C)n1c[nH+]c(C)c1C 52593766 168005228 /nfs/dbraw/zinc/00/52/28/168005228.db2.gz WCSFZQWSHVEJRZ-SSDOTTSWSA-N 2 1 167.256 1.280 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@@H+](CC=C(C)C)C1 40600068 168006399 /nfs/dbraw/zinc/00/63/99/168006399.db2.gz AYDWDOPDILGMAE-LBPRGKRZSA-N 2 1 196.338 1.884 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCCC2)C1 11891852 168006577 /nfs/dbraw/zinc/00/65/77/168006577.db2.gz KTJPLXASYIEAGB-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCCCC2)C1 11891858 168006866 /nfs/dbraw/zinc/00/68/66/168006866.db2.gz UFIORSCBRJUNCE-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)C)C1 53031525 168006930 /nfs/dbraw/zinc/00/69/30/168006930.db2.gz ZSLKXUBSZPNPTB-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCCC2)C1 40591860 168007045 /nfs/dbraw/zinc/00/70/45/168007045.db2.gz FKXWTGUZDQUGRF-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccco2)C1 11891891 168007366 /nfs/dbraw/zinc/00/73/66/168007366.db2.gz IJELMGSBMZVMKT-JTQLQIEISA-N 2 1 194.278 1.321 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccco2)C1 11891891 168007368 /nfs/dbraw/zinc/00/73/68/168007368.db2.gz IJELMGSBMZVMKT-JTQLQIEISA-N 2 1 194.278 1.321 10 0 ADAEMP C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 11888659 168007597 /nfs/dbraw/zinc/00/75/97/168007597.db2.gz ALCRPRCPSUGEJM-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C2CCC2)C1 53035209 168008174 /nfs/dbraw/zinc/00/81/74/168008174.db2.gz PMGDHHSDDREWEG-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)C1 11892082 168008308 /nfs/dbraw/zinc/00/83/08/168008308.db2.gz VXVRWBSDMAVKPY-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@@H]1CCCc2[nH+]c(C)n(C)c21 76089620 168008319 /nfs/dbraw/zinc/00/83/19/168008319.db2.gz JKOHEIUCOVNGTH-VIFPVBQESA-N 2 1 193.294 1.368 10 0 ADAEMP C[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 40669600 168008501 /nfs/dbraw/zinc/00/85/01/168008501.db2.gz XMAMKGHVERGQJO-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H](C)Cn1cc[nH+]c1C 52576300 168008568 /nfs/dbraw/zinc/00/85/68/168008568.db2.gz VQCWRUJVLMWXRR-QMMMGPOBSA-N 2 1 167.256 1.047 10 0 ADAEMP C[NH2+]C[C@H](C(C)C)n1cc[nH+]c1C 52576272 168009014 /nfs/dbraw/zinc/00/90/14/168009014.db2.gz LZQWSUMZXZMXAC-SNVBAGLBSA-N 2 1 181.283 1.608 10 0 ADAEMP C[NH2+]C[C@H](C)Cn1c[nH+]c(C)c1C 52593929 168009300 /nfs/dbraw/zinc/00/93/00/168009300.db2.gz NHDARZCXCGCDJR-QMMMGPOBSA-N 2 1 181.283 1.355 10 0 ADAEMP 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/nfs/dbraw/zinc/00/99/55/168009955.db2.gz NDYRMHNLXUAZDR-GUBZILKMSA-N 2 1 168.284 1.127 10 0 ADAEMP C[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 40669602 168010076 /nfs/dbraw/zinc/01/00/76/168010076.db2.gz XMAMKGHVERGQJO-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1CCC[C@@H]1C 52375578 168010598 /nfs/dbraw/zinc/01/05/98/168010598.db2.gz NTKYELJPYCSLOD-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+]C[C@H](C)[N@H+]1CCC[C@H]1C 52375577 168011442 /nfs/dbraw/zinc/01/14/42/168011442.db2.gz NTKYELJPYCSLOD-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+]C[C@H](C)n1c[nH+]c(C)c1C 52593764 168011465 /nfs/dbraw/zinc/01/14/65/168011465.db2.gz WCSFZQWSHVEJRZ-ZETCQYMHSA-N 2 1 167.256 1.280 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@@H+](CC=C(C)C)C1 40600066 168012515 /nfs/dbraw/zinc/01/25/15/168012515.db2.gz AYDWDOPDILGMAE-GFCCVEGCSA-N 2 1 196.338 1.884 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+](C2CCCC2)C1 40591862 168012701 /nfs/dbraw/zinc/01/27/01/168012701.db2.gz FKXWTGUZDQUGRF-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@@H+](CC(C)(C)C)C1 11888663 168012802 /nfs/dbraw/zinc/01/28/02/168012802.db2.gz ALCRPRCPSUGEJM-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(C)C)C1 40592433 168012899 /nfs/dbraw/zinc/01/28/99/168012899.db2.gz PWFLYUHVMMHMDG-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C2CC2)C1 40592757 168013137 /nfs/dbraw/zinc/01/31/37/168013137.db2.gz LISPZEZSHKSEGE-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@H]1CCCc2[nH+]c(C)n(C)c21 76089622 168013711 /nfs/dbraw/zinc/01/37/11/168013711.db2.gz JKOHEIUCOVNGTH-SECBINFHSA-N 2 1 193.294 1.368 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccco2)C1 11891895 168013718 /nfs/dbraw/zinc/01/37/18/168013718.db2.gz IJELMGSBMZVMKT-SNVBAGLBSA-N 2 1 194.278 1.321 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccco2)C1 11891895 168013720 /nfs/dbraw/zinc/01/37/20/168013720.db2.gz IJELMGSBMZVMKT-SNVBAGLBSA-N 2 1 194.278 1.321 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C2CCCCC2)C1 11891863 168013839 /nfs/dbraw/zinc/01/38/39/168013839.db2.gz UFIORSCBRJUNCE-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 53031142 168013959 /nfs/dbraw/zinc/01/39/59/168013959.db2.gz HDWVUTWCRFHXHW-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C(C)(C)C)C1 11892086 168014015 /nfs/dbraw/zinc/01/40/15/168014015.db2.gz VXVRWBSDMAVKPY-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C2CCC2)C1 53035211 168014161 /nfs/dbraw/zinc/01/41/61/168014161.db2.gz PMGDHHSDDREWEG-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 40669604 168014265 /nfs/dbraw/zinc/01/42/65/168014265.db2.gz XMAMKGHVERGQJO-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 53013318 168014301 /nfs/dbraw/zinc/01/43/01/168014301.db2.gz QLJYMWVQTHQIPR-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 40669606 168014313 /nfs/dbraw/zinc/01/43/13/168014313.db2.gz XMAMKGHVERGQJO-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CC2(C)C)C1 53034374 168014383 /nfs/dbraw/zinc/01/43/83/168014383.db2.gz AQVYEEYAUATALR-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)C)C1 53031524 168014485 /nfs/dbraw/zinc/01/44/85/168014485.db2.gz ZSLKXUBSZPNPTB-SNVBAGLBSA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CC2(C)C)C1 53034372 168014513 /nfs/dbraw/zinc/01/45/13/168014513.db2.gz AQVYEEYAUATALR-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C2CCCC2)C1 11891854 168014645 /nfs/dbraw/zinc/01/46/45/168014645.db2.gz KTJPLXASYIEAGB-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]Cc1cc2c(s1)C[N@@H+](C)CC2 45206009 168015880 /nfs/dbraw/zinc/01/58/80/168015880.db2.gz JUJLXEYEABIOIW-UHFFFAOYSA-N 2 1 196.319 1.455 10 0 ADAEMP C[NH2+]Cc1cc2c(s1)CC[N@H+](C)C2 45206000 168017310 /nfs/dbraw/zinc/01/73/10/168017310.db2.gz FLQBWBMAYYBECG-UHFFFAOYSA-N 2 1 196.319 1.455 10 0 ADAEMP C[NH2+]Cc1cc2c(s1)CC[N@@H+](C)C2 45206000 168017311 /nfs/dbraw/zinc/01/73/11/168017311.db2.gz FLQBWBMAYYBECG-UHFFFAOYSA-N 2 1 196.319 1.455 10 0 ADAEMP C[NH2+]Cc1ccoc1C[N@@H+](C)C1CC1 52445266 168019473 /nfs/dbraw/zinc/01/94/73/168019473.db2.gz CWWJADXRUYQRFE-UHFFFAOYSA-N 2 1 194.278 1.593 10 0 ADAEMP C[NH2+][C@@H](C)CCCCn1cc[nH+]c1C 45603898 168029870 /nfs/dbraw/zinc/02/98/70/168029870.db2.gz GXHIRBXTWBQVKI-JTQLQIEISA-N 2 1 195.310 1.970 10 0 ADAEMP C[NH2+][C@@H](C)CCC[N@@H+](C)C(C)C 45598767 168030950 /nfs/dbraw/zinc/03/09/50/168030950.db2.gz ZXEWCHIATKTYKF-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C1CCCCCC1 54077087 168031721 /nfs/dbraw/zinc/03/17/21/168031721.db2.gz FWWMQVXCLUTXDH-JTQLQIEISA-N 2 1 184.327 1.907 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)C1CCCC1 43883802 168031935 /nfs/dbraw/zinc/03/19/35/168031935.db2.gz IBIXJPRXZYUDDW-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)C(C)C 43813254 168032123 /nfs/dbraw/zinc/03/21/23/168032123.db2.gz NCGFGCYPNJDFCL-VIFPVBQESA-N 2 1 158.289 1.325 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 43894823 168032156 /nfs/dbraw/zinc/03/21/56/168032156.db2.gz XMBCKWCQOVZGAG-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C1CCCCC1 53493305 168032168 /nfs/dbraw/zinc/03/21/68/168032168.db2.gz LWXHUXDVCNWZOS-VIFPVBQESA-N 2 1 170.300 1.517 10 0 ADAEMP C[NH2+][C@@H](C)CCn1cc[nH+]c1C 43994061 168032178 /nfs/dbraw/zinc/03/21/78/168032178.db2.gz LAELDUCGJBLXJM-QMMMGPOBSA-N 2 1 167.256 1.190 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C1(C)CCCCC1 54077191 168032693 /nfs/dbraw/zinc/03/26/93/168032693.db2.gz VSUSNULKCFYECR-JTQLQIEISA-N 2 1 184.327 1.907 10 0 ADAEMP C[NH2+][C@@H](C)Cn1c[nH+]c(C)c1C 51926382 168032890 /nfs/dbraw/zinc/03/28/90/168032890.db2.gz GVGNSWOJQXLLOG-ZETCQYMHSA-N 2 1 167.256 1.108 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H](C)n1cc[nH+]c1C 43994111 168032933 /nfs/dbraw/zinc/03/29/33/168032933.db2.gz MVTBKMPCNFQMPM-JGVFFNPUSA-N 2 1 167.256 1.360 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H](C)[NH+]1CCCC1 43807218 168032949 /nfs/dbraw/zinc/03/29/49/168032949.db2.gz LLVKZZPOWCKMGC-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)C1CC1 43822903 168033073 /nfs/dbraw/zinc/03/30/73/168033073.db2.gz ARRJRUFRYAFNOA-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C)[C@@H](C)n1c[nH+]c(C)c1C 51926837 168033140 /nfs/dbraw/zinc/03/31/40/168033140.db2.gz FXMWDMXSXQQMGN-IONNQARKSA-N 2 1 181.283 1.669 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CC(C)C 43886689 168033231 /nfs/dbraw/zinc/03/32/31/168033231.db2.gz OCYSPAXCIRNLFE-JTQLQIEISA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+][C@@H](C)CCCn1c[nH+]c(C)c1C 51926293 168033382 /nfs/dbraw/zinc/03/33/82/168033382.db2.gz WJAYIWUXUNYCJO-VIFPVBQESA-N 2 1 195.310 1.888 10 0 ADAEMP C[NH2+][C@@H](C)CCn1c[nH+]c(C)c1C 51926815 168033444 /nfs/dbraw/zinc/03/34/44/168033444.db2.gz IUOMWYHRGZRRBT-QMMMGPOBSA-N 2 1 181.283 1.498 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C1CCCC1 53493294 168033462 /nfs/dbraw/zinc/03/34/62/168033462.db2.gz WQVJDHBBUAIRCW-QMMMGPOBSA-N 2 1 156.273 1.127 10 0 ADAEMP C[NH2+][C@@H](C)CC[N@@H+](C)CC(C)(C)C 45072933 168033469 /nfs/dbraw/zinc/03/34/69/168033469.db2.gz GJXNYQXFDFCOFE-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 43806415 168033560 /nfs/dbraw/zinc/03/35/60/168033560.db2.gz CCKDKLJKPWUJTG-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@H](C)CCCn1cc[nH+]c1C 45603882 168033574 /nfs/dbraw/zinc/03/35/74/168033574.db2.gz CHJGHJPXGQAGCP-VIFPVBQESA-N 2 1 181.283 1.580 10 0 ADAEMP C[NH2+][C@@H](C)[C@H](C)[NH+]1CCCC1 43807221 168033947 /nfs/dbraw/zinc/03/39/47/168033947.db2.gz LLVKZZPOWCKMGC-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C)[C@H](C)n1cc[nH+]c1C 43994109 168034976 /nfs/dbraw/zinc/03/49/76/168034976.db2.gz MVTBKMPCNFQMPM-YUMQZZPRSA-N 2 1 167.256 1.360 10 0 ADAEMP C[NH2+][C@@H](C)[C@H](C)n1c[nH+]c(C)c1C 51926836 168035631 /nfs/dbraw/zinc/03/56/31/168035631.db2.gz FXMWDMXSXQQMGN-CBAPKCEASA-N 2 1 181.283 1.669 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C1CCCCC1 50269902 168037202 /nfs/dbraw/zinc/03/72/02/168037202.db2.gz JHRXAKBWPCMORO-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)C(C)C)C(C)(C)C 43813050 168037341 /nfs/dbraw/zinc/03/73/41/168037341.db2.gz PSXFGPTVKCETLS-JTQLQIEISA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)C(C)C)C(C)(C)C 43813050 168037342 /nfs/dbraw/zinc/03/73/42/168037342.db2.gz PSXFGPTVKCETLS-JTQLQIEISA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+][C@@H]1CCCCCC[C@@H]1[NH+](C)C 43815782 168038188 /nfs/dbraw/zinc/03/81/88/168038188.db2.gz PMJQGXBVIANKAN-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCCCCC[C@H]1[NH+](C)C 43815786 168038811 /nfs/dbraw/zinc/03/88/11/168038811.db2.gz PMJQGXBVIANKAN-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCCCC[C@H]1[NH+](C)C 43815768 168039381 /nfs/dbraw/zinc/03/93/81/168039381.db2.gz SSWYTEVCTJOYOU-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@@H](Cn1cc[nH+]c1C)C(C)(C)C 43994361 168039482 /nfs/dbraw/zinc/03/94/82/168039482.db2.gz XKHFOKRFQRJZAB-JTQLQIEISA-N 2 1 195.310 1.826 10 0 ADAEMP C[NH2+][C@@H]1CCCCC[C@@H]1[NH+](C)C 43815766 168039897 /nfs/dbraw/zinc/03/98/97/168039897.db2.gz SSWYTEVCTJOYOU-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 37241665 168040159 /nfs/dbraw/zinc/04/01/59/168040159.db2.gz SHAULALTEOZQIV-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 37241665 168040160 /nfs/dbraw/zinc/04/01/60/168040160.db2.gz SHAULALTEOZQIV-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](C)C1 49708993 168040164 /nfs/dbraw/zinc/04/01/64/168040164.db2.gz HKLYHRVJLXYQBK-DTWKUNHWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 37240239 168040173 /nfs/dbraw/zinc/04/01/73/168040173.db2.gz VEQXDPGAOLOVBC-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 37240239 168040174 /nfs/dbraw/zinc/04/01/74/168040174.db2.gz VEQXDPGAOLOVBC-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 49709025 168040227 /nfs/dbraw/zinc/04/02/27/168040227.db2.gz AHKWQBOWFXXLCG-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@@H](C)C1 49694198 168040247 /nfs/dbraw/zinc/04/02/47/168040247.db2.gz YFXBKYAMOZCAAD-VHSXEESVSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 37241739 168040283 /nfs/dbraw/zinc/04/02/83/168040283.db2.gz LTCHMKYDMGFEKH-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 37241739 168040285 /nfs/dbraw/zinc/04/02/85/168040285.db2.gz LTCHMKYDMGFEKH-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CCC2)[C@@H](C)C1 52210798 168040326 /nfs/dbraw/zinc/04/03/26/168040326.db2.gz AKXRWLILJXEUKD-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@H]1n1cc[nH+]c1C 43994557 168040437 /nfs/dbraw/zinc/04/04/37/168040437.db2.gz DSOJAFVTXWJWDA-GHMZBOCLSA-N 2 1 193.294 1.895 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)C1CC1 60744089 168040457 /nfs/dbraw/zinc/04/04/57/168040457.db2.gz NYRHVYBRIBDJBF-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1C 43994383 168040499 /nfs/dbraw/zinc/04/04/99/168040499.db2.gz NYPZKQVJJLBYQL-NXEZZACHSA-N 2 1 179.267 1.505 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 169617687 168040531 /nfs/dbraw/zinc/04/05/31/168040531.db2.gz HWLXBPBFWALHTP-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 169617687 168040533 /nfs/dbraw/zinc/04/05/33/168040533.db2.gz HWLXBPBFWALHTP-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 49709027 168040580 /nfs/dbraw/zinc/04/05/80/168040580.db2.gz AHKWQBOWFXXLCG-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1C 43994385 168040617 /nfs/dbraw/zinc/04/06/17/168040617.db2.gz NYPZKQVJJLBYQL-ZJUUUORDSA-N 2 1 179.267 1.505 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CC2)[C@H](C)C1 49694111 168040708 /nfs/dbraw/zinc/04/07/08/168040708.db2.gz ZZBWRLMFVSJOEK-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@H]1C 242543436 168040926 /nfs/dbraw/zinc/04/09/26/168040926.db2.gz JZXRKTDYCWWMAX-GHMZBOCLSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 49710581 168041040 /nfs/dbraw/zinc/04/10/40/168041040.db2.gz MZIGRXPDMYBGRI-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CC2)[C@@H](C)C1 49694112 168041160 /nfs/dbraw/zinc/04/11/60/168041160.db2.gz ZZBWRLMFVSJOEK-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@H]1[NH+]1CC=CC1 34119069 168041171 /nfs/dbraw/zinc/04/11/71/168041171.db2.gz YKIURBUQJBTIJV-GHMZBOCLSA-N 2 1 180.295 1.389 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)C1CC1 53865479 168041199 /nfs/dbraw/zinc/04/11/99/168041199.db2.gz WNXFOVPKAPRXGX-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1n1c[nH+]c(C)c1C 51926339 168041361 /nfs/dbraw/zinc/04/13/61/168041361.db2.gz UMCCDWGCGBMDBB-GHMZBOCLSA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)C12CCCCC2 39473126 168041421 /nfs/dbraw/zinc/04/14/21/168041421.db2.gz HRKBPEHIYKTYEH-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CCC2)[C@H](C)C1 52210795 168041460 /nfs/dbraw/zinc/04/14/60/168041460.db2.gz AKXRWLILJXEUKD-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](CC(C)(C)C)C1 40494673 168041487 /nfs/dbraw/zinc/04/14/87/168041487.db2.gz FCYBXPOJBDVGTK-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)(C)C)C1 40494673 168041489 /nfs/dbraw/zinc/04/14/89/168041489.db2.gz FCYBXPOJBDVGTK-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)CC[N@@H+]2[C@@H]1CC[NH2+]C1 134822187 343949601 /nfs/dbraw/zinc/94/96/01/343949601.db2.gz QDGRMZIXGUXBOC-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CCC(C)CC2)C1 37242071 168041853 /nfs/dbraw/zinc/04/18/53/168041853.db2.gz WCLQVGPMQFYFKA-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CCC(C)CC2)C1 37242071 168041855 /nfs/dbraw/zinc/04/18/55/168041855.db2.gz WCLQVGPMQFYFKA-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)C1CC1 60744095 168041933 /nfs/dbraw/zinc/04/19/33/168041933.db2.gz NYRHVYBRIBDJBF-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C1CC1 43822518 168041990 /nfs/dbraw/zinc/04/19/90/168041990.db2.gz XDTQCKGEOTVLJV-ZJUUUORDSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)C1CC1 43822518 168041993 /nfs/dbraw/zinc/04/19/93/168041993.db2.gz XDTQCKGEOTVLJV-ZJUUUORDSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)[C@H](C)C1 49694134 168042098 /nfs/dbraw/zinc/04/20/98/168042098.db2.gz DVHBDKFSZQAHCJ-NXEZZACHSA-N 2 1 184.327 1.857 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@@H]1n1cc[nH+]c1C 43994559 168042148 /nfs/dbraw/zinc/04/21/48/168042148.db2.gz DSOJAFVTXWJWDA-MNOVXSKESA-N 2 1 193.294 1.895 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 45630724 168042834 /nfs/dbraw/zinc/04/28/34/168042834.db2.gz OKWYBLMZIQRTIJ-NWDGAFQWSA-N 2 1 194.322 1.636 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 45630724 168042836 /nfs/dbraw/zinc/04/28/36/168042836.db2.gz OKWYBLMZIQRTIJ-NWDGAFQWSA-N 2 1 194.322 1.636 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CC[C@H]2CCCC[C@@H]21 134816217 343949656 /nfs/dbraw/zinc/94/96/56/343949656.db2.gz FPRWPBDHOFXTDC-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)[C@@H](C)C1 45135331 168043575 /nfs/dbraw/zinc/04/35/75/168043575.db2.gz ICDSNWLGJXDRHS-HBNTYKKESA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]2C[N@H+](C(C)(C)C)C[C@@H]21 216048492 168043707 /nfs/dbraw/zinc/04/37/07/168043707.db2.gz ZITNEXQPOKJERH-GARJFASQSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H]2C[N@H+](C(C)(C)C)C[C@@H]21 216048391 168043934 /nfs/dbraw/zinc/04/39/34/168043934.db2.gz ZITNEXQPOKJERH-OUAUKWLOSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@@](C)(C[NH3+])CCC(C)C 50269930 168044901 /nfs/dbraw/zinc/04/49/01/168044901.db2.gz WSXKHINMXMNZEH-SECBINFHSA-N 2 1 158.289 1.359 10 0 ADAEMP C[NH2+][C@@](C)(C[NH3+])CCc1ccccc1 50269927 168045299 /nfs/dbraw/zinc/04/52/99/168045299.db2.gz ZLNYXPICPDMDIX-GFCCVEGCSA-N 2 1 192.306 1.556 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC[C@H]1C 50269752 168046594 /nfs/dbraw/zinc/04/65/94/168046594.db2.gz MCBYGTNWLFDXGN-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@@H](C)C1 50269740 168046723 /nfs/dbraw/zinc/04/67/23/168046723.db2.gz KPLLEQTYMOMJQU-BDAKNGLRSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C 50269753 168047126 /nfs/dbraw/zinc/04/71/26/168047126.db2.gz MCBYGTNWLFDXGN-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@H](C)C1 50269741 168047520 /nfs/dbraw/zinc/04/75/20/168047520.db2.gz KPLLEQTYMOMJQU-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCc2ccccc2C1 50269999 168047665 /nfs/dbraw/zinc/04/76/65/168047665.db2.gz UMOROCTVSIHWCO-LBPRGKRZSA-N 2 1 190.290 1.092 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 50269745 168047693 /nfs/dbraw/zinc/04/76/93/168047693.db2.gz YZADQCGSYHTZBH-KOLCDFICSA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])C[C@@H](C)CC(C)(C)C1 50269746 168047761 /nfs/dbraw/zinc/04/77/61/168047761.db2.gz YZADQCGSYHTZBH-ONGXEEELSA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+][C@H](C)CCC[N@@H+](C)C(C)C 45598766 168048262 /nfs/dbraw/zinc/04/82/62/168048262.db2.gz ZXEWCHIATKTYKF-SNVBAGLBSA-N 2 1 172.316 1.715 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)CC(C)(C)C 45072934 168048375 /nfs/dbraw/zinc/04/83/75/168048375.db2.gz GJXNYQXFDFCOFE-SNVBAGLBSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)CC(C)C 43886687 168048493 /nfs/dbraw/zinc/04/84/93/168048493.db2.gz OCYSPAXCIRNLFE-SNVBAGLBSA-N 2 1 172.316 1.572 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)CCC(C)C 43914683 168048513 /nfs/dbraw/zinc/04/85/13/168048513.db2.gz ILECYMSPMISQHD-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@@H]1C 43902814 168048537 /nfs/dbraw/zinc/04/85/37/168048537.db2.gz DDLTVFIWTSBLRB-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@H](C)CCCn1c[nH+]c(C)c1C 51926292 168048613 /nfs/dbraw/zinc/04/86/13/168048613.db2.gz WJAYIWUXUNYCJO-SECBINFHSA-N 2 1 195.310 1.888 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1C[C@@H](C)C[C@@H](C)C1 43804809 168048912 /nfs/dbraw/zinc/04/89/12/168048912.db2.gz MOWNECWZGCVPEB-GRYCIOLGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)C1CC1 43822905 168048924 /nfs/dbraw/zinc/04/89/24/168048924.db2.gz ARRJRUFRYAFNOA-MRVPVSSYSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)C(C)C 43813253 168049033 /nfs/dbraw/zinc/04/90/33/168049033.db2.gz NCGFGCYPNJDFCL-SECBINFHSA-N 2 1 158.289 1.325 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)C1CCCC1 43883804 168049215 /nfs/dbraw/zinc/04/92/15/168049215.db2.gz IBIXJPRXZYUDDW-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)[C@@H](C)C(C)C 43895442 168049261 /nfs/dbraw/zinc/04/92/61/168049261.db2.gz FJTRWUWLEIVONE-MNOVXSKESA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+][C@H](C)CCCn1cc[nH+]c1C 45603880 168049306 /nfs/dbraw/zinc/04/93/06/168049306.db2.gz CHJGHJPXGQAGCP-SECBINFHSA-N 2 1 181.283 1.580 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCC[C@@H](C)C1 43811777 168049464 /nfs/dbraw/zinc/04/94/64/168049464.db2.gz CXKFEACAFYHLJL-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@H](C)CCCCn1cc[nH+]c1C 45603896 168049520 /nfs/dbraw/zinc/04/95/20/168049520.db2.gz GXHIRBXTWBQVKI-SNVBAGLBSA-N 2 1 195.310 1.970 10 0 ADAEMP C[NH2+][C@H](C)CC[N@@H+](C)[C@@H](C)C1CC1 43894824 168049653 /nfs/dbraw/zinc/04/96/53/168049653.db2.gz XMBCKWCQOVZGAG-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H](C)[C@@H](C)n1c[nH+]c(C)c1C 51926835 168049799 /nfs/dbraw/zinc/04/97/99/168049799.db2.gz FXMWDMXSXQQMGN-VXNVDRBHSA-N 2 1 181.283 1.669 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C1(C)CCCCC1 54077192 168050026 /nfs/dbraw/zinc/05/00/26/168050026.db2.gz VSUSNULKCFYECR-SNVBAGLBSA-N 2 1 184.327 1.907 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C1CC1 43894853 168050081 /nfs/dbraw/zinc/05/00/81/168050081.db2.gz DESDQJAXIVOZJI-UTLUCORTSA-N 2 1 184.327 1.713 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C1CC1 43894853 168050083 /nfs/dbraw/zinc/05/00/83/168050083.db2.gz DESDQJAXIVOZJI-UTLUCORTSA-N 2 1 184.327 1.713 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)[NH+]1CCCC1 43807223 168050172 /nfs/dbraw/zinc/05/01/72/168050172.db2.gz LLVKZZPOWCKMGC-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+](C)C1CCCC1 43883855 168050373 /nfs/dbraw/zinc/05/03/73/168050373.db2.gz MZYPMJVOMDQQDL-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@@H+](C)C1CCCC1 43883855 168050374 /nfs/dbraw/zinc/05/03/74/168050374.db2.gz MZYPMJVOMDQQDL-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C(C)C 43895474 168050395 /nfs/dbraw/zinc/05/03/95/168050395.db2.gz NHMYTADDDOQTIO-VWYCJHECSA-N 2 1 186.343 1.959 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C(C)C 43895474 168050396 /nfs/dbraw/zinc/05/03/96/168050396.db2.gz NHMYTADDDOQTIO-VWYCJHECSA-N 2 1 186.343 1.959 10 0 ADAEMP C[NH2+][C@H](C)Cn1c[nH+]c(C)c1C 51926381 168050444 /nfs/dbraw/zinc/05/04/44/168050444.db2.gz GVGNSWOJQXLLOG-SSDOTTSWSA-N 2 1 167.256 1.108 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C1CCCCCC1 54077088 168050503 /nfs/dbraw/zinc/05/05/03/168050503.db2.gz FWWMQVXCLUTXDH-SNVBAGLBSA-N 2 1 184.327 1.907 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C1CCCC1 53493295 168050511 /nfs/dbraw/zinc/05/05/11/168050511.db2.gz WQVJDHBBUAIRCW-MRVPVSSYSA-N 2 1 156.273 1.127 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)n1c[nH+]c(C)c1C 51926834 168050532 /nfs/dbraw/zinc/05/05/32/168050532.db2.gz FXMWDMXSXQQMGN-APPZFPTMSA-N 2 1 181.283 1.669 10 0 ADAEMP C[NH2+][C@H](C)[C@H](C)n1cc[nH+]c1C 43994105 168050564 /nfs/dbraw/zinc/05/05/64/168050564.db2.gz MVTBKMPCNFQMPM-SFYZADRCSA-N 2 1 167.256 1.360 10 0 ADAEMP C[NH2+][C@H](C)CCn1cc[nH+]c1C 43994059 168050616 /nfs/dbraw/zinc/05/06/16/168050616.db2.gz LAELDUCGJBLXJM-MRVPVSSYSA-N 2 1 167.256 1.190 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C1CCCCC1 53493308 168050637 /nfs/dbraw/zinc/05/06/37/168050637.db2.gz LWXHUXDVCNWZOS-SECBINFHSA-N 2 1 170.300 1.517 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1CCC[C@@H]1C 44472146 168050722 /nfs/dbraw/zinc/05/07/22/168050722.db2.gz XRTAFEYOOSHLEG-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1CCC[C@@H]1C 44472146 168050723 /nfs/dbraw/zinc/05/07/23/168050723.db2.gz XRTAFEYOOSHLEG-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)[C@@H](C)[NH+]1CCCC1 43807220 168050764 /nfs/dbraw/zinc/05/07/64/168050764.db2.gz LLVKZZPOWCKMGC-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)[C@@H](C)n1cc[nH+]c1C 43994107 168050782 /nfs/dbraw/zinc/05/07/82/168050782.db2.gz MVTBKMPCNFQMPM-HTQZYQBOSA-N 2 1 167.256 1.360 10 0 ADAEMP C[NH2+][C@H](C)CCn1c[nH+]c(C)c1C 51926814 168050842 /nfs/dbraw/zinc/05/08/42/168050842.db2.gz IUOMWYHRGZRRBT-MRVPVSSYSA-N 2 1 181.283 1.498 10 0 ADAEMP C[NH2+][C@H](C)C[N@@H+]1CCC[C@H]1C 44472143 168051041 /nfs/dbraw/zinc/05/10/41/168051041.db2.gz XRTAFEYOOSHLEG-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)C[N@H+]1CCC[C@H]1C 44472143 168051042 /nfs/dbraw/zinc/05/10/42/168051042.db2.gz XRTAFEYOOSHLEG-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 43806413 168051057 /nfs/dbraw/zinc/05/10/57/168051057.db2.gz CCKDKLJKPWUJTG-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@@H+]1C[C@@H](C)C[C@@H](C)C1 43804848 168051165 /nfs/dbraw/zinc/05/11/65/168051165.db2.gz VKADBSIRTBLRKV-KXNHARMFSA-N 2 1 198.354 1.961 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+]1C[C@@H](C)C[C@@H](C)C1 43804848 168051167 /nfs/dbraw/zinc/05/11/67/168051167.db2.gz VKADBSIRTBLRKV-KXNHARMFSA-N 2 1 198.354 1.961 10 0 ADAEMP C[NH2+][C@H](C[N@H+](C)C(C)C)C(C)(C)C 43813052 168054264 /nfs/dbraw/zinc/05/42/64/168054264.db2.gz PSXFGPTVKCETLS-SNVBAGLBSA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+][C@H](C[N@@H+](C)C(C)C)C(C)(C)C 43813052 168054265 /nfs/dbraw/zinc/05/42/65/168054265.db2.gz PSXFGPTVKCETLS-SNVBAGLBSA-N 2 1 186.343 1.961 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C1CCCCC1 50269903 168054382 /nfs/dbraw/zinc/05/43/82/168054382.db2.gz JHRXAKBWPCMORO-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@H]1CCCCC[C@@H]1[NH+](C)C 43815767 168054775 /nfs/dbraw/zinc/05/47/75/168054775.db2.gz SSWYTEVCTJOYOU-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@@H]1[NH+]1CC=CC1 34119068 168055141 /nfs/dbraw/zinc/05/51/41/168055141.db2.gz YKIURBUQJBTIJV-QWRGUYRKSA-N 2 1 180.295 1.389 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)C1CC1 60744091 168055168 /nfs/dbraw/zinc/05/51/68/168055168.db2.gz NYRHVYBRIBDJBF-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H](Cn1cc[nH+]c1C)C(C)(C)C 43994362 168055335 /nfs/dbraw/zinc/05/53/35/168055335.db2.gz XKHFOKRFQRJZAB-SNVBAGLBSA-N 2 1 195.310 1.826 10 0 ADAEMP C[NH2+][C@H]1CCCCCC[C@H]1[NH+](C)C 43815788 168055907 /nfs/dbraw/zinc/05/59/07/168055907.db2.gz PMJQGXBVIANKAN-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CCCCCC[C@@H]1[NH+](C)C 43815784 168056057 /nfs/dbraw/zinc/05/60/57/168056057.db2.gz PMJQGXBVIANKAN-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CCCCC[C@H]1[NH+](C)C 43815769 168056147 /nfs/dbraw/zinc/05/61/47/168056147.db2.gz SSWYTEVCTJOYOU-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CCC2)[C@@H](C)C1 52210802 168056488 /nfs/dbraw/zinc/05/64/88/168056488.db2.gz AKXRWLILJXEUKD-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C 49694185 168056511 /nfs/dbraw/zinc/05/65/11/168056511.db2.gz OJSLQPHTVXWJSQ-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CC2)C[C@H]1C 49694099 168056522 /nfs/dbraw/zinc/05/65/22/168056522.db2.gz ZNFKBWMUNPRYOY-KOLCDFICSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 169617688 168056536 /nfs/dbraw/zinc/05/65/36/168056536.db2.gz HWLXBPBFWALHTP-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 169617688 168056538 /nfs/dbraw/zinc/05/65/38/168056538.db2.gz HWLXBPBFWALHTP-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C[C@H]1C 49713167 168056551 /nfs/dbraw/zinc/05/65/51/168056551.db2.gz BNCHTGOHWPNMDO-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C 49710557 168056567 /nfs/dbraw/zinc/05/65/67/168056567.db2.gz UOPYDJYSQJFTQP-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCCC2)C[C@@H]1C 49709042 168056607 /nfs/dbraw/zinc/05/66/07/168056607.db2.gz GSDTVSSCUCXNJO-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C(C)C)[C@@H](C)C1 49694200 168056617 /nfs/dbraw/zinc/05/66/17/168056617.db2.gz YFXBKYAMOZCAAD-UWVGGRQHSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1n1c[nH+]c(C)c1C 51926337 168056645 /nfs/dbraw/zinc/05/66/45/168056645.db2.gz UMCCDWGCGBMDBB-WDEREUQCSA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CCC(C)C)C[C@@H]1C 49707372 168056711 /nfs/dbraw/zinc/05/67/11/168056711.db2.gz LNUDAJQUXAYHLM-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CCC(C)CC2)C1 37242069 168056759 /nfs/dbraw/zinc/05/67/59/168056759.db2.gz WCLQVGPMQFYFKA-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCC(C)CC2)C1 37242069 168056760 /nfs/dbraw/zinc/05/67/60/168056760.db2.gz WCLQVGPMQFYFKA-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C[C@H]1C 49694121 168056778 /nfs/dbraw/zinc/05/67/78/168056778.db2.gz BTEMHVQTZPXBGD-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@H](C)C1 49709029 168056805 /nfs/dbraw/zinc/05/68/05/168056805.db2.gz AHKWQBOWFXXLCG-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 49709030 168056852 /nfs/dbraw/zinc/05/68/52/168056852.db2.gz AHKWQBOWFXXLCG-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@H]1[NH+]1CC=CC1 34119070 168056864 /nfs/dbraw/zinc/05/68/64/168056864.db2.gz YKIURBUQJBTIJV-WDEREUQCSA-N 2 1 180.295 1.389 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)C1CC1 53865483 168056881 /nfs/dbraw/zinc/05/68/81/168056881.db2.gz WNXFOVPKAPRXGX-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694199 168056947 /nfs/dbraw/zinc/05/69/47/168056947.db2.gz YFXBKYAMOZCAAD-ZJUUUORDSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)[C@H](C)C1 49694136 168056956 /nfs/dbraw/zinc/05/69/56/168056956.db2.gz DVHBDKFSZQAHCJ-ZJUUUORDSA-N 2 1 184.327 1.857 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C)C12CCCCC2 39473127 168057035 /nfs/dbraw/zinc/05/70/35/168057035.db2.gz HRKBPEHIYKTYEH-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CCC2)C[C@H]1C 49710556 168057087 /nfs/dbraw/zinc/05/70/87/168057087.db2.gz UOPYDJYSQJFTQP-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)[C@@H](C)C1 49694137 168057100 /nfs/dbraw/zinc/05/71/00/168057100.db2.gz DVHBDKFSZQAHCJ-UWVGGRQHSA-N 2 1 184.327 1.857 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCC2)C[C@@H]1C 52210765 168057181 /nfs/dbraw/zinc/05/71/81/168057181.db2.gz GWZIFFNRFXBTSB-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 49710586 168057210 /nfs/dbraw/zinc/05/72/10/168057210.db2.gz MZIGRXPDMYBGRI-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C1CC1 43822521 168057250 /nfs/dbraw/zinc/05/72/50/168057250.db2.gz XDTQCKGEOTVLJV-UWVGGRQHSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)C1CC1 43822521 168057251 /nfs/dbraw/zinc/05/72/51/168057251.db2.gz XDTQCKGEOTVLJV-UWVGGRQHSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 40494672 168057261 /nfs/dbraw/zinc/05/72/61/168057261.db2.gz FCYBXPOJBDVGTK-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 40494672 168057263 /nfs/dbraw/zinc/05/72/63/168057263.db2.gz FCYBXPOJBDVGTK-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](C)C1 49708997 168057277 /nfs/dbraw/zinc/05/72/77/168057277.db2.gz HKLYHRVJLXYQBK-IUCAKERBSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCC2)C[C@H]1C 52210762 168057291 /nfs/dbraw/zinc/05/72/91/168057291.db2.gz GWZIFFNRFXBTSB-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1[N@H+](C)C1CC1 43822527 168057324 /nfs/dbraw/zinc/05/73/24/168057324.db2.gz XDTQCKGEOTVLJV-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C1CC1 43822527 168057325 /nfs/dbraw/zinc/05/73/25/168057325.db2.gz XDTQCKGEOTVLJV-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CC2)C[C@@H]1C 49708972 168057485 /nfs/dbraw/zinc/05/74/85/168057485.db2.gz HJCQOQHMGIINHQ-WPRPVWTQSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 37241667 168057535 /nfs/dbraw/zinc/05/75/35/168057535.db2.gz SHAULALTEOZQIV-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 37241667 168057536 /nfs/dbraw/zinc/05/75/36/168057536.db2.gz SHAULALTEOZQIV-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 37241741 168057551 /nfs/dbraw/zinc/05/75/51/168057551.db2.gz LTCHMKYDMGFEKH-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 37241741 168057552 /nfs/dbraw/zinc/05/75/52/168057552.db2.gz LTCHMKYDMGFEKH-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)C1CC1 60744096 168057560 /nfs/dbraw/zinc/05/75/60/168057560.db2.gz NYRHVYBRIBDJBF-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CC2)C[C@@H]1C 49694100 168057574 /nfs/dbraw/zinc/05/75/74/168057574.db2.gz ZNFKBWMUNPRYOY-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 49710589 168057596 /nfs/dbraw/zinc/05/75/96/168057596.db2.gz MZIGRXPDMYBGRI-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C[C@@H]1C 49694123 168057628 /nfs/dbraw/zinc/05/76/28/168057628.db2.gz BTEMHVQTZPXBGD-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](C)C1 49708996 168057810 /nfs/dbraw/zinc/05/78/10/168057810.db2.gz HKLYHRVJLXYQBK-BDAKNGLRSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1C 43994382 168057819 /nfs/dbraw/zinc/05/78/19/168057819.db2.gz NYPZKQVJJLBYQL-UWVGGRQHSA-N 2 1 179.267 1.505 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)C(C)C 53862400 168057889 /nfs/dbraw/zinc/05/78/89/168057889.db2.gz NJGHFXMYNFLNEC-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CCC2)[C@H](C)C1 52210800 168057914 /nfs/dbraw/zinc/05/79/14/168057914.db2.gz AKXRWLILJXEUKD-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1C 43994380 168057964 /nfs/dbraw/zinc/05/79/64/168057964.db2.gz NYPZKQVJJLBYQL-VHSXEESVSA-N 2 1 179.267 1.505 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CCCC2)C[C@H]1C 49709041 168057969 /nfs/dbraw/zinc/05/79/69/168057969.db2.gz GSDTVSSCUCXNJO-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@@H]1n1cc[nH+]c1C 43994555 168057998 /nfs/dbraw/zinc/05/79/98/168057998.db2.gz DSOJAFVTXWJWDA-QWRGUYRKSA-N 2 1 193.294 1.895 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C[C@@H]1C 49713168 168058033 /nfs/dbraw/zinc/05/80/33/168058033.db2.gz BNCHTGOHWPNMDO-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@H]1C 49709006 168058052 /nfs/dbraw/zinc/05/80/52/168058052.db2.gz JZXRKTDYCWWMAX-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)C(C)C 53862401 168058064 /nfs/dbraw/zinc/05/80/64/168058064.db2.gz NJGHFXMYNFLNEC-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CC2)C[C@H]1C 49708971 168058087 /nfs/dbraw/zinc/05/80/87/168058087.db2.gz HJCQOQHMGIINHQ-SCZZXKLOSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CC2)[C@@H](C)C1 49694114 168058161 /nfs/dbraw/zinc/05/81/61/168058161.db2.gz ZZBWRLMFVSJOEK-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)C)C[C@@H]1C 49694186 168058174 /nfs/dbraw/zinc/05/81/74/168058174.db2.gz OJSLQPHTVXWJSQ-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CC2)[C@H](C)C1 49694113 168058219 /nfs/dbraw/zinc/05/82/19/168058219.db2.gz ZZBWRLMFVSJOEK-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CCCC[C@H]1n1cc[nH+]c1C 43994553 168058244 /nfs/dbraw/zinc/05/82/44/168058244.db2.gz DSOJAFVTXWJWDA-WDEREUQCSA-N 2 1 193.294 1.895 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 37240236 168058258 /nfs/dbraw/zinc/05/82/58/168058258.db2.gz VEQXDPGAOLOVBC-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 37240236 168058260 /nfs/dbraw/zinc/05/82/60/168058260.db2.gz VEQXDPGAOLOVBC-QMMMGPOBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)C1CC1 53865480 168058300 /nfs/dbraw/zinc/05/83/00/168058300.db2.gz WNXFOVPKAPRXGX-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H]1n1c[nH+]c(C)c1C 51926338 168058348 /nfs/dbraw/zinc/05/83/48/168058348.db2.gz UMCCDWGCGBMDBB-QWRGUYRKSA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC(C)C)C[C@@H]1C 49709008 168058444 /nfs/dbraw/zinc/05/84/44/168058444.db2.gz JZXRKTDYCWWMAX-QWRGUYRKSA-N 2 1 184.327 1.572 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1[N@H+]1CCC[C@@H]1C 43902444 168058447 /nfs/dbraw/zinc/05/84/47/168058447.db2.gz VFDQXQRDMSSMGI-GARJFASQSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CC2(C)C)[C@@H](C)C1 45135333 168058741 /nfs/dbraw/zinc/05/87/41/168058741.db2.gz ICDSNWLGJXDRHS-GARJFASQSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@H](C)C2CC2)C1 35733651 168058749 /nfs/dbraw/zinc/05/87/49/168058749.db2.gz ZDIQGLFXAQNRKW-SCZZXKLOSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@H](C)C2CC2)C1 35733651 168058750 /nfs/dbraw/zinc/05/87/50/168058750.db2.gz ZDIQGLFXAQNRKW-SCZZXKLOSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@H](C)CC(C)C)C1 37264976 168058805 /nfs/dbraw/zinc/05/88/05/168058805.db2.gz IMHKSAYNQNFTKO-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@H](C)CC(C)C)C1 37264976 168058806 /nfs/dbraw/zinc/05/88/06/168058806.db2.gz IMHKSAYNQNFTKO-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)[C@@H](C)C1 52289057 168059079 /nfs/dbraw/zinc/05/90/79/168059079.db2.gz VHRLJPKZUFSYCM-XWLWVQCSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H]2CC2(C)C)C[C@@H]1C 45135319 168059136 /nfs/dbraw/zinc/05/91/36/168059136.db2.gz VZGQUHRRGKYHLJ-GARJFASQSA-N 2 1 196.338 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CC2)C1 35733650 168059305 /nfs/dbraw/zinc/05/93/05/168059305.db2.gz ZDIQGLFXAQNRKW-WPRPVWTQSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CC2)C1 35733650 168059308 /nfs/dbraw/zinc/05/93/08/168059308.db2.gz ZDIQGLFXAQNRKW-WPRPVWTQSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 45630725 168059336 /nfs/dbraw/zinc/05/93/36/168059336.db2.gz OKWYBLMZIQRTIJ-RYUDHWBXSA-N 2 1 194.322 1.636 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 45630725 168059339 /nfs/dbraw/zinc/05/93/39/168059339.db2.gz OKWYBLMZIQRTIJ-RYUDHWBXSA-N 2 1 194.322 1.636 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 37242342 168059357 /nfs/dbraw/zinc/05/93/57/168059357.db2.gz PAILYCLLTICZQH-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)C(C)C)C1 37242342 168059360 /nfs/dbraw/zinc/05/93/60/168059360.db2.gz PAILYCLLTICZQH-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)C(C)C)C[C@@H]1C 49710295 168059439 /nfs/dbraw/zinc/05/94/39/168059439.db2.gz TWBJISYWKAXJSW-SRVKXCTJSA-N 2 1 198.354 1.961 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@H](C)C(C)C)C1 37242340 168059541 /nfs/dbraw/zinc/05/95/41/168059541.db2.gz PAILYCLLTICZQH-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@H](C)C(C)C)C1 37242340 168059542 /nfs/dbraw/zinc/05/95/42/168059542.db2.gz PAILYCLLTICZQH-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@H]1C[C@@H]2CCC[C@H](C1)[N@H+]2C 245228313 168059917 /nfs/dbraw/zinc/05/99/17/168059917.db2.gz PHJLVSUDZVBSFQ-OWUUHHOZSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CC2)[C@@H](C)C1 49711048 168060042 /nfs/dbraw/zinc/06/00/42/168060042.db2.gz KINLQKGXGZFMSL-NHCYSSNCSA-N 2 1 196.338 1.857 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC(C)C)C1 37264977 168060195 /nfs/dbraw/zinc/06/01/95/168060195.db2.gz IMHKSAYNQNFTKO-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]([C@@H](C)CC(C)C)C1 37264977 168060198 /nfs/dbraw/zinc/06/01/98/168060198.db2.gz IMHKSAYNQNFTKO-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@](C)(C[NH3+])CCC(C)C 50269929 168061139 /nfs/dbraw/zinc/06/11/39/168061139.db2.gz WSXKHINMXMNZEH-VIFPVBQESA-N 2 1 158.289 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C 50269751 168061167 /nfs/dbraw/zinc/06/11/67/168061167.db2.gz MCBYGTNWLFDXGN-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@](C)(C[NH3+])CCc1ccccc1 50269928 168061940 /nfs/dbraw/zinc/06/19/40/168061940.db2.gz ZLNYXPICPDMDIX-LBPRGKRZSA-N 2 1 192.306 1.556 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC[C@H]1C 50269750 168062048 /nfs/dbraw/zinc/06/20/48/168062048.db2.gz MCBYGTNWLFDXGN-BDAKNGLRSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@H](C)C1 50269739 168063039 /nfs/dbraw/zinc/06/30/39/168063039.db2.gz KPLLEQTYMOMJQU-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@@H](C)C1 50269738 168063314 /nfs/dbraw/zinc/06/33/14/168063314.db2.gz KPLLEQTYMOMJQU-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCc2ccccc2C1 50269998 168063571 /nfs/dbraw/zinc/06/35/71/168063571.db2.gz UMOROCTVSIHWCO-GFCCVEGCSA-N 2 1 190.290 1.092 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@@H](C)CC(C)(C)C1 50269748 168063600 /nfs/dbraw/zinc/06/36/00/168063600.db2.gz YZADQCGSYHTZBH-GXSJLCMTSA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@H](C)CC(C)(C)C1 50269747 168063626 /nfs/dbraw/zinc/06/36/26/168063626.db2.gz YZADQCGSYHTZBH-MWLCHTKSSA-N 2 1 184.327 1.750 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@@H]1[NH+]1CC=CC1 34119067 168041557 /nfs/dbraw/zinc/04/15/57/168041557.db2.gz YKIURBUQJBTIJV-MNOVXSKESA-N 2 1 180.295 1.389 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)C1CC1 53865481 168041632 /nfs/dbraw/zinc/04/16/32/168041632.db2.gz WNXFOVPKAPRXGX-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](C)C1 49708992 168041637 /nfs/dbraw/zinc/04/16/37/168041637.db2.gz HKLYHRVJLXYQBK-RKDXNWHRSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 49710583 168041672 /nfs/dbraw/zinc/04/16/72/168041672.db2.gz MZIGRXPDMYBGRI-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)[C@@H](C)C1 49694135 168041714 /nfs/dbraw/zinc/04/17/14/168041714.db2.gz DVHBDKFSZQAHCJ-VHSXEESVSA-N 2 1 184.327 1.857 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@H](C)C1 49694197 168041761 /nfs/dbraw/zinc/04/17/61/168041761.db2.gz YFXBKYAMOZCAAD-NXEZZACHSA-N 2 1 170.300 1.467 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1n1c[nH+]c(C)c1C 51926340 168041769 /nfs/dbraw/zinc/04/17/69/168041769.db2.gz UMCCDWGCGBMDBB-MNOVXSKESA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@H+](C)C1CC1 43822524 168041789 /nfs/dbraw/zinc/04/17/89/168041789.db2.gz XDTQCKGEOTVLJV-NXEZZACHSA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)C1CC1 43822524 168041791 /nfs/dbraw/zinc/04/17/91/168041791.db2.gz XDTQCKGEOTVLJV-NXEZZACHSA-N 2 1 168.284 1.221 10 0 ADAEMP COC[C@@H](C)[N@@H+](C)CCCCC[NH3+] 49580808 168181844 /nfs/dbraw/zinc/18/18/44/168181844.db2.gz KPPVHXHQQVGRPY-SNVBAGLBSA-N 2 1 188.315 1.082 10 0 ADAEMP COC[C@H](C)[N@@H+](C)CCCCC[NH3+] 49580807 168187308 /nfs/dbraw/zinc/18/73/08/168187308.db2.gz KPPVHXHQQVGRPY-JTQLQIEISA-N 2 1 188.315 1.082 10 0 ADAEMP CO[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]cn1 54765307 168217524 /nfs/dbraw/zinc/21/75/24/168217524.db2.gz OLOZHKDUVUABBZ-ZJUUUORDSA-N 2 1 195.266 1.067 10 0 ADAEMP COc1cccc2c1C[N@H+](C)C[C@H]2N 82388666 168274316 /nfs/dbraw/zinc/27/43/16/168274316.db2.gz XENOQXKXJIWXNH-SNVBAGLBSA-N 2 1 192.262 1.140 10 0 ADAEMP COc1cccc2c1C[N@@H+](C)C[C@H]2N 82388666 168274319 /nfs/dbraw/zinc/27/43/19/168274319.db2.gz XENOQXKXJIWXNH-SNVBAGLBSA-N 2 1 192.262 1.140 10 0 ADAEMP COc1cccc2c1C[N@H+](C)C[C@@H]2N 82388667 168274668 /nfs/dbraw/zinc/27/46/68/168274668.db2.gz XENOQXKXJIWXNH-JTQLQIEISA-N 2 1 192.262 1.140 10 0 ADAEMP COc1cccc2c1C[N@@H+](C)C[C@@H]2N 82388667 168274669 /nfs/dbraw/zinc/27/46/69/168274669.db2.gz XENOQXKXJIWXNH-JTQLQIEISA-N 2 1 192.262 1.140 10 0 ADAEMP CSCCC[N@@H+]1CCC[C@H]([NH3+])C1 41027986 168299801 /nfs/dbraw/zinc/29/98/01/168299801.db2.gz LULOJAOGPGBLNF-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CSCCC[N@H+]1CCC[C@H]([NH3+])C1 41027986 168299804 /nfs/dbraw/zinc/29/98/04/168299804.db2.gz LULOJAOGPGBLNF-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CSCCC[N@@H+]1CCC[NH2+]CC1 38087068 168300229 /nfs/dbraw/zinc/30/02/29/168300229.db2.gz YLPDWSMPPQFQHU-UHFFFAOYSA-N 2 1 188.340 1.035 10 0 ADAEMP CSCC[C@@H](C[NH3+])[NH+]1CCCC1 37395708 168300491 /nfs/dbraw/zinc/30/04/91/168300491.db2.gz SKJRGUXNVDKRMB-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CSCC[C@@H](C[NH3+])[N@H+](C)C(C)C 37395733 168301492 /nfs/dbraw/zinc/30/14/92/168301492.db2.gz WAQCFSKKSWUKFH-VIFPVBQESA-N 2 1 190.356 1.407 10 0 ADAEMP CSCC[C@@H](C[NH3+])[N@@H+](C)C(C)C 37395733 168301493 /nfs/dbraw/zinc/30/14/93/168301493.db2.gz WAQCFSKKSWUKFH-VIFPVBQESA-N 2 1 190.356 1.407 10 0 ADAEMP CSCCC[N@@H+]1CCC[C@@H]([NH3+])C1 41027987 168301526 /nfs/dbraw/zinc/30/15/26/168301526.db2.gz LULOJAOGPGBLNF-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CSCCC[N@H+]1CCC[C@@H]([NH3+])C1 41027987 168301529 /nfs/dbraw/zinc/30/15/29/168301529.db2.gz LULOJAOGPGBLNF-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CSCC[C@H](C[NH3+])[NH+]1CCCC1 37395709 168302171 /nfs/dbraw/zinc/30/21/71/168302171.db2.gz SKJRGUXNVDKRMB-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CSCC[C@H](C[NH3+])[N@H+](C)C(C)C 37395734 168303435 /nfs/dbraw/zinc/30/34/35/168303435.db2.gz WAQCFSKKSWUKFH-SECBINFHSA-N 2 1 190.356 1.407 10 0 ADAEMP CSCC[C@H](C[NH3+])[N@@H+](C)C(C)C 37395734 168303438 /nfs/dbraw/zinc/30/34/38/168303438.db2.gz WAQCFSKKSWUKFH-SECBINFHSA-N 2 1 190.356 1.407 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@H](C[NH3+])C1 35733664 168330797 /nfs/dbraw/zinc/33/07/97/168330797.db2.gz WJKHUNRPBCNFTE-DTWKUNHWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCCCC(N)=[NH2+] 49579727 168330928 /nfs/dbraw/zinc/33/09/28/168330928.db2.gz UZHKIGSNJKUWCC-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C1CC[NH2+]CC1 43501178 168331373 /nfs/dbraw/zinc/33/13/73/168331373.db2.gz GBBPELUFSVFLAN-VIFPVBQESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CCCCC[NH3+] 49580690 168331505 /nfs/dbraw/zinc/33/15/05/168331505.db2.gz FSVSGEXHCWNYSV-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CCC[NH2+][C@H](C)CC1 49666152 168331595 /nfs/dbraw/zinc/33/15/95/168331595.db2.gz ZFNDOWYWIFKARX-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CCC[NH2+]C[C@@H](C)C1 49666170 168331627 /nfs/dbraw/zinc/33/16/27/168331627.db2.gz ZUAWXJSJEXMIKR-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 44527633 168331730 /nfs/dbraw/zinc/33/17/30/168331730.db2.gz UFCNPZPYECNAHA-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC(C)(C)C[NH3+] 51217520 168331901 /nfs/dbraw/zinc/33/19/01/168331901.db2.gz KXAHNQOKBQLRGD-VIFPVBQESA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C1CCCC1)[N@H+]1CC[C@H](C[NH3+])C1 54082036 168331984 /nfs/dbraw/zinc/33/19/84/168331984.db2.gz XYULSIRPMVZEGW-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C1CCC([NH3+])CC1 55144372 168332087 /nfs/dbraw/zinc/33/20/87/168332087.db2.gz RQULATPPSFKUMY-GCVQQVDUSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H](C1CCCCC1)[N@@H+]1CC[C@H]([NH3+])C1 50228016 168332166 /nfs/dbraw/zinc/33/21/66/168332166.db2.gz BBPUKVNOQQXREI-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H](C1CCCCC1)[N@H+]1CC[C@H]([NH3+])C1 50228016 168332167 /nfs/dbraw/zinc/33/21/67/168332167.db2.gz BBPUKVNOQQXREI-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889501 168332226 /nfs/dbraw/zinc/33/22/26/168332226.db2.gz TYOMJONIJLHFGF-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749070 168332479 /nfs/dbraw/zinc/33/24/79/168332479.db2.gz PTCGYHQIMQCUOG-OTQBISOXSA-N 2 1 194.322 1.739 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)CC[C@@H]1CCC[NH2+]1 42172087 168332553 /nfs/dbraw/zinc/33/25/53/168332553.db2.gz JBIZGKWVSCJLQY-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CC[C@@H](C)C1 40718417 168333579 /nfs/dbraw/zinc/33/35/79/168333579.db2.gz QSFLGEDTKSRJRX-SFYZADRCSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCC[C@@H](C)C1 48249674 168333613 /nfs/dbraw/zinc/33/36/13/168333613.db2.gz CTUXJHLVWJKNOL-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@@H+](C)CC(C)(C)C 45074252 168334328 /nfs/dbraw/zinc/33/43/28/168334328.db2.gz UKIZQJIAFDPHLO-QMMMGPOBSA-N 2 1 185.315 1.679 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCCC[C@H]1C 36092210 168336606 /nfs/dbraw/zinc/33/66/06/168336606.db2.gz ZGOHJPWYHMZLNS-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+](C)Cc1ccoc1 42447883 168336748 /nfs/dbraw/zinc/33/67/48/168336748.db2.gz IPZOVWQLLLTOMW-VIFPVBQESA-N 2 1 182.267 1.449 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)Cc1ccoc1 42447883 168336750 /nfs/dbraw/zinc/33/67/50/168336750.db2.gz IPZOVWQLLLTOMW-VIFPVBQESA-N 2 1 182.267 1.449 10 0 ADAEMP C[C@@H](CC[NH3+])[N@@H+](C)C1CCCCC1 41042498 168336921 /nfs/dbraw/zinc/33/69/21/168336921.db2.gz BLUFPJDRLVIYLM-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc[nH]1 51789604 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C[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCSC1 37476754 168362738 /nfs/dbraw/zinc/36/27/38/168362738.db2.gz FMWRVFXMYMMSQT-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)C1CCCC1 37084325 168362758 /nfs/dbraw/zinc/36/27/58/168362758.db2.gz FZNZSSYIUXMMIY-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCCC[C@H]1C 36906936 168363015 /nfs/dbraw/zinc/36/30/15/168363015.db2.gz FKJUBXOAFFYPRZ-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]([NH3+])CCC[N@H+]1CCC[C@@H](C)C1 45598710 168363307 /nfs/dbraw/zinc/36/33/07/168363307.db2.gz MPLZIEYYEWNKIO-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCc2[nH+]cn(C)c2C1 76087923 168364023 /nfs/dbraw/zinc/36/40/23/168364023.db2.gz IECHWNWSLFFFAJ-BDAKNGLRSA-N 2 1 193.294 1.262 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCCc2c1[nH+]cn2C 76087895 168364034 /nfs/dbraw/zinc/36/40/34/168364034.db2.gz WEAFIHZFPCNXBD-BDAKNGLRSA-N 2 1 193.294 1.577 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCCc2[nH+]cn(C)c21 76087907 168364115 /nfs/dbraw/zinc/36/41/15/168364115.db2.gz YTHKIOQZMIIECC-BDAKNGLRSA-N 2 1 193.294 1.577 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCCc2[nH+]cn(C)c21 76087914 168364119 /nfs/dbraw/zinc/36/41/19/168364119.db2.gz YTHKIOQZMIIECC-RKDXNWHRSA-N 2 1 193.294 1.577 10 0 ADAEMP C[C@@H]([NH3+])C[NH2+]Cc1cccs1 40397576 168364160 /nfs/dbraw/zinc/36/41/60/168364160.db2.gz MZQBOEIRRSYUNU-SSDOTTSWSA-N 2 1 170.281 1.185 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCc2[nH+]cn(C)c2C1 76087928 168364280 /nfs/dbraw/zinc/36/42/80/168364280.db2.gz IECHWNWSLFFFAJ-RKDXNWHRSA-N 2 1 193.294 1.262 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCc2c([nH+]cn2C)C1 76087870 168364383 /nfs/dbraw/zinc/36/43/83/168364383.db2.gz QINMIIXLLCQUJI-RKDXNWHRSA-N 2 1 193.294 1.262 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCc2c([nH+]cn2C)C1 76087862 168364533 /nfs/dbraw/zinc/36/45/33/168364533.db2.gz QINMIIXLLCQUJI-BDAKNGLRSA-N 2 1 193.294 1.262 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCC[N@@H+](C)C1 75542983 168364581 /nfs/dbraw/zinc/36/45/81/168364581.db2.gz GWWPRNWHLPPSPL-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCCc2c1[nH+]cn2C 76087901 168365011 /nfs/dbraw/zinc/36/50/11/168365011.db2.gz WEAFIHZFPCNXBD-RKDXNWHRSA-N 2 1 193.294 1.577 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1 75542975 168365174 /nfs/dbraw/zinc/36/51/74/168365174.db2.gz GWWPRNWHLPPSPL-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccccc1 41053753 168366749 /nfs/dbraw/zinc/36/67/49/168366749.db2.gz NZQAGNJVGUWQIN-GHMZBOCLSA-N 2 1 192.306 1.854 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccccc1 41053753 168366750 /nfs/dbraw/zinc/36/67/50/168366750.db2.gz NZQAGNJVGUWQIN-GHMZBOCLSA-N 2 1 192.306 1.854 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2(C)CCC2)C1 307152823 168368560 /nfs/dbraw/zinc/36/85/60/168368560.db2.gz ZDJGFLBWUIHYHP-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 307152822 168368883 /nfs/dbraw/zinc/36/88/83/168368883.db2.gz ZDJGFLBWUIHYHP-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([NH2+]C1CC1)[C@H]1CCC[N@@H+](C)C1 37208373 168378742 /nfs/dbraw/zinc/37/87/42/168378742.db2.gz VFFNMYXYVIFQCF-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([NH2+]C1CC1)[C@@H]1CCC[N@@H+](C)C1 37208371 168379162 /nfs/dbraw/zinc/37/91/62/168379162.db2.gz VFFNMYXYVIFQCF-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([NH2+]C1CC1)c1c[nH+]ccc1N 335037686 168379248 /nfs/dbraw/zinc/37/92/48/168379248.db2.gz DHMZQFVBZQUUOC-SSDOTTSWSA-N 2 1 177.251 1.307 10 0 ADAEMP C[C@@H]([NH2+]C1CCC1)c1c[nH+]ccc1N 335044143 168379414 /nfs/dbraw/zinc/37/94/14/168379414.db2.gz TVPCOLDNVYALEI-MRVPVSSYSA-N 2 1 191.278 1.697 10 0 ADAEMP C[C@@H]([NH2+]C1CCC1)[C@@H]1CCC[N@@H+](C)C1 52207861 168379984 /nfs/dbraw/zinc/37/99/84/168379984.db2.gz URFIPCTWWHZPCJ-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1(C)CC1 37266978 168380019 /nfs/dbraw/zinc/38/00/19/168380019.db2.gz PQPIFSATNOORTA-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]([NH2+]CCC[NH3+])c1ccco1 37713223 168381157 /nfs/dbraw/zinc/38/11/57/168381157.db2.gz JBVAFWUTSZEPIR-MRVPVSSYSA-N 2 1 168.240 1.279 10 0 ADAEMP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCC[N@@H+](C)C1 37208771 168381251 /nfs/dbraw/zinc/38/12/51/168381251.db2.gz ZPAFMDFORMQPEU-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]([NH2+]CC1CC1)[C@H]1CCC[N@@H+](C)C1 37208773 168381777 /nfs/dbraw/zinc/38/17/77/168381777.db2.gz ZPAFMDFORMQPEU-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1(C)CC1 37484791 168383100 /nfs/dbraw/zinc/38/31/00/168383100.db2.gz FPGLFCNFWSUZFP-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1CC1 37484707 168383178 /nfs/dbraw/zinc/38/31/78/168383178.db2.gz MFZXGBRUQZQVMM-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccco1 95068383 168383227 /nfs/dbraw/zinc/38/32/27/168383227.db2.gz KPVCYOUWVRFWCX-ZJUUUORDSA-N 2 1 194.278 1.540 10 0 ADAEMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C)C1)C1(C)CC1 37484793 168383398 /nfs/dbraw/zinc/38/33/98/168383398.db2.gz FPGLFCNFWSUZFP-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1CC1 37484705 168383799 /nfs/dbraw/zinc/38/37/99/168383799.db2.gz MFZXGBRUQZQVMM-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccco1 95068381 168384685 /nfs/dbraw/zinc/38/46/85/168384685.db2.gz KPVCYOUWVRFWCX-NXEZZACHSA-N 2 1 194.278 1.540 10 0 ADAEMP C[C@@H](c1ccco1)[NH+]1CCC([NH3+])CC1 20521478 168406277 /nfs/dbraw/zinc/40/62/77/168406277.db2.gz DCWVEGUPKKKFCS-VIFPVBQESA-N 2 1 194.278 1.764 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCC[NH3+])C1 40717020 168431596 /nfs/dbraw/zinc/43/15/96/168431596.db2.gz SFOFEZYVZSNEQW-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CCC([NH3+])CC2)C1 55144438 168432417 /nfs/dbraw/zinc/43/24/17/168432417.db2.gz OEPAPNACBZFAIJ-KPPDAEKUSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CCCCC[NH3+] 49580691 168519464 /nfs/dbraw/zinc/51/94/64/168519464.db2.gz FSVSGEXHCWNYSV-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH3+])C[NH2+]Cc1cccs1 40397574 168548539 /nfs/dbraw/zinc/54/85/39/168548539.db2.gz MZQBOEIRRSYUNU-ZETCQYMHSA-N 2 1 170.281 1.185 10 0 ADAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1CC1 37484704 168566810 /nfs/dbraw/zinc/56/68/10/168566810.db2.gz MFZXGBRUQZQVMM-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)C1)C1(C)CC1 37484790 168566878 /nfs/dbraw/zinc/56/68/78/168566878.db2.gz FPGLFCNFWSUZFP-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 42172363 168617505 /nfs/dbraw/zinc/61/75/05/168617505.db2.gz LKKISQBZTZUBJS-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@H](C)C[C@]1(C)[NH+](C)C 13511856 168632888 /nfs/dbraw/zinc/63/28/88/168632888.db2.gz BYGSDTVASMACLN-AXFHLTTASA-N 2 1 184.327 1.667 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccco1 49708508 168652486 /nfs/dbraw/zinc/65/24/86/168652486.db2.gz RKDNXVUUKUXMTR-UWVGGRQHSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccco1 49708508 168652488 /nfs/dbraw/zinc/65/24/88/168652488.db2.gz RKDNXVUUKUXMTR-UWVGGRQHSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@H]1C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 306550559 168664796 /nfs/dbraw/zinc/66/47/96/168664796.db2.gz HUHUVVHUTOJKNU-JOYOIKCWSA-N 2 1 194.322 1.611 10 0 ADAEMP Cc1cc(NC(C)(C)C[NH3+])nc(C)[nH+]1 63020825 168770095 /nfs/dbraw/zinc/77/00/95/168770095.db2.gz JUKVKXLCJVDTHV-UHFFFAOYSA-N 2 1 194.282 1.243 10 0 ADAEMP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)o1 62117149 168813177 /nfs/dbraw/zinc/81/31/77/168813177.db2.gz JXAHFWPOUNYPRK-SNVBAGLBSA-N 2 1 194.278 1.287 10 0 ADAEMP Cc1cccc(C[NH2+]CC[NH3+])c1C 44418691 168866642 /nfs/dbraw/zinc/86/66/42/168866642.db2.gz HFPMGPAENYKEMN-UHFFFAOYSA-N 2 1 178.279 1.352 10 0 ADAEMP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[NH2+]C1 169676831 168903372 /nfs/dbraw/zinc/90/33/72/168903372.db2.gz DBPBTXZECRVLNS-JTQLQIEISA-N 2 1 191.278 1.603 10 0 ADAEMP Cc1[nH+]c(C)n(C)c1C1CC[NH2+]CC1 82387810 168935141 /nfs/dbraw/zinc/93/51/41/168935141.db2.gz BOFSWTHBXIMWJK-UHFFFAOYSA-N 2 1 193.294 1.504 10 0 ADAEMP Cc1[nH+]c2c(n1C1CC1)CC[C@@H]([NH3+])C2 76122860 168954331 /nfs/dbraw/zinc/95/43/31/168954331.db2.gz KUJKPLPQEIGFQK-MRVPVSSYSA-N 2 1 191.278 1.342 10 0 ADAEMP Cc1[nH+]c2c(n1C1CC1)CC[C@H]([NH3+])C2 76122858 168954560 /nfs/dbraw/zinc/95/45/60/168954560.db2.gz KUJKPLPQEIGFQK-QMMMGPOBSA-N 2 1 191.278 1.342 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] 36875165 168973226 /nfs/dbraw/zinc/97/32/26/168973226.db2.gz MPCOTFJTQHTHQD-DVVUODLYSA-N 2 1 193.294 1.880 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@H]1C[NH3+] 37159960 168973552 /nfs/dbraw/zinc/97/35/52/168973552.db2.gz OQBTWNMSFUCJGT-VHSXEESVSA-N 2 1 179.267 1.491 10 0 ADAEMP Cc1[nH+]cn(CC[C@@H](C)[NH3+])c1C 51926499 168976117 /nfs/dbraw/zinc/97/61/17/168976117.db2.gz IUSMUGKTIMNRDF-SSDOTTSWSA-N 2 1 167.256 1.237 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCCC[C@@H]1C[NH3+] 37159998 168976432 /nfs/dbraw/zinc/97/64/32/168976432.db2.gz VBXGDPIDGRGGLB-MNOVXSKESA-N 2 1 193.294 1.882 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)[C@@H](C)[NH3+] 11848597 168976598 /nfs/dbraw/zinc/97/65/98/168976598.db2.gz HWEOHHVPSSVOQY-RNFRBKRXSA-N 2 1 153.229 1.100 10 0 ADAEMP Cc1[nH+]cn2c1[C@H](CC[NH3+])CC2 82403304 168977517 /nfs/dbraw/zinc/97/75/17/168977517.db2.gz ZQBSEFAITVQROK-MRVPVSSYSA-N 2 1 165.240 1.028 10 0 ADAEMP Cc1oc(C[N@H+](C)C2CC2)cc1C[NH3+] 52445331 169008598 /nfs/dbraw/zinc/00/85/98/169008598.db2.gz ASXFXRKKFWVMML-UHFFFAOYSA-N 2 1 194.278 1.641 10 0 ADAEMP Cc1oc(C[NH3+])cc1C[N@H+](C)C(C)C 52419616 169008675 /nfs/dbraw/zinc/00/86/75/169008675.db2.gz RMTCYQVFJXKLRU-UHFFFAOYSA-N 2 1 196.294 1.887 10 0 ADAEMP Cc1oc(C[N@H+](C)C(C)C)cc1C[NH3+] 52419569 169009170 /nfs/dbraw/zinc/00/91/70/169009170.db2.gz ORTYKECFOKRCIL-UHFFFAOYSA-N 2 1 196.294 1.887 10 0 ADAEMP Cc1oc(C[NH3+])cc1C[N@H+](C)C1CC1 52445424 169009528 /nfs/dbraw/zinc/00/95/28/169009528.db2.gz YADYFBMGGCXCPD-UHFFFAOYSA-N 2 1 194.278 1.641 10 0 ADAEMP Cc1occc1C[N@@H+](C)C[C@H](C)C[NH3+] 42449224 169010951 /nfs/dbraw/zinc/01/09/51/169010951.db2.gz GFKSWVFMUCIXBC-SECBINFHSA-N 2 1 196.294 1.615 10 0 ADAEMP Cc1occc1C[N@H+](C)C[C@H](C)C[NH3+] 42449224 169010952 /nfs/dbraw/zinc/01/09/52/169010952.db2.gz GFKSWVFMUCIXBC-SECBINFHSA-N 2 1 196.294 1.615 10 0 ADAEMP Cc1occc1C[N@@H+](C)[C@@H](C)CC[NH3+] 42449256 169011062 /nfs/dbraw/zinc/01/10/62/169011062.db2.gz UIEORLWSGXGDOM-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@H+](C)[C@@H](C)CC[NH3+] 42449256 169011063 /nfs/dbraw/zinc/01/10/63/169011063.db2.gz UIEORLWSGXGDOM-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@@H+](C)C[C@@H](C)C[NH3+] 42449222 169011454 /nfs/dbraw/zinc/01/14/54/169011454.db2.gz GFKSWVFMUCIXBC-VIFPVBQESA-N 2 1 196.294 1.615 10 0 ADAEMP Cc1occc1C[N@H+](C)C[C@@H](C)C[NH3+] 42449222 169011456 /nfs/dbraw/zinc/01/14/56/169011456.db2.gz GFKSWVFMUCIXBC-VIFPVBQESA-N 2 1 196.294 1.615 10 0 ADAEMP Cc1occc1C[N@@H+](C)CCCC[NH3+] 42449220 169011479 /nfs/dbraw/zinc/01/14/79/169011479.db2.gz MQHJXUFWBNORAU-UHFFFAOYSA-N 2 1 196.294 1.759 10 0 ADAEMP Cc1occc1C[N@@H+](C)[C@H](C)CC[NH3+] 42449258 169011541 /nfs/dbraw/zinc/01/15/41/169011541.db2.gz UIEORLWSGXGDOM-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@H+](C)[C@H](C)CC[NH3+] 42449258 169011544 /nfs/dbraw/zinc/01/15/44/169011544.db2.gz UIEORLWSGXGDOM-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@@H+](C)CC[C@H](C)[NH3+] 42450072 169011661 /nfs/dbraw/zinc/01/16/61/169011661.db2.gz HPHYTHPKMZTHHP-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@H+](C)CC[C@H](C)[NH3+] 42450072 169011662 /nfs/dbraw/zinc/01/16/62/169011662.db2.gz HPHYTHPKMZTHHP-VIFPVBQESA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@H+](C)CCC[NH3+] 42449218 169011781 /nfs/dbraw/zinc/01/17/81/169011781.db2.gz FWTIHUQIJUMVCA-UHFFFAOYSA-N 2 1 182.267 1.369 10 0 ADAEMP Cc1occc1C[N@@H+](C)CCC[NH3+] 42449218 169011782 /nfs/dbraw/zinc/01/17/82/169011782.db2.gz FWTIHUQIJUMVCA-UHFFFAOYSA-N 2 1 182.267 1.369 10 0 ADAEMP Cc1occc1C[N@@H+](C)CC[C@@H](C)[NH3+] 42450070 169011870 /nfs/dbraw/zinc/01/18/70/169011870.db2.gz HPHYTHPKMZTHHP-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP Cc1occc1C[N@H+](C)CC[C@@H](C)[NH3+] 42450070 169011872 /nfs/dbraw/zinc/01/18/72/169011872.db2.gz HPHYTHPKMZTHHP-SECBINFHSA-N 2 1 196.294 1.757 10 0 ADAEMP Cn1c(C2CC2)[nH+]c2c1C[C@H]([NH3+])CC2 82389230 169031422 /nfs/dbraw/zinc/03/14/22/169031422.db2.gz MHPJPSAVGMYGHW-MRVPVSSYSA-N 2 1 191.278 1.114 10 0 ADAEMP Cn1c(C2CC2)[nH+]c2c1C[C@@H]([NH3+])CC2 82389229 169031571 /nfs/dbraw/zinc/03/15/71/169031571.db2.gz MHPJPSAVGMYGHW-QMMMGPOBSA-N 2 1 191.278 1.114 10 0 ADAEMP Cn1c(CC[NH3+])c[nH+]c1C(C)(C)C 95764219 169033167 /nfs/dbraw/zinc/03/31/67/169033167.db2.gz PYENPOJYCUSFFV-UHFFFAOYSA-N 2 1 181.283 1.219 10 0 ADAEMP Cn1cc[nH+]c1CCN1CCCC1=[NH2+] 45135510 169050928 /nfs/dbraw/zinc/05/09/28/169050928.db2.gz GHKDQTGHKZYGCO-UHFFFAOYSA-N 2 1 192.266 1.036 10 0 ADAEMP Cn1cc[nH+]c1C1CCC([NH3+])CC1 82529586 169052393 /nfs/dbraw/zinc/05/23/93/169052393.db2.gz TUHZMSMQUHQRHF-UHFFFAOYSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]c2c1C[C@H](CCC[NH3+])CC2 76087937 169055205 /nfs/dbraw/zinc/05/52/05/169055205.db2.gz OAMJHLOYSQHLEN-SECBINFHSA-N 2 1 193.294 1.264 10 0 ADAEMP Cn1c[nH+]c2c1CC[C@H](CCC[NH3+])C2 76087944 169055575 /nfs/dbraw/zinc/05/55/75/169055575.db2.gz AOHSWNKPLNLQII-VIFPVBQESA-N 2 1 193.294 1.264 10 0 ADAEMP Cn1c[nH+]c2c1CCC[C@@H]2CCC[NH3+] 76087950 169055782 /nfs/dbraw/zinc/05/57/82/169055782.db2.gz GMZRNYXYGPOYLV-SECBINFHSA-N 2 1 193.294 1.579 10 0 ADAEMP Cn1c[nH+]c2c1C[C@@H](CCC[NH3+])CC2 76087941 169055857 /nfs/dbraw/zinc/05/58/57/169055857.db2.gz OAMJHLOYSQHLEN-VIFPVBQESA-N 2 1 193.294 1.264 10 0 ADAEMP Cn1c[nH+]c2c1[C@@H](CCC[NH3+])CCC2 76087933 169055991 /nfs/dbraw/zinc/05/59/91/169055991.db2.gz YOIYSIDUJMAXFR-SECBINFHSA-N 2 1 193.294 1.579 10 0 ADAEMP Cn1c[nH+]c2c1[C@@H](CC[NH3+])CCC2 76087800 169056094 /nfs/dbraw/zinc/05/60/94/169056094.db2.gz BHPJTOGTQDNONJ-MRVPVSSYSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1c[nH+]c2c1[C@H](CCC[NH3+])CCC2 76087931 169056320 /nfs/dbraw/zinc/05/63/20/169056320.db2.gz YOIYSIDUJMAXFR-VIFPVBQESA-N 2 1 193.294 1.579 10 0 ADAEMP Cn1c[nH+]c2c1[C@H](CC[NH3+])CCC2 76087796 169056798 /nfs/dbraw/zinc/05/67/98/169056798.db2.gz BHPJTOGTQDNONJ-QMMMGPOBSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1c[nH+]c2c1CC[C@@H](CCC[NH3+])C2 76087947 169056812 /nfs/dbraw/zinc/05/68/12/169056812.db2.gz AOHSWNKPLNLQII-SECBINFHSA-N 2 1 193.294 1.264 10 0 ADAEMP Cn1c[nH+]c2c1CCC[C@H]2CCC[NH3+] 76087954 169056895 /nfs/dbraw/zinc/05/68/95/169056895.db2.gz GMZRNYXYGPOYLV-VIFPVBQESA-N 2 1 193.294 1.579 10 0 ADAEMP FCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 306925606 169078186 /nfs/dbraw/zinc/07/81/86/169078186.db2.gz MVHPCQOQWMVABO-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP FCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 306925604 169078341 /nfs/dbraw/zinc/07/83/41/169078341.db2.gz MVHPCQOQWMVABO-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP FCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 306925605 169078651 /nfs/dbraw/zinc/07/86/51/169078651.db2.gz MVHPCQOQWMVABO-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP FCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 306925607 169079297 /nfs/dbraw/zinc/07/92/97/169079297.db2.gz MVHPCQOQWMVABO-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(N)=[NH2+] 136199932 343977122 /nfs/dbraw/zinc/97/71/22/343977122.db2.gz PREDUULIPXNYIL-JGVFFNPUSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(N)=[NH2+] 136199932 343977123 /nfs/dbraw/zinc/97/71/23/343977123.db2.gz PREDUULIPXNYIL-JGVFFNPUSA-N 2 1 169.272 1.185 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](CCc2ccco2)C1 42590368 169216544 /nfs/dbraw/zinc/21/65/44/169216544.db2.gz LTMIWKBCYDCEEP-SNVBAGLBSA-N 2 1 194.278 1.103 10 0 ADAEMP [NH3+]C[C@H]1CC[C@@H]2CCCC[N@H+]2C1 39438948 169216563 /nfs/dbraw/zinc/21/65/63/169216563.db2.gz YWPNNMXVGPOGSU-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+](C(C2CC2)C2CC2)C1 49235722 169216647 /nfs/dbraw/zinc/21/66/47/169216647.db2.gz YJHJAPCIRSUABO-SECBINFHSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]2CCCC[C@H]2C1 82401701 169216687 /nfs/dbraw/zinc/21/66/87/169216687.db2.gz VRUOSNOYPOITTJ-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH2+]=C1CCCN1[C@H]1CC[N@H+](C2CC2)C1 44725634 169144587 /nfs/dbraw/zinc/14/45/87/169144587.db2.gz MSWVGZFQDSGFCR-JTQLQIEISA-N 2 1 193.294 1.296 10 0 ADAEMP [NH2+]=C1CCCN1[C@@H]1CC[N@H+](C2CC2)C1 44725633 169145182 /nfs/dbraw/zinc/14/51/82/169145182.db2.gz MSWVGZFQDSGFCR-SNVBAGLBSA-N 2 1 193.294 1.296 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@H]3CC[C@@H]2C3)CCCC1 49717010 169169476 /nfs/dbraw/zinc/16/94/76/169169476.db2.gz BYZZCODLLNIZJW-WDEREUQCSA-N 2 1 194.322 1.742 10 0 ADAEMP [NH3+]C1(CC[N@@H+]2C[C@H]3C[C@H]3C2)CCCC1 82386992 169169728 /nfs/dbraw/zinc/16/97/28/169169728.db2.gz TYWKPMIUHACJHB-PHIMTYICSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C1[C@H]2CCC[C@@H]1C[N@H+](C1CC1)C2 32629153 169173835 /nfs/dbraw/zinc/17/38/35/169173835.db2.gz YBNDKBXKCWEVLY-SLHIUPAKSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCCC1 20417469 169173952 /nfs/dbraw/zinc/17/39/52/169173952.db2.gz IHHCEPVWGCYULP-CLYYMRHHSA-N 2 1 194.322 1.883 10 0 ADAEMP [NH3+]CCC1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 62567796 169179503 /nfs/dbraw/zinc/17/95/03/169179503.db2.gz KLUQJRYVLFWLEO-CLYYMRHHSA-N 2 1 194.322 1.741 10 0 ADAEMP [NH3+]CCCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49716001 169180565 /nfs/dbraw/zinc/18/05/65/169180565.db2.gz GXFPJRLVTXGNOQ-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCCSCC1 42443323 169180722 /nfs/dbraw/zinc/18/07/22/169180722.db2.gz NBCYIFLWBCYHLA-UHFFFAOYSA-N 2 1 188.340 1.164 10 0 ADAEMP [NH3+]CCCCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49717022 169181043 /nfs/dbraw/zinc/18/10/43/169181043.db2.gz LQAMCRCFCHUNQD-NWDGAFQWSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCC[N@H+](Cc1ccco1)C1CC1 42692694 169182013 /nfs/dbraw/zinc/18/20/13/169182013.db2.gz BOEPLOIGPIFHDV-UHFFFAOYSA-N 2 1 194.278 1.593 10 0 ADAEMP [NH3+]CCC[N@@H+](Cc1ccco1)C1CC1 42692694 169182014 /nfs/dbraw/zinc/18/20/14/169182014.db2.gz BOEPLOIGPIFHDV-UHFFFAOYSA-N 2 1 194.278 1.593 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 36826552 169182337 /nfs/dbraw/zinc/18/23/37/169182337.db2.gz HHZCFIZVEOXUAQ-NEPJUHHUSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 36826548 169182528 /nfs/dbraw/zinc/18/25/28/169182528.db2.gz HHZCFIZVEOXUAQ-RYUDHWBXSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCCC[N@H+]1C[C@H]2CC[C@@H]1C2 49715983 169182898 /nfs/dbraw/zinc/18/28/98/169182898.db2.gz LGDSRTFFXWNEQK-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@H]2CCCC[C@H]21 36826550 169183047 /nfs/dbraw/zinc/18/30/47/169183047.db2.gz HHZCFIZVEOXUAQ-VXGBXAGGSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 36826547 169183058 /nfs/dbraw/zinc/18/30/58/169183058.db2.gz HHZCFIZVEOXUAQ-NWDGAFQWSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCCNc1ccc2[nH]c[nH+]c2c1 82588403 169183474 /nfs/dbraw/zinc/18/34/74/169183474.db2.gz UXPKIQGGMVIRCD-UHFFFAOYSA-N 2 1 190.250 1.324 10 0 ADAEMP [NH3+]CCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1 71790473 169183620 /nfs/dbraw/zinc/18/36/20/169183620.db2.gz QCUBQWNMMPXZFE-BKUVIOGVSA-N 2 1 192.306 1.089 10 0 ADAEMP [NH3+]CCCNc1[nH]c2ccccc2[nH+]1 35882026 169183704 /nfs/dbraw/zinc/18/37/04/169183704.db2.gz PHNONJHYIWLWCZ-UHFFFAOYSA-N 2 1 190.250 1.324 10 0 ADAEMP [NH3+]CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 72236204 169184064 /nfs/dbraw/zinc/18/40/64/169184064.db2.gz QCUBQWNMMPXZFE-WRWGMCAJSA-N 2 1 192.306 1.089 10 0 ADAEMP [NH3+]CCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1 71790474 169184237 /nfs/dbraw/zinc/18/42/37/169184237.db2.gz QCUBQWNMMPXZFE-IWDIQUIJSA-N 2 1 192.306 1.089 10 0 ADAEMP [NH3+]CCCc1ccc2[nH+]ccn2c1 44280668 169185939 /nfs/dbraw/zinc/18/59/39/169185939.db2.gz WBPRMIQUCXRXCQ-UHFFFAOYSA-N 2 1 175.235 1.226 10 0 ADAEMP [NH3+]CCCc1c[nH+]c2ccccn12 44283539 169186049 /nfs/dbraw/zinc/18/60/49/169186049.db2.gz ORBXLPKNMUPFGJ-UHFFFAOYSA-N 2 1 175.235 1.226 10 0 ADAEMP [NH3+]CC[N@@H+]1CCCC2(CCCC2)C1 334970221 169187471 /nfs/dbraw/zinc/18/74/71/169187471.db2.gz RRIGBOSGJASZGV-UHFFFAOYSA-N 2 1 182.311 1.601 10 0 ADAEMP [NH3+]CC[N@H+]1CCCC2(CCCC2)C1 334970221 169187473 /nfs/dbraw/zinc/18/74/73/169187473.db2.gz RRIGBOSGJASZGV-UHFFFAOYSA-N 2 1 182.311 1.601 10 0 ADAEMP [NH3+]CC[NH+]1C[C@H]2CCCC[C@@H]2C1 75557159 169187987 /nfs/dbraw/zinc/18/79/87/169187987.db2.gz WCTCWTVSLXYYPX-NXEZZACHSA-N 2 1 168.284 1.067 10 0 ADAEMP [NH3+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 116322728 169188143 /nfs/dbraw/zinc/18/81/43/169188143.db2.gz HFJDWLWQQGWUJI-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 116322728 169188145 /nfs/dbraw/zinc/18/81/45/169188145.db2.gz HFJDWLWQQGWUJI-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@H]2CCCC[C@H]2C1 75557152 169188376 /nfs/dbraw/zinc/18/83/76/169188376.db2.gz WCTCWTVSLXYYPX-AOOOYVTPSA-N 2 1 168.284 1.067 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@H]2CCCC[C@H]2C1 75557152 169188377 /nfs/dbraw/zinc/18/83/77/169188377.db2.gz WCTCWTVSLXYYPX-AOOOYVTPSA-N 2 1 168.284 1.067 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1 72236210 169188994 /nfs/dbraw/zinc/18/89/94/169188994.db2.gz PFQABNXNXHQRIS-WRWGMCAJSA-N 2 1 192.306 1.089 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1 72236210 169188995 /nfs/dbraw/zinc/18/89/95/169188995.db2.gz PFQABNXNXHQRIS-WRWGMCAJSA-N 2 1 192.306 1.089 10 0 ADAEMP [NH3+]CC[NH+]1C[C@@H]2CCCC[C@H]2C1 75557155 169189097 /nfs/dbraw/zinc/18/90/97/169189097.db2.gz WCTCWTVSLXYYPX-UWVGGRQHSA-N 2 1 168.284 1.067 10 0 ADAEMP [NH3+]CC[NH2+][C@H](c1cccs1)C1CC1 42331239 169189258 /nfs/dbraw/zinc/18/92/58/169189258.db2.gz LLWREAQKOYFOGU-JTQLQIEISA-N 2 1 196.319 1.748 10 0 ADAEMP [NH3+]CC[NH2+]Cc1c[nH]c2ccccc12 51754246 169189367 /nfs/dbraw/zinc/18/93/67/169189367.db2.gz IDVGGDFJLXEADU-UHFFFAOYSA-N 2 1 189.262 1.216 10 0 ADAEMP [NH3+]CC[NH2+]CCSc1ccccc1 27215313 169189572 /nfs/dbraw/zinc/18/95/72/169189572.db2.gz CCJWSPZKRUOYDU-UHFFFAOYSA-N 2 1 196.319 1.327 10 0 ADAEMP [NH3+]CC[NH2+][C@@H](c1cccs1)C1CC1 42331237 169189786 /nfs/dbraw/zinc/18/97/86/169189786.db2.gz LLWREAQKOYFOGU-SNVBAGLBSA-N 2 1 196.319 1.748 10 0 ADAEMP [NH3+]CC[NH2+][C@H]1C[C@@H]1c1ccccc1 44675780 169189886 /nfs/dbraw/zinc/18/98/86/169189886.db2.gz SEVHAAWKAYSOKN-MNOVXSKESA-N 2 1 176.263 1.091 10 0 ADAEMP [NH3+]CC[NH2+][C@@H]1C[C@@H]1c1ccccc1 44675782 169189895 /nfs/dbraw/zinc/18/98/95/169189895.db2.gz SEVHAAWKAYSOKN-GHMZBOCLSA-N 2 1 176.263 1.091 10 0 ADAEMP [NH3+]CC[NH2+]CCC1=CCCCC1 19732660 169190514 /nfs/dbraw/zinc/19/05/14/169190514.db2.gz HQLRDBPHHIJRSV-UHFFFAOYSA-N 2 1 168.284 1.425 10 0 ADAEMP [NH3+]CC[NH2+]CC1CCCCC1 37712318 169190567 /nfs/dbraw/zinc/19/05/67/169190567.db2.gz LFEPPILEVCKNJN-UHFFFAOYSA-N 2 1 156.273 1.115 10 0 ADAEMP [NH3+]CC[NH2+][C@@H]1C[C@H]1c1ccccc1 44675781 169190735 /nfs/dbraw/zinc/19/07/35/169190735.db2.gz SEVHAAWKAYSOKN-WDEREUQCSA-N 2 1 176.263 1.091 10 0 ADAEMP [NH3+]CC[NH2+]CCCc1ccccc1 19732699 169191117 /nfs/dbraw/zinc/19/11/17/169191117.db2.gz UWQIWQFJCFEWND-UHFFFAOYSA-N 2 1 178.279 1.168 10 0 ADAEMP [NH3+]CC[NH2+]CCCC1CCCCC1 74339400 169191139 /nfs/dbraw/zinc/19/11/39/169191139.db2.gz MAFJAMPYBUODFG-UHFFFAOYSA-N 2 1 184.327 1.895 10 0 ADAEMP [NH3+]CC[NH2+]CCc1cccc(Cl)c1 19732713 169191163 /nfs/dbraw/zinc/19/11/63/169191163.db2.gz UTWSUHNNQSNWAC-UHFFFAOYSA-N 2 1 198.697 1.431 10 0 ADAEMP [NH3+]CC[NH2+][C@H]1C[C@H]1c1ccccc1 44675779 169191184 /nfs/dbraw/zinc/19/11/84/169191184.db2.gz SEVHAAWKAYSOKN-QWRGUYRKSA-N 2 1 176.263 1.091 10 0 ADAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1C1CC1 82401789 169193415 /nfs/dbraw/zinc/19/34/15/169193415.db2.gz NKBKTGWXQAPCEJ-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]CC[C@@H]1CCCc2[nH+]c[nH]c21 39133245 169193877 /nfs/dbraw/zinc/19/38/77/169193877.db2.gz DVMPHLFLWIBNLC-ZETCQYMHSA-N 2 1 165.240 1.178 10 0 ADAEMP [NH3+]CC[C@@H]1CCCc2[nH]c[nH+]c21 39133245 169193879 /nfs/dbraw/zinc/19/38/79/169193879.db2.gz DVMPHLFLWIBNLC-ZETCQYMHSA-N 2 1 165.240 1.178 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCCCC[C@@H]12 82394874 169193974 /nfs/dbraw/zinc/19/39/74/169193974.db2.gz WXVXSAHAUPMYLH-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCCC[C@@H]12 98103285 169193997 /nfs/dbraw/zinc/19/39/97/169193997.db2.gz AOJCMEBOFZPYJC-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+]2CCC[C@H]12 82401756 169194066 /nfs/dbraw/zinc/19/40/66/169194066.db2.gz DEJADIHHKXGGPE-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+](C2CCCC2)C1 77270182 169194175 /nfs/dbraw/zinc/19/41/75/169194175.db2.gz PXOIJBKNORODCR-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+](C2CCCCC2)C1 82909729 169194368 /nfs/dbraw/zinc/19/43/68/169194368.db2.gz WRORASCZMQBNRJ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCC[C@@H]2C1 82401697 169194533 /nfs/dbraw/zinc/19/45/33/169194533.db2.gz ZDBIOKJSJLTZIL-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCC[C@H]2C1 82401698 169194588 /nfs/dbraw/zinc/19/45/88/169194588.db2.gz ZDBIOKJSJLTZIL-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 43568769 169194645 /nfs/dbraw/zinc/19/46/45/169194645.db2.gz XQCAESFHFWSFTC-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCCC[C@H]2C1 82394745 169194696 /nfs/dbraw/zinc/19/46/96/169194696.db2.gz KFRXOQLWXHGMOV-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCCCC[C@H]12 82394872 169194744 /nfs/dbraw/zinc/19/47/44/169194744.db2.gz WXVXSAHAUPMYLH-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+]2CCC[C@@H]12 82401754 169194811 /nfs/dbraw/zinc/19/48/11/169194811.db2.gz DEJADIHHKXGGPE-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[C@H]1CC[N@H+]2CCCC[C@@H]12 82401757 169194948 /nfs/dbraw/zinc/19/49/48/169194948.db2.gz 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BEVUZSWIVZXGQQ-MNOVXSKESA-N 2 1 180.295 1.376 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 45630708 169275035 /nfs/dbraw/zinc/27/50/35/169275035.db2.gz BEVUZSWIVZXGQQ-MNOVXSKESA-N 2 1 180.295 1.376 10 0 ADAEMP [NH3+][C@H]1CCc2[nH+]c(C3CC3)[nH]c2C1 76122977 169275524 /nfs/dbraw/zinc/27/55/24/169275524.db2.gz YKXLCBBMSSQAMZ-ZETCQYMHSA-N 2 1 177.251 1.103 10 0 ADAEMP [NH3+][C@H]1CC[C@]2(CC[N@H+](C3CC3)C2)C1 95077327 169276090 /nfs/dbraw/zinc/27/60/90/169276090.db2.gz OQWKRBYNMOUJPE-ONGXEEELSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CC[C@@]2(CC[N@H+](C3CC3)C2)C1 95077328 169276350 /nfs/dbraw/zinc/27/63/50/169276350.db2.gz OQWKRBYNMOUJPE-GXSJLCMTSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1C[C@@H]1Nc1[nH]c2ccccc2[nH+]1 37757004 169278817 /nfs/dbraw/zinc/27/88/17/169278817.db2.gz CRVDNIVLAWNPBM-RCOVLWMOSA-N 2 1 188.234 1.074 10 0 ADAEMP [NH3+][C@H]1C[C@H]1Nc1[nH]c2ccccc2[nH+]1 37757003 169280179 /nfs/dbraw/zinc/28/01/79/169280179.db2.gz CRVDNIVLAWNPBM-IMTBSYHQSA-N 2 1 188.234 1.074 10 0 ADAEMP [NH3+]C[C@H]1CC[C@]2(CC[N@H+](C3CC3)C2)C1 95077537 169217229 /nfs/dbraw/zinc/21/72/29/169217229.db2.gz JPLDVSZYVKSTSG-JQWIXIFHSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@H]1C[C@H](c2ccccc2)C[NH2+]1 39281919 169217501 /nfs/dbraw/zinc/21/75/01/169217501.db2.gz GZBRSIAGVAWGNO-WDEREUQCSA-N 2 1 176.263 1.091 10 0 ADAEMP [NH3+]C[C@H]1C[C@@H](c2ccccc2)C[NH2+]1 39281918 169217745 /nfs/dbraw/zinc/21/77/45/169217745.db2.gz GZBRSIAGVAWGNO-GHMZBOCLSA-N 2 1 176.263 1.091 10 0 ADAEMP [NH3+][C@@H]1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 142838208 344015423 /nfs/dbraw/zinc/01/54/23/344015423.db2.gz XVNCEYGZCTXFSZ-JGPRNRPPSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CC1 144355093 344026133 /nfs/dbraw/zinc/02/61/33/344026133.db2.gz HATVPLVUTQKPEI-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 3734778 171010404 /nfs/dbraw/zinc/01/04/04/171010404.db2.gz JNYCBCGVMYGERE-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCCC[C@H]1Cc1c[nH]cn1 3793849 171010570 /nfs/dbraw/zinc/01/05/70/171010570.db2.gz RMWRSGFHUAZSIF-JTQLQIEISA-N 2 1 179.267 1.437 10 0 ADAEMP C[NH+]1CC=C(C2=CC[N@@H+](C)CC2)CC1 5966246 171018806 /nfs/dbraw/zinc/01/88/06/171018806.db2.gz TXJUYWHNBPWNFV-UHFFFAOYSA-N 2 1 192.306 1.510 10 0 ADAEMP CC[NH+](CC)[C@@H](C[NH3+])CCSC 37395721 171030068 /nfs/dbraw/zinc/03/00/68/171030068.db2.gz JHHCZLDEZFMZMM-SECBINFHSA-N 2 1 190.356 1.409 10 0 ADAEMP Cc1cc[nH+]c(N2CC[C@@H](C[NH3+])C2)c1 19844184 171035727 /nfs/dbraw/zinc/03/57/27/171035727.db2.gz MGQOCKDVHQQOMM-JTQLQIEISA-N 2 1 191.278 1.175 10 0 ADAEMP Cc1cc[nH+]c(N2CC[C@H](C[NH3+])C2)c1 19844185 171036002 /nfs/dbraw/zinc/03/60/02/171036002.db2.gz MGQOCKDVHQQOMM-SNVBAGLBSA-N 2 1 191.278 1.175 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])C[NH+]1CCCCC1 23067236 171042941 /nfs/dbraw/zinc/04/29/41/171042941.db2.gz HBVFNLLTORWUQS-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCc1[nH+]c(C2CC[NH2+]CC2)[nH]c1C 36874253 171062502 /nfs/dbraw/zinc/06/25/02/171062502.db2.gz JQUOIEUTSRQCBU-UHFFFAOYSA-N 2 1 193.294 1.748 10 0 ADAEMP CCc1[nH]c(C2CC[NH2+]CC2)[nH+]c1C 36874253 171062505 /nfs/dbraw/zinc/06/25/05/171062505.db2.gz JQUOIEUTSRQCBU-UHFFFAOYSA-N 2 1 193.294 1.748 10 0 ADAEMP [NH3+]C1CCC(c2[nH]cc[nH+]2)CC1 37482517 171064687 /nfs/dbraw/zinc/06/46/87/171064687.db2.gz DJYYTFMSLFGZJS-UHFFFAOYSA-N 2 1 165.240 1.395 10 0 ADAEMP C[NH+]1CCC([NH2+]C(C)(C)C)CC1 73652746 171066653 /nfs/dbraw/zinc/06/66/53/171066653.db2.gz DEMGFMRQQZQFBO-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP [NH3+]CC1C[C@@H]2CCC[C@H](C1)[N@H+]2C1CC1 38343312 171069448 /nfs/dbraw/zinc/06/94/48/171069448.db2.gz JYQFPQXHTQPKST-CLYYMRHHSA-N 2 1 194.322 1.741 10 0 ADAEMP [NH3+]CC1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 38343318 171069553 /nfs/dbraw/zinc/06/95/53/171069553.db2.gz WDTFYCOSMIXSEE-YOGCLGLASA-N 2 1 194.322 1.598 10 0 ADAEMP C[NH+](C)CC[PH+](C)C 39078046 171073507 /nfs/dbraw/zinc/07/35/07/171073507.db2.gz MUOQGMMQUSHAOW-UHFFFAOYSA-N 2 1 133.175 1.290 10 0 ADAEMP C[NH+]1CCC([NH3+])(c2cccs2)CC1 40237732 171080321 /nfs/dbraw/zinc/08/03/21/171080321.db2.gz CMRXQYWWUQUKPF-UHFFFAOYSA-N 2 1 196.319 1.628 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+](C)C(C)C 43813738 171089182 /nfs/dbraw/zinc/08/91/82/171089182.db2.gz HHHDNNLSFKOCCJ-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+](C)C(C)C 43813738 171089184 /nfs/dbraw/zinc/08/91/84/171089184.db2.gz HHHDNNLSFKOCCJ-JTQLQIEISA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@@H]2CC2(C)C)CC[NH2+]1 45136714 171092647 /nfs/dbraw/zinc/09/26/47/171092647.db2.gz YQIKOGUJORSWIY-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC2(C)C)CC[NH2+]1 45136714 171092649 /nfs/dbraw/zinc/09/26/49/171092649.db2.gz YQIKOGUJORSWIY-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH+]1CCC([NH2+]Cc2ccc[nH]2)CC1 48436594 171094291 /nfs/dbraw/zinc/09/42/91/171094291.db2.gz CVVNOFCGDTVKSB-UHFFFAOYSA-N 2 1 193.294 1.199 10 0 ADAEMP CC(=O)CCCC[N@H+]1CC[C@H](C[NH3+])C1 50250112 171095479 /nfs/dbraw/zinc/09/54/79/171095479.db2.gz FFZZZWWYRCJPOG-LLVKDONJSA-N 2 1 198.310 1.026 10 0 ADAEMP [NH3+]CC1([NH2+]C2CC2)CCCCC1 50271265 171095573 /nfs/dbraw/zinc/09/55/73/171095573.db2.gz ANGVOOGNNCSOGZ-UHFFFAOYSA-N 2 1 168.284 1.400 10 0 ADAEMP [NH3+]CC1([NH2+]C2CC2)CCCC1 50271077 171095819 /nfs/dbraw/zinc/09/58/19/171095819.db2.gz KJBTZMOCIHIBQV-UHFFFAOYSA-N 2 1 154.257 1.010 10 0 ADAEMP [NH3+]CC1([NH2+]C2CC2)CCCCCC1 50271093 171095827 /nfs/dbraw/zinc/09/58/27/171095827.db2.gz HEGNJYLXDHAZPP-UHFFFAOYSA-N 2 1 182.311 1.790 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CCC2)CC[NH2+]1 52213779 171097835 /nfs/dbraw/zinc/09/78/35/171097835.db2.gz ZKPRUSUCJHKLMY-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCCC[C@H](CC[NH3+])C1 76592096 171117062 /nfs/dbraw/zinc/11/70/62/171117062.db2.gz IDIARPZQWBKFLU-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP C[N@H+]1CCCCC[C@H]1CC[NH3+] 76592093 171117212 /nfs/dbraw/zinc/11/72/12/171117212.db2.gz RQWVVARERACGMS-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP C[N@H+]1CCCCC[C@@H]1CC[NH3+] 76592090 171117232 /nfs/dbraw/zinc/11/72/32/171117232.db2.gz RQWVVARERACGMS-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP C[N@H+]1CCCC[C@@H](CC[NH3+])C1 76592100 171117244 /nfs/dbraw/zinc/11/72/44/171117244.db2.gz IDIARPZQWBKFLU-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]C2CC2)CC1 76597116 171118097 /nfs/dbraw/zinc/11/80/97/171118097.db2.gz XNQYWQOMDIITAI-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC2)CC1 76607643 171118821 /nfs/dbraw/zinc/11/88/21/171118821.db2.gz JSKCCWRQOHQPNS-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH+]1CCC([NH3+])(c2ccsc2)CC1 82385597 171122044 /nfs/dbraw/zinc/12/20/44/171122044.db2.gz GIXGCNZTFTXBKD-UHFFFAOYSA-N 2 1 196.319 1.628 10 0 ADAEMP C[N@H+]1CCc2c(C[NH3+])csc2C1 82635395 171124256 /nfs/dbraw/zinc/12/42/56/171124256.db2.gz VXRBEADTMCHJPV-UHFFFAOYSA-N 2 1 182.292 1.195 10 0 ADAEMP C[N@H+]1CCc2c(C[NH3+])cccc2C1 82789736 171124557 /nfs/dbraw/zinc/12/45/57/171124557.db2.gz VJJMQCXLZFFMGT-UHFFFAOYSA-N 2 1 176.263 1.133 10 0 ADAEMP C[C@@H]1CC2(CC[NH2+]CC2)CC[N@H+]1C 83275108 171129182 /nfs/dbraw/zinc/12/91/82/171129182.db2.gz VRTFEERNXYKUFC-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCC2(CCC(C[NH3+])CC2)C1 83275131 171129186 /nfs/dbraw/zinc/12/91/86/171129186.db2.gz OAODJDUFQMEXCQ-UHFFFAOYSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC2(CC[NH2+]CC2)CC[N@H+]1C 83275109 171129219 /nfs/dbraw/zinc/12/92/19/171129219.db2.gz VRTFEERNXYKUFC-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH+]1CCC2(CC1)CC[N@H+](C1CC1)C2 95075648 171135004 /nfs/dbraw/zinc/13/50/04/171135004.db2.gz RIHQEWLOHZQKNV-UHFFFAOYSA-N 2 1 194.322 1.567 10 0 ADAEMP C[NH+]1CCC2(CC1)CC[N@H+](C)C2 95075612 171135097 /nfs/dbraw/zinc/13/50/97/171135097.db2.gz XCGAGBWTJLMLSN-UHFFFAOYSA-N 2 1 168.284 1.034 10 0 ADAEMP [NH3+]CC1CC2(CC[N@H+](C3CC3)C2)C1 95077514 171135131 /nfs/dbraw/zinc/13/51/31/171135131.db2.gz ZNELIKZSXKTBEN-UHFFFAOYSA-N 2 1 180.295 1.210 10 0 ADAEMP C[N@H+]1CCC2(CCC([NH3+])CC2)C1 95075611 171135324 /nfs/dbraw/zinc/13/53/24/171135324.db2.gz IIRAUKSPTSXRSB-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C1CCC2(CC1)CC[N@H+](C1CC1)C2 95077329 171135561 /nfs/dbraw/zinc/13/55/61/171135561.db2.gz JHIQCGLKFQBCGR-UHFFFAOYSA-N 2 1 194.322 1.742 10 0 ADAEMP C[N@H+]1CCC2(CC[NH+](C3CC3)CC2)C1 95075620 171135652 /nfs/dbraw/zinc/13/56/52/171135652.db2.gz OADZKYCOKBUSTP-UHFFFAOYSA-N 2 1 194.322 1.567 10 0 ADAEMP Cc1cc[nH+]c(C)c1CCC[NH3+] 95768215 171139278 /nfs/dbraw/zinc/13/92/78/171139278.db2.gz MMNJOSLGWHGNAJ-UHFFFAOYSA-N 2 1 164.252 1.590 10 0 ADAEMP CCCCCC[NH2+][C@@H]1CCC[NH2+]C1 43324855 171150535 /nfs/dbraw/zinc/15/05/35/171150535.db2.gz MIHHUORANMBBKN-LLVKDONJSA-N 2 1 184.327 1.908 10 0 ADAEMP CCCCCC[NH2+][C@H]1CCC[NH2+]C1 43324857 171150632 /nfs/dbraw/zinc/15/06/32/171150632.db2.gz MIHHUORANMBBKN-NSHDSACASA-N 2 1 184.327 1.908 10 0 ADAEMP Cc1cc[nH+]c(N(C)C[C@H](C)C[NH3+])c1 43561313 171151279 /nfs/dbraw/zinc/15/12/79/171151279.db2.gz QZSZJGAFCFIVOZ-SNVBAGLBSA-N 2 1 193.294 1.421 10 0 ADAEMP CCC[NH2+][C@@H](C)CC[N@@H+](C)C1CC1 43823888 171151371 /nfs/dbraw/zinc/15/13/71/171151371.db2.gz JKWZPLVLPHSWRD-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+](C)CC(C)C 43887076 171151397 /nfs/dbraw/zinc/15/13/97/171151397.db2.gz WCOGAUNSTAKHHH-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+](C)CC(C)C 43887076 171151399 /nfs/dbraw/zinc/15/13/99/171151399.db2.gz WCOGAUNSTAKHHH-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+](C)CCC 43886351 171151471 /nfs/dbraw/zinc/15/14/71/171151471.db2.gz LPFYCZMVFIKVBB-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+](C)CCC 43886351 171151472 /nfs/dbraw/zinc/15/14/72/171151472.db2.gz LPFYCZMVFIKVBB-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP Cc1cc[nH+]c(N(C)C[C@@H](C)C[NH3+])c1 43561312 171151478 /nfs/dbraw/zinc/15/14/78/171151478.db2.gz QZSZJGAFCFIVOZ-JTQLQIEISA-N 2 1 193.294 1.421 10 0 ADAEMP Cc1cc[nH+]c(N(C)CCC[NH3+])c1 43561267 171151524 /nfs/dbraw/zinc/15/15/24/171151524.db2.gz PDWRPFYRISKDFJ-UHFFFAOYSA-N 2 1 179.267 1.175 10 0 ADAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@H+](C)CC 43821208 171151532 /nfs/dbraw/zinc/15/15/32/171151532.db2.gz HDUACJLWQUKUSS-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@@H](C)[C@@H](C)[N@@H+](C)CC 43821208 171151533 /nfs/dbraw/zinc/15/15/33/171151533.db2.gz HDUACJLWQUKUSS-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@@H](C)CC[N@@H+](C)CC 43821152 171151539 /nfs/dbraw/zinc/15/15/39/171151539.db2.gz PWSCUZPKUKVDFH-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP Cc1cc[nH+]c(N(C)CCC(N)=[NH2+])c1 43561373 171151624 /nfs/dbraw/zinc/15/16/24/171151624.db2.gz DTZVDGFAORKJIS-UHFFFAOYSA-N 2 1 192.266 1.152 10 0 ADAEMP CCC[NH2+][C@@H](C)CCn1cc[nH+]c1C 43993707 171151942 /nfs/dbraw/zinc/15/19/42/171151942.db2.gz ADVPCVBAQAVJDW-JTQLQIEISA-N 2 1 195.310 1.970 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H]1C 43903715 171152060 /nfs/dbraw/zinc/15/20/60/171152060.db2.gz LGGWZZDXHLIQMO-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H](C)C[N@H+]1CCC[C@@H]1C 43903715 171152062 /nfs/dbraw/zinc/15/20/62/171152062.db2.gz LGGWZZDXHLIQMO-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H](C)Cn1cc[nH+]c1CC 44036017 171152133 /nfs/dbraw/zinc/15/21/33/171152133.db2.gz CUBAQSJGUGCKPE-JTQLQIEISA-N 2 1 195.310 1.834 10 0 ADAEMP CCC[NH2+][C@@H](C)Cn1cc[nH+]c1C 43993711 171152208 /nfs/dbraw/zinc/15/22/08/171152208.db2.gz UIZNYTYYDHCCNM-VIFPVBQESA-N 2 1 181.283 1.580 10 0 ADAEMP C[N@H+]1CCCC[C@H]1CC[NH2+]C1CC1 49773068 171154981 /nfs/dbraw/zinc/15/49/81/171154981.db2.gz TVQJREZERXXZRZ-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CC[NH2+]C1CC1 49773067 171155016 /nfs/dbraw/zinc/15/50/16/171155016.db2.gz TVQJREZERXXZRZ-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(=O)CCC[N@H+](C)C1CC[NH2+]CC1 50158757 171155392 /nfs/dbraw/zinc/15/53/92/171155392.db2.gz JNBIWAYFEVVBMV-UHFFFAOYSA-N 2 1 198.310 1.039 10 0 ADAEMP Cc1ccc(C[NH2+]C[C@@H](C)[NH3+])s1 50226805 171155572 /nfs/dbraw/zinc/15/55/72/171155572.db2.gz CJWTWCDAXARCDF-SSDOTTSWSA-N 2 1 184.308 1.493 10 0 ADAEMP CC(=O)CCCC[N@H+]1CC[C@@H](C[NH3+])C1 50250114 171155735 /nfs/dbraw/zinc/15/57/35/171155735.db2.gz FFZZZWWYRCJPOG-NSHDSACASA-N 2 1 198.310 1.026 10 0 ADAEMP C[NH+]1CCC([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)CC1 306879681 171159003 /nfs/dbraw/zinc/15/90/03/171159003.db2.gz GNZLFHGVPGNPKV-PEGIJTEDSA-N 2 1 194.322 1.469 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]CC2)C1 82385559 171168640 /nfs/dbraw/zinc/16/86/40/171168640.db2.gz ZHZSPVQZHBNYSD-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)CC1 82385478 171168771 /nfs/dbraw/zinc/16/87/71/171168771.db2.gz NDWKUIZFVLPNBQ-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 82394741 171170170 /nfs/dbraw/zinc/17/01/70/171170170.db2.gz IQWIKONKNRNKLR-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CCCCC[C@H]1CCC[NH3+] 82400721 171170681 /nfs/dbraw/zinc/17/06/81/171170681.db2.gz RGGIWTLAIXYESQ-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[N@H+]1CCCCC[C@@H]1CCC[NH3+] 82400720 171170771 /nfs/dbraw/zinc/17/07/71/171170771.db2.gz RGGIWTLAIXYESQ-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1CCC[NH3+] 82406159 171171413 /nfs/dbraw/zinc/17/14/13/171171413.db2.gz NTXGWRFFUCVGLH-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP C[N@H+]1CCCC[C@@H]2C[NH2+]CC[C@H]21 82401797 171171467 /nfs/dbraw/zinc/17/14/67/171171467.db2.gz XAQVGTFVKOYXQP-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCCC[C@H]1CCC[NH3+] 82406160 171171599 /nfs/dbraw/zinc/17/15/99/171171599.db2.gz NTXGWRFFUCVGLH-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 82401781 171171631 /nfs/dbraw/zinc/17/16/31/171171631.db2.gz QWTCXAQKJWJRCV-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 82401782 171171659 /nfs/dbraw/zinc/17/16/59/171171659.db2.gz QWTCXAQKJWJRCV-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CCCCCC12CC[NH2+]CC2 82875400 171176312 /nfs/dbraw/zinc/17/63/12/171176312.db2.gz MQTSEKWQYSOVHX-UHFFFAOYSA-N 2 1 182.311 1.614 10 0 ADAEMP Cc1cc[nH+]c(N(C)C2CC([NH3+])C2)c1 307687802 171179677 /nfs/dbraw/zinc/17/96/77/171179677.db2.gz FHARBJBVLPXJRO-UHFFFAOYSA-N 2 1 191.278 1.316 10 0 ADAEMP C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 83270891 171180254 /nfs/dbraw/zinc/18/02/54/171180254.db2.gz DMOKZPKTNBSENX-JTQLQIEISA-N 2 1 168.284 1.082 10 0 ADAEMP C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 83270890 171180357 /nfs/dbraw/zinc/18/03/57/171180357.db2.gz DMOKZPKTNBSENX-SNVBAGLBSA-N 2 1 168.284 1.082 10 0 ADAEMP C[C@H]1CC2(CC[NH2+]CC2)C[C@@H](C)[N@H+]1C 83281554 171180391 /nfs/dbraw/zinc/18/03/91/171180391.db2.gz FYXJRHVMMIIIGA-PHIMTYICSA-N 2 1 196.338 1.859 10 0 ADAEMP C1C[C@H]2C[N@@H+](C1)CCC21CC[NH2+]CC1 83279877 171181112 /nfs/dbraw/zinc/18/11/12/171181112.db2.gz DLMVQSHBCRCRML-NSHDSACASA-N 2 1 194.322 1.472 10 0 ADAEMP C[NH+]1CCC([NH2+][C@@H]2CC2(C)C)CC1 45115410 171190064 /nfs/dbraw/zinc/19/00/64/171190064.db2.gz DHXJRPJLRXRGGX-SNVBAGLBSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1 335285231 171201948 /nfs/dbraw/zinc/20/19/48/171201948.db2.gz RCPDTGDQUFAVGW-JTQLQIEISA-N 2 1 180.295 1.223 10 0 ADAEMP C[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1 335285232 171202147 /nfs/dbraw/zinc/20/21/47/171202147.db2.gz RCPDTGDQUFAVGW-SNVBAGLBSA-N 2 1 180.295 1.223 10 0 ADAEMP Cc1ccc2[nH]c(NCC[NH3+])nc2c1 82741376 171222643 /nfs/dbraw/zinc/22/26/43/171222643.db2.gz UMFFPEYFRUPGAC-UHFFFAOYSA-N 2 1 190.250 1.242 10 0 ADAEMP Cc1ccc2[nH]c(NCC[NH3+])[nH+]c2c1 82741376 171222645 /nfs/dbraw/zinc/22/26/45/171222645.db2.gz UMFFPEYFRUPGAC-UHFFFAOYSA-N 2 1 190.250 1.242 10 0 ADAEMP Cc1ccc2[nH+]c(NCC[NH3+])[nH]c2c1 82741376 171222646 /nfs/dbraw/zinc/22/26/46/171222646.db2.gz UMFFPEYFRUPGAC-UHFFFAOYSA-N 2 1 190.250 1.242 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+]2CCC[C@H]2C1 157022779 344099508 /nfs/dbraw/zinc/09/95/08/344099508.db2.gz NUGZDOUMRXGEPT-CGXZDELUSA-N 2 1 180.295 1.520 10 0 ADAEMP C[C@@H]1C[C@@H]([C@@H]2CC[NH2+]C2)CC[N@H+]1C 157025494 344099523 /nfs/dbraw/zinc/09/95/23/344099523.db2.gz IQIDWXLRZWCDRU-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C/C(=C\CC[NH3+])CC[N@H+]1C 157022418 344099537 /nfs/dbraw/zinc/09/95/37/344099537.db2.gz KWZSTQXQAUOWPR-SGRPLGENSA-N 2 1 168.284 1.376 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@H+](C2CCC2)C1 157381617 344105276 /nfs/dbraw/zinc/10/52/76/344105276.db2.gz JXYGUTZIVFHKJK-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[C@H](C)[N@H+](C2CC[NH2+]CC2)C1 157870802 344115683 /nfs/dbraw/zinc/11/56/83/344115683.db2.gz XIQCCOSAZNNXNN-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C[C@@](F)(C1CC1)[C@H]1CCCC[NH2+]1 158420672 344126424 /nfs/dbraw/zinc/12/64/24/344126424.db2.gz IXZGSTVLILVHEX-NXEZZACHSA-N 2 1 186.274 1.206 10 0 ADAEMP [NH3+]C[C@@](F)(C1CC1)[C@@H]1CCCC[NH2+]1 158420532 344126443 /nfs/dbraw/zinc/12/64/43/344126443.db2.gz IXZGSTVLILVHEX-VHSXEESVSA-N 2 1 186.274 1.206 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C2CCCC2)C1 160580468 344170261 /nfs/dbraw/zinc/17/02/61/344170261.db2.gz PBTZMAUKBOQAFY-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(C)(C)C)C1 160578820 344170265 /nfs/dbraw/zinc/17/02/65/344170265.db2.gz RNEOYYJZWALCDF-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccoc2)C1 160580231 344170269 /nfs/dbraw/zinc/17/02/69/344170269.db2.gz FQYFWQNXQUPMMC-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(C)(C)C)C1 160578589 344170284 /nfs/dbraw/zinc/17/02/84/344170284.db2.gz RNEOYYJZWALCDF-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(C)(C)C)C1 160578699 344170290 /nfs/dbraw/zinc/17/02/90/344170290.db2.gz RNEOYYJZWALCDF-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccoc2)C1 160580101 344170298 /nfs/dbraw/zinc/17/02/98/344170298.db2.gz FQYFWQNXQUPMMC-ONGXEEELSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 160577677 344170309 /nfs/dbraw/zinc/17/03/09/344170309.db2.gz GNDKYTQQBIVKPB-DCAQKATOSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C2(C)CC2)C1 160577421 344170315 /nfs/dbraw/zinc/17/03/15/344170315.db2.gz GNDKYTQQBIVKPB-GARJFASQSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 160572827 344170324 /nfs/dbraw/zinc/17/03/24/344170324.db2.gz LLATYDIRAMZWFE-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccoc2)C1 160579979 344170334 /nfs/dbraw/zinc/17/03/34/344170334.db2.gz FQYFWQNXQUPMMC-MWLCHTKSSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C2CCCC2)C1 160580363 344170345 /nfs/dbraw/zinc/17/03/45/344170345.db2.gz PBTZMAUKBOQAFY-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(C)(C)C)C1 160578473 344170361 /nfs/dbraw/zinc/17/03/61/344170361.db2.gz RNEOYYJZWALCDF-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccoc2)C1 160579844 344170373 /nfs/dbraw/zinc/17/03/73/344170373.db2.gz FQYFWQNXQUPMMC-GXSJLCMTSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccco2)C1 160583570 344170971 /nfs/dbraw/zinc/17/09/71/344170971.db2.gz HSJQQDNYZBZRGN-ZJUUUORDSA-N 2 1 194.278 1.449 10 0 ADAEMP c1coc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 160654441 344173309 /nfs/dbraw/zinc/17/33/09/344173309.db2.gz DBLORVKUZOLYMI-JTQLQIEISA-N 2 1 194.278 1.511 10 0 ADAEMP C[C@@]([NH3+])(C[NH3+])Cc1cccc(F)c1 162573548 344210429 /nfs/dbraw/zinc/21/04/29/344210429.db2.gz FMDFEKBAEHCAHJ-JTQLQIEISA-N 2 1 182.242 1.044 10 0 ADAEMP C[C@]([NH3+])(C[NH3+])Cc1cccc(F)c1 162573427 344210479 /nfs/dbraw/zinc/21/04/79/344210479.db2.gz FMDFEKBAEHCAHJ-SNVBAGLBSA-N 2 1 182.242 1.044 10 0 ADAEMP C[C@H]1C[C@H](C)[N@H+](C2CCC([NH3+])CC2)C1 164188959 344239468 /nfs/dbraw/zinc/23/94/68/344239468.db2.gz KQGWZTTWPWNNKQ-JYBOHDQNSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC1C[NH2+]C1 165141812 344258974 /nfs/dbraw/zinc/25/89/74/344258974.db2.gz OPXGEOSWBLSDOX-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC1C[NH2+]C1 165141928 344259047 /nfs/dbraw/zinc/25/90/47/344259047.db2.gz OPXGEOSWBLSDOX-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH+](C)C1(CNC2=[NH+]CCC2)CCC1 165220994 344260031 /nfs/dbraw/zinc/26/00/31/344260031.db2.gz YTKBKNPKSIKULI-UHFFFAOYSA-N 2 1 195.310 1.253 10 0 ADAEMP CC[C@H]1CC[C@H](C)[N@H+]1CC1C[NH2+]C1 165275531 344260880 /nfs/dbraw/zinc/26/08/80/344260880.db2.gz HUQHQJFMCPUXOW-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1C[N@@H+]1CC=CCC1 166086723 344274263 /nfs/dbraw/zinc/27/42/63/344274263.db2.gz OMQMQASFSNTPIJ-MNOVXSKESA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@@]1(C[N@@H+]2CC=CCC2)CC[NH2+]C1 166092221 344274283 /nfs/dbraw/zinc/27/42/83/344274283.db2.gz XBHQXSAIJITBJW-LLVKDONJSA-N 2 1 180.295 1.248 10 0 ADAEMP [NH3+]CC1(C[N@@H+]2CC=CCC2)CCCC1 166088530 344274296 /nfs/dbraw/zinc/27/42/96/344274296.db2.gz FPWGEUTWYDNSRM-UHFFFAOYSA-N 2 1 194.322 1.767 10 0 ADAEMP C[C@]([NH3+])(C[N@H+]1CC=CCC1)C1CC1 166091284 344274315 /nfs/dbraw/zinc/27/43/15/344274315.db2.gz FFGDSXHJFXTGGY-NSHDSACASA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@]([NH3+])(C[N@@H+]1CC=CCC1)C1CC1 166091284 344274316 /nfs/dbraw/zinc/27/43/16/344274316.db2.gz FFGDSXHJFXTGGY-NSHDSACASA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@]1(C[N@@H+]2CC=CCC2)CCC[NH2+]C1 166105639 344275086 /nfs/dbraw/zinc/27/50/86/344275086.db2.gz CUAOXABRLKDMKT-LBPRGKRZSA-N 2 1 194.322 1.638 10 0 ADAEMP Cc1ccc(NCC2(C[NH3+])CC2)[nH+]c1 166150799 344275491 /nfs/dbraw/zinc/27/54/91/344275491.db2.gz FOTKIAADUIGRPP-UHFFFAOYSA-N 2 1 191.278 1.541 10 0 ADAEMP CC1=CC[N@H+](C[C@@H]([NH3+])C(C)C)CC1 166151291 344275493 /nfs/dbraw/zinc/27/54/93/344275493.db2.gz CKWIYEBLCPSHRK-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP CC1=CC[N@@H+](C[C@@H]([NH3+])C(C)C)CC1 166151291 344275494 /nfs/dbraw/zinc/27/54/94/344275494.db2.gz CKWIYEBLCPSHRK-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP 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C[C@H]([NH3+])[C@H](C)N1CCCC[C@@H]1C 217704962 344405215 /nfs/dbraw/zinc/40/52/15/344405215.db2.gz HJCAWSCEXVFFAK-GUBZILKMSA-N 2 1 170.300 1.597 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H](C)C1 217718693 344405221 /nfs/dbraw/zinc/40/52/21/344405221.db2.gz OETNBEQQAVFWJE-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP CC1(C)C[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 218766373 344416208 /nfs/dbraw/zinc/41/62/08/344416208.db2.gz STSQPEYBLHDWGX-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC)C[C@@H](C)C[NH2+]1 219640857 344426380 /nfs/dbraw/zinc/42/63/80/344426380.db2.gz DBLOOTDCWCQFED-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 219642975 344426438 /nfs/dbraw/zinc/42/64/38/344426438.db2.gz BSMDHDBHJYCCFS-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 219779062 344428480 /nfs/dbraw/zinc/42/84/80/344428480.db2.gz XJWVCTBPKQYKTK-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP 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C[C@H]([N@H+]1CCC[C@@H](C[NH3+])C1)C1(C)CC1 227568881 344535604 /nfs/dbraw/zinc/53/56/04/344535604.db2.gz FMVWRKUTAKEYCN-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([N@H+]1CC[C@@H](C[NH3+])C1)C1(C)CC1 227568921 344535637 /nfs/dbraw/zinc/53/56/37/344535637.db2.gz HWGMETSXLYGSQM-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([N@@H+]2CCC[C@@H]2C)C1 227937863 344551133 /nfs/dbraw/zinc/55/11/33/344551133.db2.gz IJIIMZHUCBOADZ-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@]2(C)CCCC[NH2+]2)C1 227955058 344552334 /nfs/dbraw/zinc/55/23/34/344552334.db2.gz HIDOLGOYUUQCJG-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP N[C@@H]1CC[N@H+]([C@H]2CC=CCC2)C1 228118805 344557750 /nfs/dbraw/zinc/55/77/50/344557750.db2.gz QTYKJLFCAZWVEX-ZJUUUORDSA-N 2 1 166.268 1.128 10 0 ADAEMP C[C@@H]1C[NH2+]CCN(C[C@H]2C[C@H]2C)C1 228749532 344567142 /nfs/dbraw/zinc/56/71/42/344567142.db2.gz FIMBISKPRFHQLD-GMTAPVOTSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[NH2+]CCN(C[C@@H]2C[C@H]2C)C1 228749548 344567158 /nfs/dbraw/zinc/56/71/58/344567158.db2.gz FIMBISKPRFHQLD-MXWKQRLJSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@H]1C[C@@H]1CN1CC[NH2+]C[C@@H](C)C1 228749539 344567164 /nfs/dbraw/zinc/56/71/64/344567164.db2.gz FIMBISKPRFHQLD-OUAUKWLOSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)C1 228740150 344567593 /nfs/dbraw/zinc/56/75/93/344567593.db2.gz ATBMQOGADJQSJK-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1ccc[nH+]c1N[C@H](C)[C@H](C)C[NH3+] 228820770 344569292 /nfs/dbraw/zinc/56/92/92/344569292.db2.gz XHNNKCUBXPIIEZ-NXEZZACHSA-N 2 1 193.294 1.785 10 0 ADAEMP Cc1ccc[nH+]c1N[C@@H](C)[C@H](C)C[NH3+] 228820791 344569296 /nfs/dbraw/zinc/56/92/96/344569296.db2.gz XHNNKCUBXPIIEZ-ZJUUUORDSA-N 2 1 193.294 1.785 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1(C)CC1 228867719 344572116 /nfs/dbraw/zinc/57/21/16/344572116.db2.gz LBQUVDKCGPMHFU-BDAKNGLRSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1([NH2+]C[C@H]2CCCC[NH2+]2)CCC1 228878958 344572851 /nfs/dbraw/zinc/57/28/51/344572851.db2.gz BUHKZTRPCSXIFU-SNVBAGLBSA-N 2 1 182.311 1.661 10 0 ADAEMP CC1CC([N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 228979405 344578469 /nfs/dbraw/zinc/57/84/69/344578469.db2.gz PRFSPTSYEHAVCL-YIYTYNFBSA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1C=C[C@@H](C[N@@H+]2CC=CCC2)C1 229105696 344582607 /nfs/dbraw/zinc/58/26/07/344582607.db2.gz NUBHIILMCWNYRU-MNOVXSKESA-N 2 1 178.279 1.152 10 0 ADAEMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC[NH3+])C1 229368231 344593129 /nfs/dbraw/zinc/59/31/29/344593129.db2.gz BNRKBFSREWYTJW-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+][C@H]1C=C[C@H](C[N@@H+]2CC=CCC2)C1 229105681 344582564 /nfs/dbraw/zinc/58/25/64/344582564.db2.gz NUBHIILMCWNYRU-QWRGUYRKSA-N 2 1 178.279 1.152 10 0 ADAEMP CCC1([N@H+]2CC[C@H](C[NH3+])C2)CCC1 229501411 344598916 /nfs/dbraw/zinc/59/89/16/344598916.db2.gz AKUFFYMFRZLOEP-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1C[C@H]([N@H+]2CC[C@@H](C)C2)CC[NH2+]1 229543111 344602123 /nfs/dbraw/zinc/60/21/23/344602123.db2.gz BGQRFNRNYXFUIB-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@]12[NH2+]C[C@@H](C)S2 229565458 344604802 /nfs/dbraw/zinc/60/48/02/344604802.db2.gz FEYNFBJSNXWFOP-YIZRAAEISA-N 2 1 186.324 1.037 10 0 ADAEMP Cc1cc(O[C@H]2CCC[C@H]2[NH3+])cc[nH+]1 229586158 344606329 /nfs/dbraw/zinc/60/63/29/344606329.db2.gz DCJSUPWTFMLVRR-MNOVXSKESA-N 2 1 192.262 1.649 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[NH2+][C@H](C)C1 229582824 344606339 /nfs/dbraw/zinc/60/63/39/344606339.db2.gz JGUOPNOGPGDWSQ-NXEZZACHSA-N 2 1 193.294 1.759 10 0 ADAEMP Cc1cc(OC2CC([NH3+])C2)cc[nH+]1 229585492 344606343 /nfs/dbraw/zinc/60/63/43/344606343.db2.gz OOECICMNHMGKNI-UHFFFAOYSA-N 2 1 178.235 1.259 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1CC[N@@H+](C)C[C@@H]1C 229670841 344610597 /nfs/dbraw/zinc/61/05/97/344610597.db2.gz AZDPWDDJZAHAGN-VHSXEESVSA-N 2 1 197.326 1.694 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1CC 229720488 344612732 /nfs/dbraw/zinc/61/27/32/344612732.db2.gz GRMVRDBYKGVUFQ-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1C/C(=C\C[NH3+])C[N@H+]1C1CC1 229950431 344621131 /nfs/dbraw/zinc/62/11/31/344621131.db2.gz KLFDOOAQQRVWTJ-DHFUWRPHSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C1 230361975 344631987 /nfs/dbraw/zinc/63/19/87/344631987.db2.gz OSIUYEFBFYKWHG-WDEREUQCSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1C=CCCC1 230362605 344632006 /nfs/dbraw/zinc/63/20/06/344632006.db2.gz ZYXYDTYCPSJXPY-IJLUTSLNSA-N 2 1 194.322 1.764 10 0 ADAEMP CC1=CCC[N@H+]([C@@H](C)CC[NH3+])C1 230880942 344644172 /nfs/dbraw/zinc/64/41/72/344644172.db2.gz JAMLHFBBDMXCHC-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=CCC[N@H+](CC2([NH3+])CC2)C1 230841108 344644301 /nfs/dbraw/zinc/64/43/01/344644301.db2.gz RRWNFVCDVVRGBZ-UHFFFAOYSA-N 2 1 166.268 1.130 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@@H](C(C)C)C1 231001677 344647185 /nfs/dbraw/zinc/64/71/85/344647185.db2.gz NFSOMYWUULHRLE-MNOVXSKESA-N 2 1 184.327 1.750 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccno2)C1 231880848 344663334 /nfs/dbraw/zinc/66/33/34/344663334.db2.gz KZXKQGUTLSJYQX-RKDXNWHRSA-N 2 1 195.266 1.034 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](C2(C)CC2)[C@@H]1C 232089194 344671940 /nfs/dbraw/zinc/67/19/40/344671940.db2.gz ZPRQAQWZHLXHHK-IVZWLZJFSA-N 2 1 182.311 1.597 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 232467363 344678792 /nfs/dbraw/zinc/67/87/92/344678792.db2.gz UGQJIQJJKIQDMF-BXXZLRJFSA-N 2 1 182.311 1.492 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]12 232467409 344678807 /nfs/dbraw/zinc/67/88/07/344678807.db2.gz QBBYYZIZXSSZOO-NTYHVHHESA-N 2 1 180.295 1.389 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]12 232467409 344678808 /nfs/dbraw/zinc/67/88/08/344678808.db2.gz QBBYYZIZXSSZOO-NTYHVHHESA-N 2 1 180.295 1.389 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[NH2+][C@@H](C)C1 232484726 344680079 /nfs/dbraw/zinc/68/00/79/344680079.db2.gz LVBJGCOREQYBBZ-FSIBCCDJSA-N 2 1 168.284 1.246 10 0 ADAEMP C/C=C/C[N@H+]1CCC[NH2+][C@@H](C)C1 232484726 344680080 /nfs/dbraw/zinc/68/00/80/344680080.db2.gz LVBJGCOREQYBBZ-FSIBCCDJSA-N 2 1 168.284 1.246 10 0 ADAEMP CC(C)C1CC([N@@H+]2CC[C@H]([NH3+])C2)C1 232536044 344681656 /nfs/dbraw/zinc/68/16/56/344681656.db2.gz SRTOGETVVCIYDZ-YVNMAJEFSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1C1CC1 232797906 344691489 /nfs/dbraw/zinc/69/14/89/344691489.db2.gz UCWRIINXBUFASI-SCZZXKLOSA-N 2 1 180.295 1.079 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@@H]2C)C1 232864582 344695661 /nfs/dbraw/zinc/69/56/61/344695661.db2.gz CBCNWEDBTPHZJT-MUVKAJBYSA-N 2 1 194.322 1.325 10 0 ADAEMP CCC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+][C@@H](C)C1 233300434 344700050 /nfs/dbraw/zinc/70/00/50/344700050.db2.gz MLVJMQZDSTYXNL-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 233929827 344707607 /nfs/dbraw/zinc/70/76/07/344707607.db2.gz IPRQJPVFWVUSRH-ZDCRXTMVSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[NH2+][C@@H](C)CC1 233929680 344707616 /nfs/dbraw/zinc/70/76/16/344707616.db2.gz XWNRHDYCGCYYGH-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 233934751 344708068 /nfs/dbraw/zinc/70/80/68/344708068.db2.gz APMLQCNRHSNHID-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 233934751 344708069 /nfs/dbraw/zinc/70/80/69/344708069.db2.gz APMLQCNRHSNHID-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC2)[C@@H](C[NH3+])C1 234106516 344712703 /nfs/dbraw/zinc/71/27/03/344712703.db2.gz QUKHWHADSZQXSD-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H]1CC[N@@H+](C2CC2)[C@@H](C[NH3+])C1 234106516 344712705 /nfs/dbraw/zinc/71/27/05/344712705.db2.gz QUKHWHADSZQXSD-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@H]1CC=CCC1 235147473 344734467 /nfs/dbraw/zinc/73/44/67/344734467.db2.gz WQXCXLNKCQLWKL-IUCAKERBSA-N 2 1 154.257 1.032 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C1CC1 235154477 344734535 /nfs/dbraw/zinc/73/45/35/344734535.db2.gz YEOXGZQESPWYES-SCZZXKLOSA-N 2 1 168.284 1.351 10 0 ADAEMP CC(C)=CC[N@H+]1CC[NH2+]CC[C@H]1C 235297092 344741759 /nfs/dbraw/zinc/74/17/59/344741759.db2.gz GCTJTOOCMNPADE-LLVKDONJSA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[NH2+]CC[C@H]1C 235297092 344741760 /nfs/dbraw/zinc/74/17/60/344741760.db2.gz GCTJTOOCMNPADE-LLVKDONJSA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1[NH3+] 235352400 344745512 /nfs/dbraw/zinc/74/55/12/344745512.db2.gz MOGLZXNTTHABGM-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1[NH3+] 235360932 344746084 /nfs/dbraw/zinc/74/60/84/344746084.db2.gz ANUIIYMVUBAMCJ-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1C1(C[NH3+])CC1 235404206 344748560 /nfs/dbraw/zinc/74/85/60/344748560.db2.gz STSMMRSERILHMG-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+](CC2(C)CC2)[C@@H]1C 235447775 344750050 /nfs/dbraw/zinc/75/00/50/344750050.db2.gz LHEUWESPXONTDB-AXFHLTTASA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+](CC2(C)CC2)[C@@H]1C 235469390 344750985 /nfs/dbraw/zinc/75/09/85/344750985.db2.gz LHEUWESPXONTDB-HBNTYKKESA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)=CC[N@H+]1CCC[NH2+][C@@H](C)C1 235579948 344757057 /nfs/dbraw/zinc/75/70/57/344757057.db2.gz UBNKOXMKKJSXNU-NSHDSACASA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[N@@H+](C)C1CCC1 235588260 344757945 /nfs/dbraw/zinc/75/79/45/344757945.db2.gz PNCVDVWKHWPWMQ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1[NH3+] 235669094 344762375 /nfs/dbraw/zinc/76/23/75/344762375.db2.gz XJYRTBKXYDPYQL-WPRPVWTQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[C@H](c2[nH+]ccn2C)CC[NH2+]1 235665399 344762468 /nfs/dbraw/zinc/76/24/68/344762468.db2.gz WCEQRCXDBGFJCZ-DTWKUNHWSA-N 2 1 179.267 1.276 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@H+](C2(C[NH3+])CC2)C1 235702103 344763889 /nfs/dbraw/zinc/76/38/89/344763889.db2.gz STSMMRSERILHMG-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+]CC1([N@@H+]2C[C@H]3CCC[C@H]3C2)CC1 236174698 344776279 /nfs/dbraw/zinc/77/62/79/344776279.db2.gz ACEZVRJBOXPPGM-AOOOYVTPSA-N 2 1 180.295 1.210 10 0 ADAEMP CC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238284573 344799101 /nfs/dbraw/zinc/79/91/01/344799101.db2.gz HJGFNWDZIATXJF-MXWKQRLJSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238284573 344799103 /nfs/dbraw/zinc/79/91/03/344799103.db2.gz HJGFNWDZIATXJF-MXWKQRLJSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]([C@H]1CCCC[NH2+]1)[NH+]1CCCC1 238425156 344806193 /nfs/dbraw/zinc/80/61/93/344806193.db2.gz JRARACLKJKEGAR-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]([C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 238430631 344806533 /nfs/dbraw/zinc/80/65/33/344806533.db2.gz JRARACLKJKEGAR-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP NCC[N@H+]1CCC2(CCCC2)C1 238583563 344814336 /nfs/dbraw/zinc/81/43/36/344814336.db2.gz GFYSYHGMKFBZIP-UHFFFAOYSA-N 2 1 168.284 1.211 10 0 ADAEMP [NH3+]CC[N@H+]1CCC2(CCCC2)C1 238583563 344814338 /nfs/dbraw/zinc/81/43/38/344814338.db2.gz GFYSYHGMKFBZIP-UHFFFAOYSA-N 2 1 168.284 1.211 10 0 ADAEMP CC[N@H+](C)[C@@]1(C[NH3+])CS[C@H](C)C1 249884145 344827907 /nfs/dbraw/zinc/82/79/07/344827907.db2.gz BNXPUASRBBRSDE-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CCC[N@H+]1C[C@H](C2CC2)NCC[C@H]1C 249976468 344828397 /nfs/dbraw/zinc/82/83/97/344828397.db2.gz LMPCKCYSLZMYBA-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 249901585 344828723 /nfs/dbraw/zinc/82/87/23/344828723.db2.gz WMVAMALNRUJYQB-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1C[C@@H](C2CC2)NCC[C@H]1C 249976466 344828817 /nfs/dbraw/zinc/82/88/17/344828817.db2.gz LMPCKCYSLZMYBA-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCCC[C@H]1[NH3+] 250103808 344830002 /nfs/dbraw/zinc/83/00/02/344830002.db2.gz ZXIJBRDSYKKKNK-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC[C@H]1[NH3+] 250080208 344830019 /nfs/dbraw/zinc/83/00/19/344830019.db2.gz UGAVWULJOSYEJJ-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCC[C@H]1[NH3+] 250080215 344830028 /nfs/dbraw/zinc/83/00/28/344830028.db2.gz UGAVWULJOSYEJJ-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@H]1C[NH3+] 250083696 344830036 /nfs/dbraw/zinc/83/00/36/344830036.db2.gz VBBOXWWWMNSAHV-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCC[C@H]1[NH3+] 250103810 344830043 /nfs/dbraw/zinc/83/00/43/344830043.db2.gz ZXIJBRDSYKKKNK-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1C[C@H](C)[NH3+] 250267481 344831666 /nfs/dbraw/zinc/83/16/66/344831666.db2.gz KQXSARUBYWMAPH-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 250262579 344831707 /nfs/dbraw/zinc/83/17/07/344831707.db2.gz JZFHWDHUHGGENU-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 250262581 344831716 /nfs/dbraw/zinc/83/17/16/344831716.db2.gz JZFHWDHUHGGENU-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1[NH3+] 250487763 344834583 /nfs/dbraw/zinc/83/45/83/344834583.db2.gz XGCJIPJHQAHZOX-MNOVXSKESA-N 2 1 182.311 1.741 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@H]1[NH3+])C1CC1 250492863 344834602 /nfs/dbraw/zinc/83/46/02/344834602.db2.gz YLFRQRZEKCFGNL-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@H]1[NH3+])C1CC1 250492865 344834605 /nfs/dbraw/zinc/83/46/05/344834605.db2.gz YLFRQRZEKCFGNL-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1[NH3+] 250487762 344834643 /nfs/dbraw/zinc/83/46/43/344834643.db2.gz XGCJIPJHQAHZOX-GHMZBOCLSA-N 2 1 182.311 1.741 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 250480940 344834653 /nfs/dbraw/zinc/83/46/53/344834653.db2.gz CGGIZYBXBWCPQE-VHSXEESVSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H]2CC[NH2+]C2)C1 250483753 344834660 /nfs/dbraw/zinc/83/46/60/344834660.db2.gz DEXPAGMIXSUJCX-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1[NH3+] 250352414 344832351 /nfs/dbraw/zinc/83/23/51/344832351.db2.gz AVRXTXXXPHJLHM-ZJUUUORDSA-N 2 1 168.284 1.351 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1C[C@H]1[C@H](C)[NH3+] 250355718 344832362 /nfs/dbraw/zinc/83/23/62/344832362.db2.gz ZGRSFJAIZIIDCI-XHNCKOQMSA-N 2 1 179.267 1.354 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCCC[C@H]1C[NH3+] 250361294 344832364 /nfs/dbraw/zinc/83/23/64/344832364.db2.gz DRCXNAONTCWKSF-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCCC[C@H]1[NH3+])C1CC1 250368508 344832865 /nfs/dbraw/zinc/83/28/65/344832865.db2.gz GPUVRPVHPAWLRE-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@H]1C[NH3+] 250378912 344833434 /nfs/dbraw/zinc/83/34/34/344833434.db2.gz IUZNJUSOBCVBJT-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@@H]1CCCC[C@H]1N 250376827 344833463 /nfs/dbraw/zinc/83/34/63/344833463.db2.gz IMDXEKJUSWULOF-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP CN(CC1CCC1)[C@@H]1CCCC[C@H]1[NH3+] 250376827 344833464 /nfs/dbraw/zinc/83/34/64/344833464.db2.gz IMDXEKJUSWULOF-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+](C1CCCC1)[C@@H]1CC[C@H]1C[NH3+] 250407431 344833471 /nfs/dbraw/zinc/83/34/71/344833471.db2.gz NGJJRQNTYFQUBE-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP CN(CC1CC1)[C@H]1CCCC[C@H]1[NH3+] 250423732 344833861 /nfs/dbraw/zinc/83/38/61/344833861.db2.gz PTKVJERZEHABLS-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+](C1CCCCC1)[C@@H]1CC[C@H]1C[NH3+] 250418512 344833941 /nfs/dbraw/zinc/83/39/41/344833941.db2.gz OWJQITUVEYOAHD-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CCCC[C@H]1N 250423729 344833946 /nfs/dbraw/zinc/83/39/46/344833946.db2.gz PTKVJERZEHABLS-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CN(CC1CC1)[C@@H]1CCCC[C@H]1[NH3+] 250423729 344833947 /nfs/dbraw/zinc/83/39/47/344833947.db2.gz PTKVJERZEHABLS-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+](C1CCCCC1)[C@H]1CC[C@H]1C[NH3+] 250418515 344833979 /nfs/dbraw/zinc/83/39/79/344833979.db2.gz OWJQITUVEYOAHD-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 250532891 344835965 /nfs/dbraw/zinc/83/59/65/344835965.db2.gz XRZOARASXXZSEJ-VXGBXAGGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H]([NH3+])C1CCC1 250580284 344836569 /nfs/dbraw/zinc/83/65/69/344836569.db2.gz FYESJIOKTHTGNO-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@@H]([NH3+])C1CCC1 250580288 344836578 /nfs/dbraw/zinc/83/65/78/344836578.db2.gz FYESJIOKTHTGNO-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccco1 250566225 344836583 /nfs/dbraw/zinc/83/65/83/344836583.db2.gz DGWQVDLXYVSFCG-SCZZXKLOSA-N 2 1 180.251 1.231 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 250544713 344836586 /nfs/dbraw/zinc/83/65/86/344836586.db2.gz DFULEXPIQPFMLU-WDEREUQCSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 250577590 344836606 /nfs/dbraw/zinc/83/66/06/344836606.db2.gz FOLUXDLUCAXXDV-NKWVEPMBSA-N 2 1 196.216 1.075 10 0 ADAEMP C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 250577590 344836607 /nfs/dbraw/zinc/83/66/07/344836607.db2.gz FOLUXDLUCAXXDV-NKWVEPMBSA-N 2 1 196.216 1.075 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])C1CCCC1 250574153 344836609 /nfs/dbraw/zinc/83/66/09/344836609.db2.gz FFZREMAYOZHTEC-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccncc1 250648458 344838369 /nfs/dbraw/zinc/83/83/69/344838369.db2.gz WBVIUVSHYDUTHK-WDEREUQCSA-N 2 1 191.278 1.033 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 250656507 344838946 /nfs/dbraw/zinc/83/89/46/344838946.db2.gz OCBBZIATXMGLBY-UKKRHICBSA-N 2 1 180.295 1.066 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccco1 250712007 344840104 /nfs/dbraw/zinc/84/01/04/344840104.db2.gz GFUXMJBJTCLNTQ-MWLCHTKSSA-N 2 1 194.278 1.492 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@@H]2CCC[C@H]2[NH3+])C1 250787379 344841089 /nfs/dbraw/zinc/84/10/89/344841089.db2.gz GUEXCTBRJBAYBV-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 250815110 344841987 /nfs/dbraw/zinc/84/19/87/344841987.db2.gz FBERRMGUUFIJGQ-KXUCPTDWSA-N 2 1 168.284 1.256 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([C@@H]3CC[NH2+]C3)[C@H]2C1 250873189 344842934 /nfs/dbraw/zinc/84/29/34/344842934.db2.gz SUWBHDMWRGLQDM-IJLUTSLNSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([C@H]3CC[NH2+]C3)[C@H]2C1 250873192 344842984 /nfs/dbraw/zinc/84/29/84/344842984.db2.gz SUWBHDMWRGLQDM-QJPTWQEYSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]1C 251050542 344845292 /nfs/dbraw/zinc/84/52/92/344845292.db2.gz FZLOVXQQBLYGIC-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@](C)([NH3+])CN1CCCC[C@H]1C 251207913 344849593 /nfs/dbraw/zinc/84/95/93/344849593.db2.gz CXPSRUHPOPTTJW-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 251268519 344850904 /nfs/dbraw/zinc/85/09/04/344850904.db2.gz DTCUVDJKPYFCKU-WHOHXGKFSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@H]1C 251259284 344850910 /nfs/dbraw/zinc/85/09/10/344850910.db2.gz XXRYPWZLPPLTTM-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCCCC[C@H]1C 251259284 344850911 /nfs/dbraw/zinc/85/09/11/344850911.db2.gz XXRYPWZLPPLTTM-NXEZZACHSA-N 2 1 197.326 1.965 10 0 ADAEMP C1C[C@@H]2[C@H]([C@H]3CC[NH2+]C3)CC[N@H+]2C1 251272005 344850944 /nfs/dbraw/zinc/85/09/44/344850944.db2.gz LZOSQUMHBKKPFM-GARJFASQSA-N 2 1 180.295 1.080 10 0 ADAEMP CCC(=[NH2+])N1C[C@@H]2CCC[N@H+]2C[C@H]1C 251263736 344850946 /nfs/dbraw/zinc/85/09/46/344850946.db2.gz YUNVTLFSYJFTJR-ZJUUUORDSA-N 2 1 195.310 1.542 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 251268514 344850949 /nfs/dbraw/zinc/85/09/49/344850949.db2.gz DTCUVDJKPYFCKU-USZNOCQGSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 251268510 344850954 /nfs/dbraw/zinc/85/09/54/344850954.db2.gz DTCUVDJKPYFCKU-BJDJZHNGSA-N 2 1 196.338 1.715 10 0 ADAEMP C1C[C@@H]2[C@@H]([C@H]3CC[NH2+]C3)CC[N@H+]2C1 251272009 344850956 /nfs/dbraw/zinc/85/09/56/344850956.db2.gz LZOSQUMHBKKPFM-HBNTYKKESA-N 2 1 180.295 1.080 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@H]1C 251259286 344850963 /nfs/dbraw/zinc/85/09/63/344850963.db2.gz XXRYPWZLPPLTTM-ZJUUUORDSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 251296753 344851499 /nfs/dbraw/zinc/85/14/99/344851499.db2.gz SNJNRLIZUFHXDJ-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP C1C[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C3)[C@@H]2C1 251290616 344851518 /nfs/dbraw/zinc/85/15/18/344851518.db2.gz NQJDAYLQFBXOPA-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+]C3)[C@@H]2C1 251290616 344851519 /nfs/dbraw/zinc/85/15/19/344851519.db2.gz NQJDAYLQFBXOPA-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]2[C@H](C1)CCC[N@@H+]2[C@H]1CC[NH2+]C1 251290623 344851527 /nfs/dbraw/zinc/85/15/27/344851527.db2.gz NQJDAYLQFBXOPA-WOPDTQHZSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]2[C@H](C1)CCC[N@H+]2[C@H]1CC[NH2+]C1 251290623 344851528 /nfs/dbraw/zinc/85/15/28/344851528.db2.gz NQJDAYLQFBXOPA-WOPDTQHZSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]([C@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 251464446 344854577 /nfs/dbraw/zinc/85/45/77/344854577.db2.gz VCWKDLZGBNADFV-UWVGGRQHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]([N@H+]2CC[C@H](C)C2)C1 251525062 344855678 /nfs/dbraw/zinc/85/56/78/344855678.db2.gz AISCZRIFOXUADW-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)[C@H]1C 251536448 344856604 /nfs/dbraw/zinc/85/66/04/344856604.db2.gz HESYZLMQACZGHL-USZNOCQGSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CCN(C2CCCCC2)C[C@H]1[NH3+] 251607990 344860484 /nfs/dbraw/zinc/86/04/84/344860484.db2.gz GRQRNRVVGBIMJR-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 251659205 344864417 /nfs/dbraw/zinc/86/44/17/344864417.db2.gz BQJWSBNSXSJIAE-VLEAKVRGSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCCCC[C@H]1[NH3+] 251730710 344869462 /nfs/dbraw/zinc/86/94/62/344869462.db2.gz QLUQUSUUMWHNOV-MXWKQRLJSA-N 2 1 182.311 1.741 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@H]([NH3+])C2)C1 251750925 344870862 /nfs/dbraw/zinc/87/08/62/344870862.db2.gz LJFHHPIFFJBOBU-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC[C@@H](C)C1 251794010 344873927 /nfs/dbraw/zinc/87/39/27/344873927.db2.gz XHLQFFYAZLVRJW-GMTAPVOTSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@@H]1C[N@H+]([C@H]2C[C@@H]2C)CCC[NH2+]1 251805791 344874510 /nfs/dbraw/zinc/87/45/10/344874510.db2.gz OIDFWMVJWUVDBM-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CC2(C)C)CCC[NH2+]1 251804736 344874898 /nfs/dbraw/zinc/87/48/98/344874898.db2.gz YGDHXJHDKQYJPL-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[N@H+](Cc2ccoc2)CC[C@H]1[NH3+] 251852893 344876558 /nfs/dbraw/zinc/87/65/58/344876558.db2.gz RPXGKSOXAFOGAW-MWLCHTKSSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@H]1[NH3+] 251852893 344876559 /nfs/dbraw/zinc/87/65/59/344876559.db2.gz RPXGKSOXAFOGAW-MWLCHTKSSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]([NH2+]C)[C@H](C)C1 251861669 344877477 /nfs/dbraw/zinc/87/74/77/344877477.db2.gz OMQUEIYVGGIWGW-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251464760 344854583 /nfs/dbraw/zinc/85/45/83/344854583.db2.gz ZKLNDTPQHZUMOW-RYUDHWBXSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251464756 344854585 /nfs/dbraw/zinc/85/45/85/344854585.db2.gz ZKLNDTPQHZUMOW-NWDGAFQWSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]1C[NH3+] 251463868 344854593 /nfs/dbraw/zinc/85/45/93/344854593.db2.gz ZISIQOGUHNKFCT-SRVKXCTJSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]1C[NH3+] 252087900 344883962 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/nfs/dbraw/zinc/17/97/85/345179785.db2.gz KKYNXRGIDDZXOS-GMTAPVOTSA-N 2 1 184.327 1.713 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H]([NH3+])[C@H]1C 306358667 345229244 /nfs/dbraw/zinc/22/92/44/345229244.db2.gz BFSURABQBDDEDV-IMSYWVGJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1[C@H](C)[C@@H]1CC[NH2+]C1 306396327 345258258 /nfs/dbraw/zinc/25/82/58/345258258.db2.gz RSGFQLARKDNJFK-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1[C@H](C)[C@H]1CC[NH2+]C1 306396329 345258291 /nfs/dbraw/zinc/25/82/91/345258291.db2.gz RSGFQLARKDNJFK-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 306423738 345280522 /nfs/dbraw/zinc/28/05/22/345280522.db2.gz ICPDKSJZEQRVHA-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[C@]1(C[N@@H+]2CC[C@@H]2C)CCC[NH2+]1 306455270 345315023 /nfs/dbraw/zinc/31/50/23/345315023.db2.gz NTWQVZNTQWPUBS-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@]1(C[N@H+]2CC[C@@H]2C)CCC[NH2+]1 306455270 345315024 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/nfs/dbraw/zinc/40/52/59/345405259.db2.gz CHSPWJFUTREWGI-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CCC[C@@H]([NH3+])C1 306538307 345412265 /nfs/dbraw/zinc/41/22/65/345412265.db2.gz JPNKCWODYINGBV-KOLCDFICSA-N 2 1 193.294 1.888 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[C@H]1CC[NH2+]C1 306553736 345428927 /nfs/dbraw/zinc/42/89/27/345428927.db2.gz GSPXMBVYYOJUJD-OUAUKWLOSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[C@@H]1CC[NH2+]C1 306553734 345428933 /nfs/dbraw/zinc/42/89/33/345428933.db2.gz GSPXMBVYYOJUJD-GMTAPVOTSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 306559594 345435861 /nfs/dbraw/zinc/43/58/61/345435861.db2.gz QROOZTDJGLFCHJ-AATLWQCWSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2=CCCC2)C1 306561502 345437727 /nfs/dbraw/zinc/43/77/27/345437727.db2.gz BXGDONSLHICOAG-CMPLNLGQSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2=CCCC2)C1 306561503 345437733 /nfs/dbraw/zinc/43/77/33/345437733.db2.gz BXGDONSLHICOAG-JQWIXIFHSA-N 2 1 194.322 1.766 10 0 ADAEMP CC(C)C(C)(C)[NH2+][C@H]1CCC[NH2+]C1 306561704 345437743 /nfs/dbraw/zinc/43/77/43/345437743.db2.gz NOKNBQQPDYDGRN-JTQLQIEISA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)C(C)(C)C 306568478 345445400 /nfs/dbraw/zinc/44/54/00/345445400.db2.gz UVHJGUYXOGZKEQ-LURJTMIESA-N 2 1 157.261 1.041 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)C(C)(C)C 306568478 345445401 /nfs/dbraw/zinc/44/54/01/345445401.db2.gz UVHJGUYXOGZKEQ-LURJTMIESA-N 2 1 157.261 1.041 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCS[C@H](C)CC1 306568371 345445497 /nfs/dbraw/zinc/44/54/97/345445497.db2.gz URXXRVDFBGFBRV-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCS[C@H](C)CC1 306568371 345445498 /nfs/dbraw/zinc/44/54/98/345445498.db2.gz URXXRVDFBGFBRV-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[NH2+]C1(C[N@H+]2CC=CCC2)CCCC1 306562997 345438451 /nfs/dbraw/zinc/43/84/51/345438451.db2.gz PBRXREMHEWJGKA-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP [NH3+]C1(C[N@H+]2CCC3(CCC3)C2)CC1 306562888 345438773 /nfs/dbraw/zinc/43/87/73/345438773.db2.gz UZWYQWMNOLEVOE-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCC2(CCC2)C1 306563607 345439562 /nfs/dbraw/zinc/43/95/62/345439562.db2.gz VRAHKKBXCHHDOH-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[NH2+][C@@H]1C 306564722 345440610 /nfs/dbraw/zinc/44/06/10/345440610.db2.gz XFHNKWJVSKIVNT-WYUUTHIRSA-N 2 1 196.338 1.715 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306578164 345455357 /nfs/dbraw/zinc/45/53/57/345455357.db2.gz LWKXPXFHUPQJTE-LMLFDSFASA-N 2 1 180.295 1.127 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+](CC2=CCCC2)C1 306580982 345458253 /nfs/dbraw/zinc/45/82/53/345458253.db2.gz OGYYBBQBPLQHNM-JQWIXIFHSA-N 2 1 194.322 1.766 10 0 ADAEMP CC[C@]1(C)C[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 306583493 345460505 /nfs/dbraw/zinc/46/05/05/345460505.db2.gz RBCYGEKSPZXHTD-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1(C)C[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 306583492 345460627 /nfs/dbraw/zinc/46/06/27/345460627.db2.gz RBCYGEKSPZXHTD-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306590026 345467578 /nfs/dbraw/zinc/46/75/78/345467578.db2.gz PCCGBABPXXCHRH-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1CC([N@H+]2CCCC[C@@H](C[NH3+])C2)C1 306611443 345485493 /nfs/dbraw/zinc/48/54/93/345485493.db2.gz GFMUXTQJHCBHRT-CXQJBGSLSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C2CC=CC2)C[NH2+]1 306628245 345499202 /nfs/dbraw/zinc/49/92/02/345499202.db2.gz BOVQVJQPNPZBCX-KOLCDFICSA-N 2 1 180.295 1.435 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C 306633648 345502537 /nfs/dbraw/zinc/50/25/37/345502537.db2.gz SFYGALGMGCWJHX-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1C[N@H+]([C@H](C)C(N)=[NH2+])C(C)(C)C1 306647829 345516100 /nfs/dbraw/zinc/51/61/00/345516100.db2.gz DIHIOONNJQMQGL-HTQZYQBOSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H](C)C(N)=[NH2+])C(C)(C)C1 306647836 345516104 /nfs/dbraw/zinc/51/61/04/345516104.db2.gz DIHIOONNJQMQGL-YUMQZZPRSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H]1CC[C@@H]([N@@H+](C)C2CC([NH3+])C2)C1 306647906 345516118 /nfs/dbraw/zinc/51/61/18/345516118.db2.gz DJTITNWBNOQCBY-QPBDYMMBSA-N 2 1 182.311 1.597 10 0 ADAEMP NC(=[NH2+])C[N@H+]1C[C@H]2CCCC[C@H]2C1 306681297 345542968 /nfs/dbraw/zinc/54/29/68/345542968.db2.gz NRDRUZOALVIFBE-DTORHVGOSA-N 2 1 181.283 1.044 10 0 ADAEMP C[C@H]1C[C@@H]([NH+]2C3CCC2CC3)C[NH2+]1 306697102 345553342 /nfs/dbraw/zinc/55/33/42/345553342.db2.gz YSSQOWAYXJFPJJ-IDWGSYCQSA-N 2 1 180.295 1.364 10 0 ADAEMP C[N@@H+]1C[C@@H]2[C@@H](C[NH+]3CCCC[C@H]23)C1 306707040 345560788 /nfs/dbraw/zinc/56/07/88/345560788.db2.gz MFPKFJPJZULVHI-GMTAPVOTSA-N 2 1 180.295 1.032 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306723854 345573760 /nfs/dbraw/zinc/57/37/60/345573760.db2.gz HPEIOLIKONUSDD-TUAOUCFPSA-N 2 1 194.322 1.622 10 0 ADAEMP C[C@H]1C[N@H+](C2CC(C)(C)C2)C[C@H]1[NH3+] 306765937 345600448 /nfs/dbraw/zinc/60/04/48/345600448.db2.gz AHCPQYFPUMJZIO-WCBMZHEXSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 306812233 345630924 /nfs/dbraw/zinc/63/09/24/345630924.db2.gz YSRSBEHDMYMWJC-OOCWMUITSA-N 2 1 194.322 1.597 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 306812235 345630961 /nfs/dbraw/zinc/63/09/61/345630961.db2.gz YSRSBEHDMYMWJC-ROHXPCBUSA-N 2 1 194.322 1.597 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 306812232 345630990 /nfs/dbraw/zinc/63/09/90/345630990.db2.gz YSRSBEHDMYMWJC-CSYMLDBXSA-N 2 1 194.322 1.597 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCC[C@H]21 306788005 345614920 /nfs/dbraw/zinc/61/49/20/345614920.db2.gz NQQXIOCVQGZARB-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCC[C@H]21 306788005 345614921 /nfs/dbraw/zinc/61/49/21/345614921.db2.gz NQQXIOCVQGZARB-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCC[C@@H]21 306788008 345614930 /nfs/dbraw/zinc/61/49/30/345614930.db2.gz NQQXIOCVQGZARB-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCC[C@@H]21 306788008 345614931 /nfs/dbraw/zinc/61/49/31/345614931.db2.gz NQQXIOCVQGZARB-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@H]2CC23CCCCC3)C1 306830336 345643985 /nfs/dbraw/zinc/64/39/85/345643985.db2.gz LCDVJWZJVJZROU-MNOVXSKESA-N 2 1 194.322 1.742 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CC[C@H](C[NH3+])C1 306833013 345645788 /nfs/dbraw/zinc/64/57/88/345645788.db2.gz PEZKZLDLOCZLOD-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CC[C@@H](C[NH3+])C1 306833010 345645866 /nfs/dbraw/zinc/64/58/66/345645866.db2.gz PEZKZLDLOCZLOD-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 306833012 345645873 /nfs/dbraw/zinc/64/58/73/345645873.db2.gz PEZKZLDLOCZLOD-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH+]2C3CCC2CC3)C1 306864469 345666856 /nfs/dbraw/zinc/66/68/56/345666856.db2.gz KLFAHEVYICWAGC-ILDUYXDCSA-N 2 1 180.295 1.365 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)([C@H]2CC[NH2+]C2)S1 306912986 345695956 /nfs/dbraw/zinc/69/59/56/345695956.db2.gz SMWZVRLVAIUYKH-VGMNWLOBSA-N 2 1 186.324 1.037 10 0 ADAEMP C[C@@H]1C[NH2+][C@](C)([C@@H]2CC[NH2+]C2)S1 306912983 345695985 /nfs/dbraw/zinc/69/59/85/345695985.db2.gz SMWZVRLVAIUYKH-HLTSFMKQSA-N 2 1 186.324 1.037 10 0 ADAEMP CC[C@]1(C)CC[N@H+](CC[NH3+])C1 306963811 345722395 /nfs/dbraw/zinc/72/23/95/345722395.db2.gz LVVSVTBQUDFYHJ-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CC[C@]1(C)CC[N@@H+](CC[NH3+])C1 306963811 345722397 /nfs/dbraw/zinc/72/23/97/345722397.db2.gz LVVSVTBQUDFYHJ-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP [NH3+]C[C@H]1CC[C@@H]1[N@H+]1CCC2(CC2)C1 306963880 345722430 /nfs/dbraw/zinc/72/24/30/345722430.db2.gz CYYSGPQUTCDQND-ZJUUUORDSA-N 2 1 180.295 1.210 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1C[C@@H]([NH3+])C1(C)C 307020114 345758001 /nfs/dbraw/zinc/75/80/01/345758001.db2.gz WBMYGACKJLWEHX-RKDXNWHRSA-N 2 1 179.267 1.490 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307033389 345767888 /nfs/dbraw/zinc/76/78/88/345767888.db2.gz SPNWITLVKHKSOX-IEBDPFPHSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H]1C 307058436 345784410 /nfs/dbraw/zinc/78/44/10/345784410.db2.gz GESRSPLOXAUJLC-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP CC1(Nc2cc[nH+]cc2Cl)C[NH2+]C1 307123799 345822660 /nfs/dbraw/zinc/82/26/60/345822660.db2.gz POIDPFNEBPFZPB-UHFFFAOYSA-N 2 1 197.669 1.509 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCC2(CCC2)C1 307088692 345803644 /nfs/dbraw/zinc/80/36/44/345803644.db2.gz UDNWPXADNRMOKE-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCC2(CCC2)C1 307088692 345803645 /nfs/dbraw/zinc/80/36/45/345803645.db2.gz UDNWPXADNRMOKE-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307104414 345811708 /nfs/dbraw/zinc/81/17/08/345811708.db2.gz BGOCIVPFZMTKAC-ZACCUICWSA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H](C)C(N)=[NH2+])[C@@H]1C 307163199 345854860 /nfs/dbraw/zinc/85/48/60/345854860.db2.gz YZZMDJDEUAOQBL-BWZBUEFSSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@@H]1C[N@@H+](CCN)[C@@H]2CCCC[C@H]12 307184686 345873020 /nfs/dbraw/zinc/87/30/20/345873020.db2.gz QSCSIVFWOAOONB-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](CC[NH3+])[C@@H]2CCCC[C@H]12 307184686 345873021 /nfs/dbraw/zinc/87/30/21/345873021.db2.gz QSCSIVFWOAOONB-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[NH3+])[C@@H]2CCCC[C@H]12 307184686 345873022 /nfs/dbraw/zinc/87/30/22/345873022.db2.gz QSCSIVFWOAOONB-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](CCN)[C@@H]2CCCC[C@@H]12 307184696 345873097 /nfs/dbraw/zinc/87/30/97/345873097.db2.gz QSCSIVFWOAOONB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](CC[NH3+])[C@@H]2CCCC[C@@H]12 307184696 345873098 /nfs/dbraw/zinc/87/30/98/345873098.db2.gz QSCSIVFWOAOONB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[NH3+])[C@@H]2CCCC[C@@H]12 307184696 345873099 /nfs/dbraw/zinc/87/30/99/345873099.db2.gz QSCSIVFWOAOONB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1=CC[N@H+](CC2(C)C[NH2+]C2)CC1 307227743 345905213 /nfs/dbraw/zinc/90/52/13/345905213.db2.gz FQRFHLLCTNSATI-UHFFFAOYSA-N 2 1 180.295 1.248 10 0 ADAEMP C1CC([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 307229096 345905951 /nfs/dbraw/zinc/90/59/51/345905951.db2.gz ZFDNJNJXDPKXDR-LLVKDONJSA-N 2 1 180.295 1.224 10 0 ADAEMP CCC1([N@H+]2CCCNCC2)CC1 307232847 345909901 /nfs/dbraw/zinc/90/99/01/345909901.db2.gz LTLIAHWYMOZMOX-UHFFFAOYSA-N 2 1 168.284 1.224 10 0 ADAEMP CCC1(N2CCC[NH2+]CC2)CC1 307232847 345909902 /nfs/dbraw/zinc/90/99/02/345909902.db2.gz LTLIAHWYMOZMOX-UHFFFAOYSA-N 2 1 168.284 1.224 10 0 ADAEMP C[C@H]1CC[C@@H]1N1CCC[C@@H]([NH3+])[C@H]1C 307218772 345899105 /nfs/dbraw/zinc/89/91/05/345899105.db2.gz NPFZJQDDVVAPJY-ZDCRXTMVSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)(C[N@@H+]1CC[C@H]([NH3+])C1)C1CCC1 307245584 345919283 /nfs/dbraw/zinc/91/92/83/345919283.db2.gz MJQQQWMUWULYSD-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)(C[N@H+]1CC[C@H]([NH3+])C1)C1CCC1 307245584 345919284 /nfs/dbraw/zinc/91/92/84/345919284.db2.gz MJQQQWMUWULYSD-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H](c1ccco1)[N@@H+](C)C1CC([NH3+])C1 307248921 345920817 /nfs/dbraw/zinc/92/08/17/345920817.db2.gz NSYABHBVHQLIJC-IDKOKCKLSA-N 2 1 194.278 1.762 10 0 ADAEMP C[C@@H]1CSCC[N@H+]([C@H](C)C[NH3+])C1 307249432 345921474 /nfs/dbraw/zinc/92/14/74/345921474.db2.gz JLEHJLBGRNFWPT-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@@H]1CSCC[N@H+]([C@@H](C)C[NH3+])C1 307249433 345921603 /nfs/dbraw/zinc/92/16/03/345921603.db2.gz JLEHJLBGRNFWPT-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP C[NH+](C)C1(C[NH3+])CC(C)(C)C1 307255118 345926878 /nfs/dbraw/zinc/92/68/78/345926878.db2.gz AHBAPPBGWFVNIZ-UHFFFAOYSA-N 2 1 156.273 1.066 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC3(CC3)C2)C1 307258375 345929698 /nfs/dbraw/zinc/92/96/98/345929698.db2.gz JLCBVEWANODUKH-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@@H]1C 307343399 345983909 /nfs/dbraw/zinc/98/39/09/345983909.db2.gz XBQXVUASXREAJS-SZDPGLJBSA-N 2 1 182.311 1.620 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)n1c[nH+]cc1C1CC1 307351940 345988675 /nfs/dbraw/zinc/98/86/75/345988675.db2.gz DEHJUMDNKHIRPL-YUMQZZPRSA-N 2 1 179.267 1.669 10 0 ADAEMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CC[C@H]1C 307351932 345988825 /nfs/dbraw/zinc/98/88/25/345988825.db2.gz LFRMQIWVVXHCCB-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 307351931 345988836 /nfs/dbraw/zinc/98/88/36/345988836.db2.gz LFRMQIWVVXHCCB-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CCC1(C)C 307352187 345988848 /nfs/dbraw/zinc/98/88/48/345988848.db2.gz BVVHZOAYGIMANB-UHFFFAOYSA-N 2 1 156.273 1.208 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C 307395761 346015402 /nfs/dbraw/zinc/01/54/02/346015402.db2.gz NXIFFHIZJOMVCA-FCVPOFOPSA-N 2 1 168.284 1.374 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCF)C[C@@H]21 307435828 346039231 /nfs/dbraw/zinc/03/92/31/346039231.db2.gz SIJCBOHBJACVCE-KXUCPTDWSA-N 2 1 186.274 1.015 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1C[NH2+]CC[C@@H]1C 307482583 346067369 /nfs/dbraw/zinc/06/73/69/346067369.db2.gz YZLWVEUWCFOLIC-WPRPVWTQSA-N 2 1 179.267 1.362 10 0 ADAEMP CC1(C)CC([N@@H+]2CC[C@H]([NH3+])C2)C1 307490854 346071891 /nfs/dbraw/zinc/07/18/91/346071891.db2.gz AQCFELIWHBKLMG-QMMMGPOBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307507015 346080403 /nfs/dbraw/zinc/08/04/03/346080403.db2.gz RVLFWYDNGWQXTG-ASMZKLSYSA-N 2 1 180.295 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307536113 346098107 /nfs/dbraw/zinc/09/81/07/346098107.db2.gz 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/nfs/dbraw/zinc/17/93/73/346179373.db2.gz PDQFDMUWYVNTKB-ZNRGBCAMSA-N 2 1 180.295 1.104 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307746511 346216611 /nfs/dbraw/zinc/21/66/11/346216611.db2.gz VQKLPVMXCBRUDS-WUNPDAOYSA-N 2 1 180.295 1.246 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@H]2CCC[C@H]21 307709418 346196666 /nfs/dbraw/zinc/19/66/66/346196666.db2.gz MEECVYWKEAIPES-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C/C=C\C[NH2+]C1CC[NH+](C)CC1 307953810 346240737 /nfs/dbraw/zinc/24/07/37/346240737.db2.gz YKKSTPLMWDNOBN-ARJAWSKDSA-N 2 1 168.284 1.246 10 0 ADAEMP [NH3+]CCC[N@H+]1CC[C@H](C(F)(F)F)C1 308201928 346269196 /nfs/dbraw/zinc/26/91/96/346269196.db2.gz VTAKZXOZTQQOLN-ZETCQYMHSA-N 2 1 196.216 1.219 10 0 ADAEMP [NH3+]C/C=C\C[N@H+]1CCC2(CCCC2)C1 308560390 346311941 /nfs/dbraw/zinc/31/19/41/346311941.db2.gz VPVVAYMLJFXCHO-ARJAWSKDSA-N 2 1 194.322 1.767 10 0 ADAEMP Cc1ccncc1Cn1cc[nH+]c1C 334244099 346334479 /nfs/dbraw/zinc/33/44/79/346334479.db2.gz QDHGDCJCEOPACG-UHFFFAOYSA-N 2 1 187.246 1.943 10 0 ADAEMP CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 336626692 346480488 /nfs/dbraw/zinc/48/04/88/346480488.db2.gz LYNQFZPOSVLGTP-GHMZBOCLSA-N 2 1 184.327 1.811 10 0 ADAEMP CC/C=C\C[N@@H+]1CCC[NH2+][C@@H](C)C1 384773092 346539304 /nfs/dbraw/zinc/53/93/04/346539304.db2.gz SCJWGNLBQUSQMX-WYGGZMRJSA-N 2 1 182.311 1.636 10 0 ADAEMP CC/C=C\C[N@H+]1CCC[NH2+][C@@H](C)C1 384773092 346539305 /nfs/dbraw/zinc/53/93/05/346539305.db2.gz SCJWGNLBQUSQMX-WYGGZMRJSA-N 2 1 182.311 1.636 10 0 ADAEMP CC1CC([NH2+][C@H]2C[NH2+]C[C@@H](C)C2)C1 401881257 346621787 /nfs/dbraw/zinc/62/17/87/346621787.db2.gz QLJGFPBZCTVJMK-QONHTCSSSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCCC2)C1 401893339 346623219 /nfs/dbraw/zinc/62/32/19/346623219.db2.gz ZJHPPOVUZUPXPK-KOLCDFICSA-N 2 1 182.311 1.517 10 0 ADAEMP [NH3+]C1CC([NH+]2CCC(F)(F)CC2)C1 405119705 346658276 /nfs/dbraw/zinc/65/82/76/346658276.db2.gz VVXBXUVZDNQJMG-UHFFFAOYSA-N 2 1 190.237 1.207 10 0 ADAEMP C[N@@H+]([C@H]1C[C@@H]([NH3+])C1(C)C)C(C)(C)C 405267468 346662086 /nfs/dbraw/zinc/66/20/86/346662086.db2.gz SBPHSXUFTRROBC-BDAKNGLRSA-N 2 1 184.327 1.843 10 0 ADAEMP C[N@@H+]([C@@H]1C[C@H]([NH3+])C1(C)C)C(C)(C)C 405267471 346662101 /nfs/dbraw/zinc/66/21/01/346662101.db2.gz SBPHSXUFTRROBC-DTWKUNHWSA-N 2 1 184.327 1.843 10 0 ADAEMP CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C1(C)C 405272329 346662107 /nfs/dbraw/zinc/66/21/07/346662107.db2.gz SKLOJKABTJPHKK-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC1(C)CC[C@H]1[N@H+]1CC[C@](C)([NH3+])C1 405769417 346673111 /nfs/dbraw/zinc/67/31/11/346673111.db2.gz CGQWJOJNPNRCBK-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CC([N@H+]2CC[C@@](C)([NH3+])C2)C1 405765348 346673175 /nfs/dbraw/zinc/67/31/75/346673175.db2.gz AGORUFTVRZFRJG-UDNWOFFPSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@](C)([NH3+])C2)[C@@H]1C 405786636 346673929 /nfs/dbraw/zinc/67/39/29/346673929.db2.gz JMOMKYTYRQPLLI-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C[N@H+]2CC[C@](C)([NH3+])C2)CCC1 405776340 346673955 /nfs/dbraw/zinc/67/39/55/346673955.db2.gz FVVZWYWMFHMPST-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP Cc1ccccc1CC(F)(C[NH3+])C[NH3+] 585142331 346753656 /nfs/dbraw/zinc/75/36/56/346753656.db2.gz XXRWLESUDOZAEM-UHFFFAOYSA-N 2 1 196.269 1.163 10 0 ADAEMP C[N@@H+]1CC[C@@H]([NH2+]CCF)CC1(C)C 623977201 347268289 /nfs/dbraw/zinc/26/82/89/347268289.db2.gz KFGVUSZRGVXXIP-SECBINFHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCC12CCC2 629543808 347347306 /nfs/dbraw/zinc/34/73/06/347347306.db2.gz BTOOWCNWGRKSOQ-HBNTYKKESA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C)C[NH2+]1 629542435 347347308 /nfs/dbraw/zinc/34/73/08/347347308.db2.gz ZITUJWASLKELFU-PZWNZHSQSA-N 2 1 196.338 1.761 10 0 ADAEMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 629541636 347347327 /nfs/dbraw/zinc/34/73/27/347347327.db2.gz SYYOJVFRJMJWKY-USZNOCQGSA-N 2 1 196.338 1.905 10 0 ADAEMP C/C=C\C[NH2+][C@@H](C)c1c[nH+]ccc1N 629540932 347347345 /nfs/dbraw/zinc/34/73/45/347347345.db2.gz VQIIBFVGLDJDDC-TYRPZCRBSA-N 2 1 191.278 1.721 10 0 ADAEMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 629541637 347347351 /nfs/dbraw/zinc/34/73/51/347347351.db2.gz SYYOJVFRJMJWKY-WYUUTHIRSA-N 2 1 196.338 1.905 10 0 ADAEMP C/C=C/C[C@H]1CCC[N@@H+](CC[NH3+])C1 629595211 347351701 /nfs/dbraw/zinc/35/17/01/347351701.db2.gz KYJJMZRTKGUJQL-VUDBWIFFSA-N 2 1 182.311 1.623 10 0 ADAEMP C/C=C/C[C@@H]1CCC[N@@H+](CC[NH3+])C1 629595207 347351756 /nfs/dbraw/zinc/35/17/56/347351756.db2.gz KYJJMZRTKGUJQL-KXMPLOMGSA-N 2 1 182.311 1.623 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CCC2)C[C@@H]1C[NH3+] 631836780 347389095 /nfs/dbraw/zinc/38/90/95/347389095.db2.gz GRIHXRAYFCKUQK-JQWIXIFHSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@@H]1C[NH3+] 631836971 347389121 /nfs/dbraw/zinc/38/91/21/347389121.db2.gz KRKCKNIWJMVNGI-ZNSHCXBVSA-N 2 1 182.311 1.169 10 0 ADAEMP CC(C)=CCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 631837717 347389196 /nfs/dbraw/zinc/38/91/96/347389196.db2.gz WNBRGCALVITSPO-NWDGAFQWSA-N 2 1 196.338 1.869 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1C[NH3+] 634998968 347435982 /nfs/dbraw/zinc/43/59/82/347435982.db2.gz NVJVVXIXDCCDJW-MNOVXSKESA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)C2CC2)C1 37080929 351462506 /nfs/dbraw/zinc/46/25/06/351462506.db2.gz KAQPBKGFKLZOTR-FBIMIBRVSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 37255834 351465477 /nfs/dbraw/zinc/46/54/77/351465477.db2.gz TUMGQGHHBIUDKB-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC2(C[NH3+])CCC2)C1 58082596 351579520 /nfs/dbraw/zinc/57/95/20/351579520.db2.gz HSNKOYUZNXIUCX-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP N[C@@H]1CC[N@H+]([C@]23CCCC[C@H]2C3)C1 575480871 352307826 /nfs/dbraw/zinc/30/78/26/352307826.db2.gz OLKKJNJNTOCWIA-AXFHLTTASA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@@H+]2C[C@H]3CC[C@H]3C2)C1 575484083 352324959 /nfs/dbraw/zinc/32/49/59/352324959.db2.gz UIYQNNGEBFNTQP-SGXNHWHWSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2C[NH3+])[C@@H]1C 575515801 352490263 /nfs/dbraw/zinc/49/02/63/352490263.db2.gz TYSLRFWKBDUIKQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)C1 575518372 352502191 /nfs/dbraw/zinc/50/21/91/352502191.db2.gz USKLXICGSYVCMN-IVZWLZJFSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](F)C2)C1 575518376 352502198 /nfs/dbraw/zinc/50/21/98/352502198.db2.gz USKLXICGSYVCMN-OPRDCNLKSA-N 2 1 186.274 1.158 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+]1CC[C@H](F)C1 575518407 352502206 /nfs/dbraw/zinc/50/22/06/352502206.db2.gz VEXUECXFTHAULM-KXUCPTDWSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1CC[C@H](F)C1 575518407 352502207 /nfs/dbraw/zinc/50/22/07/352502207.db2.gz VEXUECXFTHAULM-KXUCPTDWSA-N 2 1 186.274 1.028 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 575521848 352519289 /nfs/dbraw/zinc/51/92/89/352519289.db2.gz OGNUARQFZGHKCN-VLEAKVRGSA-N 2 1 180.295 1.066 10 0 ADAEMP NC(=[NH2+])[C@@H]1CC[N@H+](C2CCCC2)C1 575522336 352521431 /nfs/dbraw/zinc/52/14/31/352521431.db2.gz AFAPQHGNWZBFDH-MRVPVSSYSA-N 2 1 181.283 1.187 10 0 ADAEMP Cc1[nH+]cc([C@H]2CC[NH2+][C@@H]2C)n1C 575511833 352468562 /nfs/dbraw/zinc/46/85/62/352468562.db2.gz WPCQCXWVQHQCMX-APPZFPTMSA-N 2 1 179.267 1.194 10 0 ADAEMP C[N@@H+]1CC[C@@H]([C@H](N)c2cnsc2)C1 575523038 352523982 /nfs/dbraw/zinc/52/39/82/352523982.db2.gz DTBVCOGXYVPUCH-APPZFPTMSA-N 2 1 197.307 1.095 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H](N)c2cnsc2)C1 575523038 352523983 /nfs/dbraw/zinc/52/39/83/352523983.db2.gz DTBVCOGXYVPUCH-APPZFPTMSA-N 2 1 197.307 1.095 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H]([NH3+])c2cnsc2)C1 575523038 352523985 /nfs/dbraw/zinc/52/39/85/352523985.db2.gz DTBVCOGXYVPUCH-APPZFPTMSA-N 2 1 197.307 1.095 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H]2CC[C@H]2C1 575525273 352533639 /nfs/dbraw/zinc/53/36/39/352533639.db2.gz HWKKTYROHBYJFE-AATLWQCWSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC2)C[C@@H](C)[C@@H]1[NH3+] 575525556 352536446 /nfs/dbraw/zinc/53/64/46/352536446.db2.gz LDAWDQXRIFVNJH-JZYVYDRUSA-N 2 1 182.311 1.312 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCC[C@@H]1[NH3+] 575534935 352577207 /nfs/dbraw/zinc/57/72/07/352577207.db2.gz UPXNLWZAMHCCCT-SFYZADRCSA-N 2 1 165.240 1.015 10 0 ADAEMP CC1CC(C[NH3+])([N@H+]2CC[C@H]3C[C@H]32)C1 575537265 352588776 /nfs/dbraw/zinc/58/87/76/352588776.db2.gz DMBSUBKHXBPXOW-LIZLNQBYSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[N@@H+]1CC[C@@H]2C[C@@H]21 575537480 352590227 /nfs/dbraw/zinc/59/02/27/352590227.db2.gz FVJZGXVLDFHINQ-CHWFTXMASA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC=C(C[N@H+]2CC[C@@H]3C[C@@H]32)C1 575544478 352618032 /nfs/dbraw/zinc/61/80/32/352618032.db2.gz WETGPKFJEPFOOL-MXWKQRLJSA-N 2 1 178.279 1.128 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[NH2+][C@@H]1C 575548294 352630745 /nfs/dbraw/zinc/63/07/45/352630745.db2.gz BQDNKBMBADDIDD-RKDXNWHRSA-N 2 1 165.240 1.114 10 0 ADAEMP CC(C)C[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 575549398 352634762 /nfs/dbraw/zinc/63/47/62/352634762.db2.gz KKBJEYWSPIMSGF-GHMZBOCLSA-N 2 1 182.311 1.184 10 0 ADAEMP CC(C)[C@@H](C)[C@@]1([NH3+])CCC[N@H+](C)C1 575565616 352702279 /nfs/dbraw/zinc/70/22/79/352702279.db2.gz AWOZLFJVMZMCKD-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H](C)[C@@]1([NH3+])CCC[N@@H+](C)C1 575565616 352702280 /nfs/dbraw/zinc/70/22/80/352702280.db2.gz AWOZLFJVMZMCKD-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])[C@H]1C 575582007 352784803 /nfs/dbraw/zinc/78/48/03/352784803.db2.gz BIYMMBBMFGXUKS-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@H+](CC(C)(C)[NH3+])[C@@H]1C 575581933 352784811 /nfs/dbraw/zinc/78/48/11/352784811.db2.gz ANXJVKDRFHNTPB-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])[C@@H]1C 575581933 352784812 /nfs/dbraw/zinc/78/48/12/352784812.db2.gz ANXJVKDRFHNTPB-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2C=C[C@H]([NH3+])C2)[C@@H]1C 575583732 352793655 /nfs/dbraw/zinc/79/36/55/352793655.db2.gz MDGIEDTUXDSSQC-DBIOUOCHSA-N 2 1 180.295 1.230 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1C=C[C@H]([NH3+])C1 575583753 352794496 /nfs/dbraw/zinc/79/44/96/352794496.db2.gz MDGIEDTUXDSSQC-YTWAJWBKSA-N 2 1 180.295 1.230 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC1(C)C 575585061 352800916 /nfs/dbraw/zinc/80/09/16/352800916.db2.gz UBGKQSREPNOFNH-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CC[C@H]2C)[C@@H]1C 575585092 352801115 /nfs/dbraw/zinc/80/11/15/352801115.db2.gz ULLPRMOIYGMXDG-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CCC[C@@H]21 575586856 352809190 /nfs/dbraw/zinc/80/91/90/352809190.db2.gz DBFJQXONJCBWSM-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1=CC[C@@H]([NH3+])C1 575591351 352831776 /nfs/dbraw/zinc/83/17/76/352831776.db2.gz KKAHSNBGINAEBF-WCBMZHEXSA-N 2 1 166.268 1.128 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 575594019 352847231 /nfs/dbraw/zinc/84/72/31/352847231.db2.gz BASNXTLUAFNGOT-LMLFDSFASA-N 2 1 182.311 1.739 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]([N@@H+]2CCC2(C)C)C1 575594039 352847238 /nfs/dbraw/zinc/84/72/38/352847238.db2.gz BPBIKWLRWAPOIP-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]([N@H+]2CCC2(C)C)C1 575594039 352847239 /nfs/dbraw/zinc/84/72/39/352847239.db2.gz BPBIKWLRWAPOIP-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1C[C@H]2CCC[C@@H]21 575594074 352847262 /nfs/dbraw/zinc/84/72/62/352847262.db2.gz CXOYDTLFHVEZFP-ZNSHCXBVSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1CCC([NH3+])CC1 575594018 352847270 /nfs/dbraw/zinc/84/72/70/352847270.db2.gz BANAAVBFGSTQDT-WHXUTIOJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CC[C@H]([NH3+])C1 575594020 352847275 /nfs/dbraw/zinc/84/72/75/352847275.db2.gz BASNXTLUAFNGOT-VLEAKVRGSA-N 2 1 182.311 1.739 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2CC23CC3)C[C@@H]1[NH3+] 575594011 352847285 /nfs/dbraw/zinc/84/72/85/352847285.db2.gz AWPGIJNFLHIINR-BBBLOLIVSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCCC[C@@H]1[NH3+] 575594002 352847513 /nfs/dbraw/zinc/84/75/13/352847513.db2.gz AQVCCFREXIHVOG-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C1CC2(C1)CC[N@H+]2C1CC[NH2+]CC1 575594257 352848978 /nfs/dbraw/zinc/84/89/78/352848978.db2.gz FUKWCCVJNPYUKJ-UHFFFAOYSA-N 2 1 180.295 1.367 10 0 ADAEMP CC[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC1(C)C 575594255 352849094 /nfs/dbraw/zinc/84/90/94/352849094.db2.gz FRTSNVCHDDLBKF-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H]1C 575594427 352849635 /nfs/dbraw/zinc/84/96/35/352849635.db2.gz IHWJKFPHZLFKFQ-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[C@@H]([NH3+])C1 575595278 352854831 /nfs/dbraw/zinc/85/48/31/352854831.db2.gz ZVDFJQOUPKSAPS-ZJUUUORDSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643488995 352963663 /nfs/dbraw/zinc/96/36/63/352963663.db2.gz FEIKWMOLKOONLV-CHWFTXMASA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CC1(C)C 643507836 352979636 /nfs/dbraw/zinc/97/96/36/352979636.db2.gz RETXHBRWVLAFAH-GXSJLCMTSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911234 409403842 /nfs/dbraw/zinc/40/38/42/409403842.db2.gz LTGLAWUCOCHTCW-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC(C)(C)CC[N@@H+]1CC[C@@H]([NH3+])C1 308675333 409750498 /nfs/dbraw/zinc/75/04/98/409750498.db2.gz WBJQNTYJCMEUBV-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[C@@H](C[NH+]1CCCC1)[NH2+]C 87527388 325611550 /nfs/dbraw/zinc/61/15/50/325611550.db2.gz DJYMMRYABHLOHP-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C)[C@H](C[NH+]1CCCC1)[NH2+]C 87527392 325611636 /nfs/dbraw/zinc/61/16/36/325611636.db2.gz DJYMMRYABHLOHP-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC=CC1 530214951 325665539 /nfs/dbraw/zinc/66/55/39/325665539.db2.gz DZMJGFINADOPNW-CMPLNLGQSA-N 2 1 194.322 1.540 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC=CC1 530214952 325665593 /nfs/dbraw/zinc/66/55/93/325665593.db2.gz DZMJGFINADOPNW-JQWIXIFHSA-N 2 1 194.322 1.540 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 3732453 342984122 /nfs/dbraw/zinc/98/41/22/342984122.db2.gz CULUXEMAMNOREK-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1CCCC[NH3+] 4226749 342988794 /nfs/dbraw/zinc/98/87/94/342988794.db2.gz HIAORYLLZARRDV-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CCCCC[NH3+] 4226772 342988904 /nfs/dbraw/zinc/98/89/04/342988904.db2.gz POJYFAOROQXOSV-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CCCC[N@@H+](C)CCCC[NH3+] 4226744 342988924 /nfs/dbraw/zinc/98/89/24/342988924.db2.gz LBJDILXJJVRNRO-UHFFFAOYSA-N 2 1 158.289 1.457 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1CCCC[NH3+] 4226750 342988996 /nfs/dbraw/zinc/98/89/96/342988996.db2.gz HIAORYLLZARRDV-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CCCC[N@@H+](C)CCCCC[NH3+] 4226768 342989092 /nfs/dbraw/zinc/98/90/92/342989092.db2.gz ANMLENGZNAWWBM-UHFFFAOYSA-N 2 1 172.316 1.847 10 0 ADAEMP C[C@H]1CCC[N@@H+](CCCCC[NH3+])C1 4226776 342989099 /nfs/dbraw/zinc/98/90/99/342989099.db2.gz DWCHDLFROZSUPF-NSHDSACASA-N 2 1 184.327 1.847 10 0 ADAEMP C[N@@H+](CCCC[NH3+])C1CCCCC1 4226757 342989124 /nfs/dbraw/zinc/98/91/24/342989124.db2.gz LRXOKPBAYQVONA-UHFFFAOYSA-N 2 1 184.327 1.990 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)[C@H](C)[NH3+] 11848600 343025668 /nfs/dbraw/zinc/02/56/68/343025668.db2.gz HWEOHHVPSSVOQY-BQBZGAKWSA-N 2 1 153.229 1.100 10 0 ADAEMP C[N@H+]1CCc2ccccc2[C@@H]1CC[NH3+] 11802475 343024467 /nfs/dbraw/zinc/02/44/67/343024467.db2.gz JPDZZNNZQSJJNB-LBPRGKRZSA-N 2 1 190.290 1.564 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCC[C@@H](C)C1 11822422 343025044 /nfs/dbraw/zinc/02/50/44/343025044.db2.gz LJPRTOVKQFULBS-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCCC[C@@H]1[NH3+] 11848625 343025391 /nfs/dbraw/zinc/02/53/91/343025391.db2.gz RILAHXHOAWMTHS-VHSXEESVSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]([NH3+])C(C)C 11848629 343025401 /nfs/dbraw/zinc/02/54/01/343025401.db2.gz NZRKUEYRKNOIKR-VIFPVBQESA-N 2 1 167.256 1.175 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])C(C)C 11848630 343025474 /nfs/dbraw/zinc/02/54/74/343025474.db2.gz NZRKUEYRKNOIKR-SECBINFHSA-N 2 1 167.256 1.175 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)[C@H](C)[NH3+] 11848598 343025560 /nfs/dbraw/zinc/02/55/60/343025560.db2.gz HWEOHHVPSSVOQY-NKWVEPMBSA-N 2 1 153.229 1.100 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCCC[C@H]1[NH3+] 11848628 343025600 /nfs/dbraw/zinc/02/56/00/343025600.db2.gz RILAHXHOAWMTHS-ZJUUUORDSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)[C@@H](C)[NH3+] 11848599 343025734 /nfs/dbraw/zinc/02/57/34/343025734.db2.gz HWEOHHVPSSVOQY-RQJHMYQMSA-N 2 1 153.229 1.100 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCCC[C@@H]1[NH3+] 11848626 343025751 /nfs/dbraw/zinc/02/57/51/343025751.db2.gz RILAHXHOAWMTHS-UWVGGRQHSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCCC[C@H]1[NH3+] 11848627 343025758 /nfs/dbraw/zinc/02/57/58/343025758.db2.gz RILAHXHOAWMTHS-NXEZZACHSA-N 2 1 179.267 1.634 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@H](C)C[C@@]1(C)[NH+](C)C 13511850 343035145 /nfs/dbraw/zinc/03/51/45/343035145.db2.gz BYGSDTVASMACLN-HBNTYKKESA-N 2 1 184.327 1.667 10 0 ADAEMP C[N@H+]1C(C)(C)C[C@@H](C[NH3+])C1(C)C 14000369 343038271 /nfs/dbraw/zinc/03/82/71/343038271.db2.gz HKSRAKIZEQECFH-QMMMGPOBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1C(C)(C)C[C@H](C[NH3+])C1(C)C 14000372 343038279 /nfs/dbraw/zinc/03/82/79/343038279.db2.gz HKSRAKIZEQECFH-MRVPVSSYSA-N 2 1 170.300 1.454 10 0 ADAEMP Cc1cccc(N2CC[C@H](C[NH3+])C2)[nH+]1 19815174 343061242 /nfs/dbraw/zinc/06/12/42/343061242.db2.gz ROIOXWHKRJFTFA-SNVBAGLBSA-N 2 1 191.278 1.175 10 0 ADAEMP Cc1cccc(N2CC[C@@H](C[NH3+])C2)[nH+]1 19815172 343061262 /nfs/dbraw/zinc/06/12/62/343061262.db2.gz ROIOXWHKRJFTFA-JTQLQIEISA-N 2 1 191.278 1.175 10 0 ADAEMP Cc1ccc(N2CC[C@H](C[NH3+])C2)[nH+]c1 19815178 343061493 /nfs/dbraw/zinc/06/14/93/343061493.db2.gz LHWLJFYCJPATRV-SNVBAGLBSA-N 2 1 191.278 1.175 10 0 ADAEMP Cc1ccc(N2CC[C@@H](C[NH3+])C2)[nH+]c1 19815176 343061503 /nfs/dbraw/zinc/06/15/03/343061503.db2.gz LHWLJFYCJPATRV-JTQLQIEISA-N 2 1 191.278 1.175 10 0 ADAEMP CC[C@@H]([NH3+])[C@@H](C)n1cc[nH+]c1C 22564559 343081643 /nfs/dbraw/zinc/08/16/43/343081643.db2.gz HNSNIJPYQJNTJX-VXNVDRBHSA-N 2 1 167.256 1.490 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)n1cc[nH+]c1C 22564564 343081780 /nfs/dbraw/zinc/08/17/80/343081780.db2.gz HNSNIJPYQJNTJX-APPZFPTMSA-N 2 1 167.256 1.490 10 0 ADAEMP Cc1ccc(C[NH+]2CCC([NH3+])CC2)o1 26516561 343089567 /nfs/dbraw/zinc/08/95/67/343089567.db2.gz SKYURCFJFSFYMB-UHFFFAOYSA-N 2 1 194.278 1.511 10 0 ADAEMP C[C@H](C[NH3+])C[NH+]1Cc2ccccc2C1 26545035 343089653 /nfs/dbraw/zinc/08/96/53/343089653.db2.gz XATPBMOHAPWSEM-SNVBAGLBSA-N 2 1 190.290 1.597 10 0 ADAEMP Cc1ccc2[nH+]cc(CC[NH3+])n2c1 31935566 343094723 /nfs/dbraw/zinc/09/47/23/343094723.db2.gz KEIFXQVDTYQHFH-UHFFFAOYSA-N 2 1 175.235 1.144 10 0 ADAEMP Cc1[nH+]ccn1C1CC[NH2+]CC1 31992558 343095256 /nfs/dbraw/zinc/09/52/56/343095256.db2.gz SEFUBFWYOJSWHS-UHFFFAOYSA-N 2 1 165.240 1.116 10 0 ADAEMP C[N@@H+]1C[C@@H]2C[C@@H](C[NH+]3CCCC[C@@H]23)C1 32250152 343101892 /nfs/dbraw/zinc/10/18/92/343101892.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 2 1 194.322 1.422 10 0 ADAEMP C[NH+]1C[C@@H]2C[C@H](C1)C[N@H+]1CCCC[C@@H]21 32250152 343101894 /nfs/dbraw/zinc/10/18/94/343101894.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 2 1 194.322 1.422 10 0 ADAEMP C[NH+]1C[C@@H]2C[C@H](C1)C[N@@H+]1CCCC[C@@H]21 32250152 343101896 /nfs/dbraw/zinc/10/18/96/343101896.db2.gz JHVZGAIDVLLSEV-WOPDTQHZSA-N 2 1 194.322 1.422 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629147 343103252 /nfs/dbraw/zinc/10/32/52/343103252.db2.gz KUIDTALBUSZCDI-ZACCUICWSA-N 2 1 182.311 1.454 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 33717690 343106337 /nfs/dbraw/zinc/10/63/37/343106337.db2.gz JNYCBCGVMYGERE-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CCC[C@@H](C[NH+]2CCCC2)[NH2+]1 34474911 343119561 /nfs/dbraw/zinc/11/95/61/343119561.db2.gz GYERECBWVQFHTG-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[C@H](C[NH+]2CCCC2)[NH2+]1 34474909 343119660 /nfs/dbraw/zinc/11/96/60/343119660.db2.gz GYERECBWVQFHTG-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CC[NH2+][C@H](C[NH+]2CCCC2)C1 34491471 343120352 /nfs/dbraw/zinc/12/03/52/343120352.db2.gz GMVARXOFYHTZNI-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[NH+]1CCCC1 34491466 343120375 /nfs/dbraw/zinc/12/03/75/343120375.db2.gz NDUDLSYFHAGEOE-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[NH+]1CCCC1 34491467 343120421 /nfs/dbraw/zinc/12/04/21/343120421.db2.gz NDUDLSYFHAGEOE-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[NH+]1CCCC1 34491468 343120486 /nfs/dbraw/zinc/12/04/86/343120486.db2.gz NDUDLSYFHAGEOE-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H](C[NH+]2CCCC2)C1 34491473 343120539 /nfs/dbraw/zinc/12/05/39/343120539.db2.gz GMVARXOFYHTZNI-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCc2cccc3c2[C@@H]1C[C@@H]3[NH3+] 35576816 343133016 /nfs/dbraw/zinc/13/30/16/343133016.db2.gz MOWNEHUHHXNLML-QWRGUYRKSA-N 2 1 188.274 1.619 10 0 ADAEMP C[N@H+]1CCc2cccc3c2[C@H]1C[C@@H]3[NH3+] 35576819 343133076 /nfs/dbraw/zinc/13/30/76/343133076.db2.gz MOWNEHUHHXNLML-WDEREUQCSA-N 2 1 188.274 1.619 10 0 ADAEMP C[C@H](c1ccco1)[N@H+]1CC[C@H](C[NH3+])C1 35739415 343137984 /nfs/dbraw/zinc/13/79/84/343137984.db2.gz KUYORPNWCFTDMJ-NXEZZACHSA-N 2 1 194.278 1.621 10 0 ADAEMP Cc1ccc(NC2CC([NH3+])C2)[nH+]c1 36268797 343143296 /nfs/dbraw/zinc/14/32/96/343143296.db2.gz LBTVGPWMUQEZSF-UHFFFAOYSA-N 2 1 177.251 1.292 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](C)C(N)=[NH2+] 36678414 343147520 /nfs/dbraw/zinc/14/75/20/343147520.db2.gz GMJIOTNQPHHBKG-BBBLOLIVSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1C[C@@H](C)C(N)=[NH2+] 36677943 343147611 /nfs/dbraw/zinc/14/76/11/343147611.db2.gz CTAVAJXXSICZLU-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H](C[N@H+]1CCCC[C@H]1C)C(N)=[NH2+] 36677942 343147667 /nfs/dbraw/zinc/14/76/67/343147667.db2.gz CTAVAJXXSICZLU-RKDXNWHRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@@H](C)C(N)=[NH2+])C1 36677988 343147708 /nfs/dbraw/zinc/14/77/08/343147708.db2.gz WEHRDRQSKIWISP-DTWKUNHWSA-N 2 1 183.299 1.290 10 0 ADAEMP C[NH2+]CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 36827247 343150490 /nfs/dbraw/zinc/15/04/90/343150490.db2.gz KTVKPWFSFNLGGA-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 36810209 343150547 /nfs/dbraw/zinc/15/05/47/343150547.db2.gz BPDGXGDGYGDIHZ-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]CC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 36810209 343150549 /nfs/dbraw/zinc/15/05/49/343150549.db2.gz BPDGXGDGYGDIHZ-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 36810210 343150734 /nfs/dbraw/zinc/15/07/34/343150734.db2.gz BPDGXGDGYGDIHZ-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 36810210 343150736 /nfs/dbraw/zinc/15/07/36/343150736.db2.gz BPDGXGDGYGDIHZ-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 36907469 343153641 /nfs/dbraw/zinc/15/36/41/343153641.db2.gz LDYUEKKZBOXMCU-MXWKQRLJSA-N 2 1 184.327 1.713 10 0 ADAEMP CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C 36907433 343153684 /nfs/dbraw/zinc/15/36/84/343153684.db2.gz FDBQMCCLMAPZFJ-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 36907470 343153851 /nfs/dbraw/zinc/15/38/51/343153851.db2.gz LDYUEKKZBOXMCU-VWYCJHECSA-N 2 1 184.327 1.713 10 0 ADAEMP CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 36907431 343153964 /nfs/dbraw/zinc/15/39/64/343153964.db2.gz FDBQMCCLMAPZFJ-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 36915207 343154331 /nfs/dbraw/zinc/15/43/31/343154331.db2.gz WNGVMWLXARPKIK-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 36915206 343154340 /nfs/dbraw/zinc/15/43/40/343154340.db2.gz WNGVMWLXARPKIK-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1[NH3+] 37080984 343158259 /nfs/dbraw/zinc/15/82/59/343158259.db2.gz AVRXTXXXPHJLHM-UWVGGRQHSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCC[C@@H]1[NH3+] 37080983 343158367 /nfs/dbraw/zinc/15/83/67/343158367.db2.gz AVRXTXXXPHJLHM-VHSXEESVSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1[NH3+] 37080920 343158400 /nfs/dbraw/zinc/15/84/00/343158400.db2.gz XGCJIPJHQAHZOX-QWRGUYRKSA-N 2 1 182.311 1.741 10 0 ADAEMP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)C2CC2)C1 37081077 343158715 /nfs/dbraw/zinc/15/87/15/343158715.db2.gz GGWSTQCEXJHCQY-ADEWGFFLSA-N 2 1 196.338 1.987 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1[NH3+] 37080919 343158810 /nfs/dbraw/zinc/15/88/10/343158810.db2.gz XGCJIPJHQAHZOX-WDEREUQCSA-N 2 1 182.311 1.741 10 0 ADAEMP C[N@@H+](C1CCCC1)C1CC[NH2+]CC1 37092861 343159269 /nfs/dbraw/zinc/15/92/69/343159269.db2.gz RKXFXQWLWFDCNR-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP CC(C)[NH2+]C1CC[NH+](C2CC2)CC1 37141037 343160928 /nfs/dbraw/zinc/16/09/28/343160928.db2.gz HXRWVLFYWCBXFG-UHFFFAOYSA-N 2 1 182.311 1.611 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H]1C[NH3+] 37159956 343161329 /nfs/dbraw/zinc/16/13/29/343161329.db2.gz OQBTWNMSFUCJGT-NXEZZACHSA-N 2 1 179.267 1.491 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCCC[C@H]1C[NH3+] 37159999 343161352 /nfs/dbraw/zinc/16/13/52/343161352.db2.gz VBXGDPIDGRGGLB-WDEREUQCSA-N 2 1 193.294 1.882 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] 37159246 343161368 /nfs/dbraw/zinc/16/13/68/343161368.db2.gz IUZNJUSOBCVBJT-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC[C@@H]1C[NH3+] 37159958 343161378 /nfs/dbraw/zinc/16/13/78/343161378.db2.gz OQBTWNMSFUCJGT-ZJUUUORDSA-N 2 1 179.267 1.491 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 37169054 343161428 /nfs/dbraw/zinc/16/14/28/343161428.db2.gz SJDGUWRWTCZMSL-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 37169054 343161429 /nfs/dbraw/zinc/16/14/29/343161429.db2.gz SJDGUWRWTCZMSL-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 37168948 343161435 /nfs/dbraw/zinc/16/14/35/343161435.db2.gz VYAGDOQCDQNFBL-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 37168425 343161464 /nfs/dbraw/zinc/16/14/64/343161464.db2.gz XEEMRWCZLCRVFS-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 37168425 343161466 /nfs/dbraw/zinc/16/14/66/343161466.db2.gz XEEMRWCZLCRVFS-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] 37157452 343161473 /nfs/dbraw/zinc/16/14/73/343161473.db2.gz PBADDIXPGQOSCE-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C[NH3+] 37159238 343161485 /nfs/dbraw/zinc/16/14/85/343161485.db2.gz DRCXNAONTCWKSF-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCC[C@H]1C[NH3+] 37159962 343161526 /nfs/dbraw/zinc/16/15/26/343161526.db2.gz OQBTWNMSFUCJGT-UWVGGRQHSA-N 2 1 179.267 1.491 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCC[C@@H]1C[NH3+] 37157458 343161549 /nfs/dbraw/zinc/16/15/49/343161549.db2.gz TYGKHQIMSGVOLN-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CCCC[C@H]1C[NH3+] 37160001 343161596 /nfs/dbraw/zinc/16/15/96/343161596.db2.gz VBXGDPIDGRGGLB-QWRGUYRKSA-N 2 1 193.294 1.882 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CCCC[C@@H]1C[NH3+] 37159996 343161606 /nfs/dbraw/zinc/16/16/06/343161606.db2.gz VBXGDPIDGRGGLB-GHMZBOCLSA-N 2 1 193.294 1.882 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 37168947 343161617 /nfs/dbraw/zinc/16/16/17/343161617.db2.gz VYAGDOQCDQNFBL-NXEZZACHSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 37168947 343161620 /nfs/dbraw/zinc/16/16/20/343161620.db2.gz VYAGDOQCDQNFBL-NXEZZACHSA-N 2 1 168.284 1.221 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCCC[C@@H]1C[NH3+] 37159240 343161670 /nfs/dbraw/zinc/16/16/70/343161670.db2.gz DRCXNAONTCWKSF-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])C(F)(F)F 37169738 343161699 /nfs/dbraw/zinc/16/16/99/343161699.db2.gz OWUZAVLNULSUAR-LURJTMIESA-N 2 1 193.172 1.254 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C[NH3+])C(F)(F)F 37169739 343161717 /nfs/dbraw/zinc/16/17/17/343161717.db2.gz OWUZAVLNULSUAR-ZCFIWIBFSA-N 2 1 193.172 1.254 10 0 ADAEMP CC(C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C)C1 37208665 343162674 /nfs/dbraw/zinc/16/26/74/343162674.db2.gz BQZYLIKKODLISD-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1 37208663 343162710 /nfs/dbraw/zinc/16/27/10/343162710.db2.gz BQZYLIKKODLISD-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1 37208662 343162745 /nfs/dbraw/zinc/16/27/45/343162745.db2.gz BQZYLIKKODLISD-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C)C1 37208664 343162782 /nfs/dbraw/zinc/16/27/82/343162782.db2.gz BQZYLIKKODLISD-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37242356 343163714 /nfs/dbraw/zinc/16/37/14/343163714.db2.gz BIGXRTZQXKXIGW-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 37242356 343163716 /nfs/dbraw/zinc/16/37/16/343163716.db2.gz BIGXRTZQXKXIGW-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC(C)(C)[N@@H+]1CC[C@H]([NH3+])C1 37241727 343163739 /nfs/dbraw/zinc/16/37/39/343163739.db2.gz HOLKJFNMKMBDEJ-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H]([NH3+])C1 37241727 343163741 /nfs/dbraw/zinc/16/37/41/343163741.db2.gz HOLKJFNMKMBDEJ-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC(C)(C)[N@@H+]1CC[C@@H]([NH3+])C1 37241729 343163769 /nfs/dbraw/zinc/16/37/69/343163769.db2.gz HOLKJFNMKMBDEJ-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@@H]([NH3+])C1 37241729 343163771 /nfs/dbraw/zinc/16/37/71/343163771.db2.gz HOLKJFNMKMBDEJ-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 37242358 343163800 /nfs/dbraw/zinc/16/38/00/343163800.db2.gz BIGXRTZQXKXIGW-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 37242358 343163801 /nfs/dbraw/zinc/16/38/01/343163801.db2.gz BIGXRTZQXKXIGW-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1CCC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 37255840 343164142 /nfs/dbraw/zinc/16/41/42/343164142.db2.gz TUMGQGHHBIUDKB-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 37255840 343164144 /nfs/dbraw/zinc/16/41/44/343164144.db2.gz TUMGQGHHBIUDKB-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 37255836 343164414 /nfs/dbraw/zinc/16/44/14/343164414.db2.gz TUMGQGHHBIUDKB-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C1 37255836 343164415 /nfs/dbraw/zinc/16/44/15/343164415.db2.gz TUMGQGHHBIUDKB-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1(C)CC1 37266977 343164924 /nfs/dbraw/zinc/16/49/24/343164924.db2.gz PQPIFSATNOORTA-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@@H+](C)CC1([NH3+])CCCC1 37479578 343170811 /nfs/dbraw/zinc/17/08/11/343170811.db2.gz RXIXZPTVWBPTRP-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@H+](CC1([NH3+])CCCC1)C1CC1 37479598 343170991 /nfs/dbraw/zinc/17/09/91/343170991.db2.gz JVTUGVTZUSCXJS-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP C[N@@H+](CC1([NH3+])CCCC1)C1CC1 37479598 343170993 /nfs/dbraw/zinc/17/09/93/343170993.db2.gz JVTUGVTZUSCXJS-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP 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40717050 343221842 /nfs/dbraw/zinc/22/18/42/343221842.db2.gz BLHVYDMAKAKBMB-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)CC(N)=[NH2+])C1 40718418 343221814 /nfs/dbraw/zinc/22/18/14/343221814.db2.gz QSFLGEDTKSRJRX-YUMQZZPRSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 40718456 343221851 /nfs/dbraw/zinc/22/18/51/343221851.db2.gz RLCDEUHEIAHPMM-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[N@H+](CC[C@@H](C)[NH3+])C1 40717881 343221873 /nfs/dbraw/zinc/22/18/73/343221873.db2.gz XCUVTIMMMVXAAG-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)CC[NH3+])C1 40717087 343221885 /nfs/dbraw/zinc/22/18/85/343221885.db2.gz BDQKSRSASCQQOZ-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H](C)C1 40717960 343221901 /nfs/dbraw/zinc/22/19/01/343221901.db2.gz FYEOXLDZMMXLSQ-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 40725249 343222044 /nfs/dbraw/zinc/22/20/44/343222044.db2.gz PNVFAEUEVIJQJC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 40725249 343222047 /nfs/dbraw/zinc/22/20/47/343222047.db2.gz PNVFAEUEVIJQJC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725319 343222137 /nfs/dbraw/zinc/22/21/37/343222137.db2.gz YSBDIUUGSYFPPG-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725318 343222153 /nfs/dbraw/zinc/22/21/53/343222153.db2.gz YSBDIUUGSYFPPG-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@H](C)C1 40725265 343222401 /nfs/dbraw/zinc/22/24/01/343222401.db2.gz GJJJJQJQXULSOB-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H]([NH3+])C[N@H+]1CC[C@@H](C)C1 40725263 343222436 /nfs/dbraw/zinc/22/24/36/343222436.db2.gz GJJJJQJQXULSOB-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+](CC1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 40746496 343222862 /nfs/dbraw/zinc/22/28/62/343222862.db2.gz WPWDPILALKTZML-FOSCPWQOSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1CCC[C@@H](C)N1CC(C)(C)[NH3+] 40925812 343224181 /nfs/dbraw/zinc/22/41/81/343224181.db2.gz TZRHPAKIJIXFMV-AOOOYVTPSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@H]1CCC[C@H](C)N1CC(C)(C)[NH3+] 40925815 343224382 /nfs/dbraw/zinc/22/43/82/343224382.db2.gz TZRHPAKIJIXFMV-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)CC[NH3+] 41042669 343226222 /nfs/dbraw/zinc/22/62/22/343226222.db2.gz SFAKLPOMVICULT-ZETCQYMHSA-N 2 1 153.229 1.101 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)CC[NH3+] 41042670 343226319 /nfs/dbraw/zinc/22/63/19/343226319.db2.gz SFAKLPOMVICULT-SSDOTTSWSA-N 2 1 153.229 1.101 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)C)C1 41051405 343228019 /nfs/dbraw/zinc/22/80/19/343228019.db2.gz KEMGIOQVPBEYLR-NSHDSACASA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)C)C1 41051404 343228286 /nfs/dbraw/zinc/22/82/86/343228286.db2.gz KEMGIOQVPBEYLR-LLVKDONJSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@H](C)[C@@H](C)[NH3+] 41053923 343228406 /nfs/dbraw/zinc/22/84/06/343228406.db2.gz DTPASJVQZWJOCR-RKDXNWHRSA-N 2 1 181.283 1.915 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@@H](C)[C@@H](C)[NH3+] 41053922 343228517 /nfs/dbraw/zinc/22/85/17/343228517.db2.gz DTPASJVQZWJOCR-BDAKNGLRSA-N 2 1 181.283 1.915 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@@H](C)[C@H](C)[NH3+] 41053924 343228587 /nfs/dbraw/zinc/22/85/87/343228587.db2.gz DTPASJVQZWJOCR-IUCAKERBSA-N 2 1 181.283 1.915 10 0 ADAEMP CC(C)c1[nH+]ccn1[C@H](C)[C@H](C)[NH3+] 41053925 343228705 /nfs/dbraw/zinc/22/87/05/343228705.db2.gz DTPASJVQZWJOCR-DTWKUNHWSA-N 2 1 181.283 1.915 10 0 ADAEMP C[C@H](CC[NH3+])[NH+]1Cc2ccccc2C1 41205118 343232110 /nfs/dbraw/zinc/23/21/10/343232110.db2.gz PUHINXOSDLTFHE-SNVBAGLBSA-N 2 1 190.290 1.740 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 42171757 343237314 /nfs/dbraw/zinc/23/73/14/343237314.db2.gz KNHNLHMRNRBIAV-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]1 42172201 343237524 /nfs/dbraw/zinc/23/75/24/343237524.db2.gz JCKDLCRNTDPXJJ-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCCC[C@@H]1[NH3+] 42419751 343241994 /nfs/dbraw/zinc/24/19/94/343241994.db2.gz RLXVRJYBRDCKNM-VHSXEESVSA-N 2 1 193.294 1.888 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCCC[C@@H]1[NH3+] 42419752 343242050 /nfs/dbraw/zinc/24/20/50/343242050.db2.gz RLXVRJYBRDCKNM-UWVGGRQHSA-N 2 1 193.294 1.888 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@H]1C[NH3+] 42419643 343242085 /nfs/dbraw/zinc/24/20/85/343242085.db2.gz PLXJFDJVVSVHGV-UWVGGRQHSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CCC[C@@H]1C[NH3+] 42419641 343242115 /nfs/dbraw/zinc/24/21/15/343242115.db2.gz PLXJFDJVVSVHGV-ZJUUUORDSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@H]1C[NH3+] 42419642 343242127 /nfs/dbraw/zinc/24/21/27/343242127.db2.gz PLXJFDJVVSVHGV-VHSXEESVSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@@H]1C[NH3+] 42419640 343242143 /nfs/dbraw/zinc/24/21/43/343242143.db2.gz PLXJFDJVVSVHGV-NXEZZACHSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCCC[C@H]1[NH3+] 42419753 343242304 /nfs/dbraw/zinc/24/23/04/343242304.db2.gz RLXVRJYBRDCKNM-NXEZZACHSA-N 2 1 193.294 1.888 10 0 ADAEMP CCC[NH2+]CCn1cc[nH+]c1CC 42420132 343242342 /nfs/dbraw/zinc/24/23/42/343242342.db2.gz LGTRIMRKDMZPLR-UHFFFAOYSA-N 2 1 181.283 1.445 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CCC[C@H]1[NH3+] 42419735 343242360 /nfs/dbraw/zinc/24/23/60/343242360.db2.gz NCQVVAPTTFYEEA-RKDXNWHRSA-N 2 1 179.267 1.498 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+]1CCCSCC1 42444946 343242638 /nfs/dbraw/zinc/24/26/38/343242638.db2.gz XKKZZTCSRWZRRZ-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1CCCSCC1 42444946 343242640 /nfs/dbraw/zinc/24/26/40/343242640.db2.gz XKKZZTCSRWZRRZ-SECBINFHSA-N 2 1 188.340 1.163 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 42427356 343242756 /nfs/dbraw/zinc/24/27/56/343242756.db2.gz QZQADMYZCBMZKL-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 42427358 343242807 /nfs/dbraw/zinc/24/28/07/343242807.db2.gz QZQADMYZCBMZKL-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCCSCC1 42443331 343242871 /nfs/dbraw/zinc/24/28/71/343242871.db2.gz FSVSGIKJKVKZND-SECBINFHSA-N 2 1 188.340 1.020 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 42427359 343242904 /nfs/dbraw/zinc/24/29/04/343242904.db2.gz QZQADMYZCBMZKL-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCCSCC1 42444952 343242919 /nfs/dbraw/zinc/24/29/19/343242919.db2.gz OQUUYLWSIRGYSV-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP C[N@H+]1CC[C@@H](Nc2cc[nH+]cc2)C1 42548250 343246081 /nfs/dbraw/zinc/24/60/81/343246081.db2.gz VMTAESDLODVUMY-SNVBAGLBSA-N 2 1 177.251 1.198 10 0 ADAEMP C[N@H+]1CC[C@H](Nc2cc[nH+]cc2)C1 42548247 343246494 /nfs/dbraw/zinc/24/64/94/343246494.db2.gz VMTAESDLODVUMY-JTQLQIEISA-N 2 1 177.251 1.198 10 0 ADAEMP CCC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 42580703 343247965 /nfs/dbraw/zinc/24/79/65/343247965.db2.gz HTUAUSPTOILHRU-CXQJBGSLSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 42580703 343247967 /nfs/dbraw/zinc/24/79/67/343247967.db2.gz HTUAUSPTOILHRU-CXQJBGSLSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C[NH3+])c1ccco1 43336362 343251252 /nfs/dbraw/zinc/25/12/52/343251252.db2.gz ONOUBQBWRZDWIR-SECBINFHSA-N 2 1 191.234 1.333 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])c1ccco1 43336361 343251260 /nfs/dbraw/zinc/25/12/60/343251260.db2.gz ONOUBQBWRZDWIR-VIFPVBQESA-N 2 1 191.234 1.333 10 0 ADAEMP CC[C@H](C[NH3+])n1cc[nH+]c1C 43540820 343254622 /nfs/dbraw/zinc/25/46/22/343254622.db2.gz GFPFLHGOAXNMJL-MRVPVSSYSA-N 2 1 153.229 1.101 10 0 ADAEMP CC[C@@H](C[NH3+])n1cc[nH+]c1C 43540819 343254821 /nfs/dbraw/zinc/25/48/21/343254821.db2.gz GFPFLHGOAXNMJL-QMMMGPOBSA-N 2 1 153.229 1.101 10 0 ADAEMP Cc1cc[nH+]c(NC2CC([NH3+])C2)c1 43561745 343256273 /nfs/dbraw/zinc/25/62/73/343256273.db2.gz YCBPWGUBAAVVTJ-UHFFFAOYSA-N 2 1 177.251 1.292 10 0 ADAEMP CC[NH2+][C@@H](C)C[NH+](CC)CC 43809296 343259747 /nfs/dbraw/zinc/25/97/47/343259747.db2.gz SXIRUGFELHYCEU-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](C)C[C@H]1[NH+](C)C 43815750 343259804 /nfs/dbraw/zinc/25/98/04/343259804.db2.gz YQHOTCVVDQUCDA-IVZWLZJFSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+](C)C 43815995 343259812 /nfs/dbraw/zinc/25/98/12/343259812.db2.gz SMLWIOLWVGJINE-MXWKQRLJSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([NH+](C)C)C1 43815795 343259833 /nfs/dbraw/zinc/25/98/33/343259833.db2.gz SIHLITXYHXNANM-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+](C)C 43815993 343259884 /nfs/dbraw/zinc/25/98/84/343259884.db2.gz SMLWIOLWVGJINE-AXFHLTTASA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C 43819852 343259914 /nfs/dbraw/zinc/25/99/14/343259914.db2.gz YIOHOIOVVKUYGP-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C 43819852 343259916 /nfs/dbraw/zinc/25/99/16/343259916.db2.gz YIOHOIOVVKUYGP-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([NH+](C)C)C1 43815797 343259920 /nfs/dbraw/zinc/25/99/20/343259920.db2.gz SIHLITXYHXNANM-GMTAPVOTSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1[NH+](C)C 43815748 343259942 /nfs/dbraw/zinc/25/99/42/343259942.db2.gz YQHOTCVVDQUCDA-OPRDCNLKSA-N 2 1 170.300 1.325 10 0 ADAEMP CCC[NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1 44380367 343264596 /nfs/dbraw/zinc/26/45/96/343264596.db2.gz HNVFMLWGTKRNMC-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[NH2+]CC[N@@H+]1C[C@@H](C)C[C@@H](C)C1 44380362 343264693 /nfs/dbraw/zinc/26/46/93/343264693.db2.gz HNVFMLWGTKRNMC-TXEJJXNPSA-N 2 1 198.354 1.964 10 0 ADAEMP CCC[NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1 44380372 343264802 /nfs/dbraw/zinc/26/48/02/343264802.db2.gz HNVFMLWGTKRNMC-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CCC2)CCC[NH2+]1 44390307 343264816 /nfs/dbraw/zinc/26/48/16/343264816.db2.gz PVQLMLSAXQBTCB-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C1CC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)C1 44481695 343266765 /nfs/dbraw/zinc/26/67/65/343266765.db2.gz VMTXQDNGEWLAEO-GHMZBOCLSA-N 2 1 180.295 1.365 10 0 ADAEMP C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)C1 44481695 343266767 /nfs/dbraw/zinc/26/67/67/343266767.db2.gz VMTXQDNGEWLAEO-GHMZBOCLSA-N 2 1 180.295 1.365 10 0 ADAEMP C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]23)C1 44481696 343266796 /nfs/dbraw/zinc/26/67/96/343266796.db2.gz VMTXQDNGEWLAEO-WDEREUQCSA-N 2 1 180.295 1.365 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 44527580 343267051 /nfs/dbraw/zinc/26/70/51/343267051.db2.gz HHUUALDTEQECHJ-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 44527634 343267068 /nfs/dbraw/zinc/26/70/68/343267068.db2.gz UFCNPZPYECNAHA-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C[NH+]1CCCC1)[NH2+]C 50166280 343279168 /nfs/dbraw/zinc/27/91/68/343279168.db2.gz LESPMWLCDQHTEK-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCC[C@H](C)C1 50270733 343280414 /nfs/dbraw/zinc/28/04/14/343280414.db2.gz LBWPVSRJRLSTLJ-QWRGUYRKSA-N 2 1 184.327 1.892 10 0 ADAEMP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]C1CC1 50271082 343280473 /nfs/dbraw/zinc/28/04/73/343280473.db2.gz GGAVWBTZHPBLHG-GXSJLCMTSA-N 2 1 182.311 1.646 10 0 ADAEMP CC(C)[NH2+]C1(C[NH3+])CCCC1 50270742 343280536 /nfs/dbraw/zinc/28/05/36/343280536.db2.gz URVYSIBCMSJKJJ-UHFFFAOYSA-N 2 1 156.273 1.256 10 0 ADAEMP CC(C)[NH2+]C1(C[NH3+])CCSCC1 50271039 343280588 /nfs/dbraw/zinc/28/05/88/343280588.db2.gz WDBHENCULKYEOL-UHFFFAOYSA-N 2 1 188.340 1.209 10 0 ADAEMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)o1 50245290 343280595 /nfs/dbraw/zinc/28/05/95/343280595.db2.gz QKZGXHTWEBBFSQ-JTQLQIEISA-N 2 1 194.278 1.369 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H](C)[C@H]1C 50565076 343284195 /nfs/dbraw/zinc/28/41/95/343284195.db2.gz CQAPWPHGCAXLPM-HLTSFMKQSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@@H](C)[C@H]1C 50565076 343284196 /nfs/dbraw/zinc/28/41/96/343284196.db2.gz CQAPWPHGCAXLPM-HLTSFMKQSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@@H](C)C(N)=[NH2+])[C@@H]1C 50565071 343284391 /nfs/dbraw/zinc/28/43/91/343284391.db2.gz SUWRYOGWOCJOTK-IVZWLZJFSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1C)C(N)=[NH2+] 50565070 343284529 /nfs/dbraw/zinc/28/45/29/343284529.db2.gz SUWRYOGWOCJOTK-OPRDCNLKSA-N 2 1 197.326 1.679 10 0 ADAEMP CCn1cc[nH+]c1N[C@@H]1CC[N@@H+](C)C1 50614174 343285692 /nfs/dbraw/zinc/28/56/92/343285692.db2.gz JKMCWYLCCPDBMB-SECBINFHSA-N 2 1 194.282 1.019 10 0 ADAEMP CCn1cc[nH+]c1N[C@H]1CC[N@@H+](C)C1 50614175 343285726 /nfs/dbraw/zinc/28/57/26/343285726.db2.gz JKMCWYLCCPDBMB-VIFPVBQESA-N 2 1 194.282 1.019 10 0 ADAEMP C[C@H]([NH3+])CC[NH+]1Cc2ccccc2C1 50910780 343286826 /nfs/dbraw/zinc/28/68/26/343286826.db2.gz MKKSMBBQMAYOSP-JTQLQIEISA-N 2 1 190.290 1.740 10 0 ADAEMP CC(C)[N@@H+](C)Cc1ccc(NN)[nH+]c1 51146836 343288961 /nfs/dbraw/zinc/28/89/61/343288961.db2.gz NVFKHNNLENSHNN-UHFFFAOYSA-N 2 1 194.282 1.207 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC(C)(C)C[NH3+] 51205597 343289482 /nfs/dbraw/zinc/28/94/82/343289482.db2.gz JFWRNXTUOUZBFB-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CC(C)(C)C[NH3+])C1 51206814 343289641 /nfs/dbraw/zinc/28/96/41/343289641.db2.gz ZYYDOVTYFSTXIM-PHIMTYICSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2(C[NH3+])CCCC2)C1 51249973 343289697 /nfs/dbraw/zinc/28/96/97/343289697.db2.gz BSXKZATYUPGMIF-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP Cc1[nH+]ccn1-c1cccc(C[NH3+])n1 51490858 343289972 /nfs/dbraw/zinc/28/99/72/343289972.db2.gz MNWRUIFOXFPDIW-UHFFFAOYSA-N 2 1 188.234 1.034 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@H](C)C1 51730067 343292494 /nfs/dbraw/zinc/29/24/94/343292494.db2.gz QDFUXIQGKKNUGV-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC(N)=[NH2+])[C@H](C)C1 51732475 343292540 /nfs/dbraw/zinc/29/25/40/343292540.db2.gz RTJMAELFDAGMAO-RKDXNWHRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CC[C@@H](C)C[C@H]1C 51732483 343292586 /nfs/dbraw/zinc/29/25/86/343292586.db2.gz CFPFYMVUSVXEEF-BBBLOLIVSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CC[C@@H](C)C[C@H]1C 51730081 343292696 /nfs/dbraw/zinc/29/26/96/343292696.db2.gz IZICDEFJXZEWCF-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CC[N@H+](C[C@@H](C)C(N)=[NH2+])[C@H](C)C1 51732480 343292829 /nfs/dbraw/zinc/29/28/29/343292829.db2.gz KMBXFGZJEHDTNT-OPRDCNLKSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC(N)=[NH2+])[C@H](C)C1 51732476 343292931 /nfs/dbraw/zinc/29/29/31/343292931.db2.gz RTJMAELFDAGMAO-DTWKUNHWSA-N 2 1 183.299 1.433 10 0 ADAEMP Cc1[nH+]cn([C@H](C)CC[NH3+])c1C 51926104 343295890 /nfs/dbraw/zinc/29/58/90/343295890.db2.gz WQGDTZOBAGZWRO-SSDOTTSWSA-N 2 1 167.256 1.410 10 0 ADAEMP Cc1[nH+]cn(C[C@H](C)C(N)=[NH2+])c1C 51927159 343295901 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153.229 1.020 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCC[C@H]2C[NH3+])c1C 51926086 343296021 /nfs/dbraw/zinc/29/60/21/343296021.db2.gz UBXGQCCAJRDDEH-QWRGUYRKSA-N 2 1 193.294 1.800 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[C@@H]2C[NH3+])c1C 51926083 343296035 /nfs/dbraw/zinc/29/60/35/343296035.db2.gz UBXGQCCAJRDDEH-GHMZBOCLSA-N 2 1 193.294 1.800 10 0 ADAEMP CC[C@H](C[NH3+])n1c[nH+]c(C)c1C 51926112 343296067 /nfs/dbraw/zinc/29/60/67/343296067.db2.gz SMHVREBRHDQSJB-SECBINFHSA-N 2 1 167.256 1.410 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[C@@H]2[NH3+])c1C 51926507 343296085 /nfs/dbraw/zinc/29/60/85/343296085.db2.gz FNCUVFRFVDNUQP-VHSXEESVSA-N 2 1 179.267 1.552 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCC[C@H]2[NH3+])c1C 51926510 343296089 /nfs/dbraw/zinc/29/60/89/343296089.db2.gz FNCUVFRFVDNUQP-ZJUUUORDSA-N 2 1 179.267 1.552 10 0 ADAEMP Cc1[nH+]cn(C[C@@H](C)C[NH3+])c1C 51926136 343296097 /nfs/dbraw/zinc/29/60/97/343296097.db2.gz BAMTWUBVLXIZMS-ZETCQYMHSA-N 2 1 167.256 1.095 10 0 ADAEMP Cc1[nH+]cn(C[C@@H]2CCC[NH2+]2)c1C 51927078 343296115 /nfs/dbraw/zinc/29/61/15/343296115.db2.gz SXFGREFMPAQHQE-JTQLQIEISA-N 2 1 179.267 1.252 10 0 ADAEMP Cc1[nH+]cn(C[C@@H]2CCCC[NH2+]2)c1C 51927084 343296120 /nfs/dbraw/zinc/29/61/20/343296120.db2.gz PJSPRQHSOPNUCO-NSHDSACASA-N 2 1 193.294 1.642 10 0 ADAEMP Cc1[nH+]cn([C@H](C)[C@@H](C)[NH3+])c1C 51926279 343296142 /nfs/dbraw/zinc/29/61/42/343296142.db2.gz GQUMQYYFSXOOEO-HTRCEHHLSA-N 2 1 167.256 1.408 10 0 ADAEMP Cc1[nH+]cn([C@H](C)[C@H](C)[NH3+])c1C 51926281 343296153 /nfs/dbraw/zinc/29/61/53/343296153.db2.gz GQUMQYYFSXOOEO-POYBYMJQSA-N 2 1 167.256 1.408 10 0 ADAEMP Cc1[nH+]cn([C@H]2CCC[NH2+]C2)c1C 51927083 343296169 /nfs/dbraw/zinc/29/61/69/343296169.db2.gz NXZNHOPZTGNEOT-JTQLQIEISA-N 2 1 179.267 1.424 10 0 ADAEMP Cc1[nH+]cn(C[C@H]2CCCC[NH2+]2)c1C 51927085 343296180 /nfs/dbraw/zinc/29/61/80/343296180.db2.gz PJSPRQHSOPNUCO-LLVKDONJSA-N 2 1 193.294 1.642 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)CC[NH3+])c1C 51926103 343296184 /nfs/dbraw/zinc/29/61/84/343296184.db2.gz WQGDTZOBAGZWRO-ZETCQYMHSA-N 2 1 167.256 1.410 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[NH2+]C2)c1C 51927082 343296193 /nfs/dbraw/zinc/29/61/93/343296193.db2.gz NXZNHOPZTGNEOT-SNVBAGLBSA-N 2 1 179.267 1.424 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[C@H]2C[NH3+])c1C 51926085 343296199 /nfs/dbraw/zinc/29/61/99/343296199.db2.gz UBXGQCCAJRDDEH-WDEREUQCSA-N 2 1 193.294 1.800 10 0 ADAEMP Cc1[nH+]cn(C[C@H](C)C[NH3+])c1C 51926137 343296219 /nfs/dbraw/zinc/29/62/19/343296219.db2.gz BAMTWUBVLXIZMS-SSDOTTSWSA-N 2 1 167.256 1.095 10 0 ADAEMP Cc1[nH+]cn(C[C@H]2CCC[NH2+]2)c1C 51927079 343296236 /nfs/dbraw/zinc/29/62/36/343296236.db2.gz SXFGREFMPAQHQE-SNVBAGLBSA-N 2 1 179.267 1.252 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)[C@H](C)[NH3+])c1C 51926280 343296262 /nfs/dbraw/zinc/29/62/62/343296262.db2.gz GQUMQYYFSXOOEO-XPUUQOCRSA-N 2 1 167.256 1.408 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CCC[C@H]2[NH3+])c1C 51926509 343296274 /nfs/dbraw/zinc/29/62/74/343296274.db2.gz FNCUVFRFVDNUQP-NXEZZACHSA-N 2 1 179.267 1.552 10 0 ADAEMP 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/nfs/dbraw/zinc/30/23/67/343302367.db2.gz URFIPCTWWHZPCJ-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+]C2CCC2)[C@H](C)C[N@H+]1C 52208056 343302408 /nfs/dbraw/zinc/30/24/08/343302408.db2.gz KSQMDDSIGYNZPN-JFGNBEQYSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[C@H]([NH2+]C2CCC2)[C@H](C)C[N@H+]1C 52208050 343302432 /nfs/dbraw/zinc/30/24/32/343302432.db2.gz KSQMDDSIGYNZPN-SCVCMEIPSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@H+](C2CCC2)C1 52213836 343302637 /nfs/dbraw/zinc/30/26/37/343302637.db2.gz IAYIBJXWBUUCAB-PHIMTYICSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C)CC1 52269678 343303051 /nfs/dbraw/zinc/30/30/51/343303051.db2.gz QKWBVUNCEDTMGT-WPRPVWTQSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)CC[NH2+]1 52298934 343305184 /nfs/dbraw/zinc/30/51/84/343305184.db2.gz KALJQZCWYBORRV-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2C[C@@H]2C)CC[C@@H](C)[NH2+]1 52298982 343305323 /nfs/dbraw/zinc/30/53/23/343305323.db2.gz JYSMUQAKKVULIO-NNYUYHANSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1C[C@H]1[N@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 52298988 343305373 /nfs/dbraw/zinc/30/53/73/343305373.db2.gz QRLCTBNPWXKJMJ-WRWGMCAJSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]1C[C@H]1[N@H+]1CCC[NH2+][C@H](C)CC1 52298956 343305386 /nfs/dbraw/zinc/30/53/86/343305386.db2.gz JTLZNIDQCSNVDZ-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+](Cc2occc2C[NH3+])C1 52484429 343305968 /nfs/dbraw/zinc/30/59/68/343305968.db2.gz YKICUGCDIKMSOW-VIFPVBQESA-N 2 1 194.278 1.580 10 0 ADAEMP C[C@H]1CCC[N@H+]1Cc1ccoc1C[NH3+] 52375808 343306076 /nfs/dbraw/zinc/30/60/76/343306076.db2.gz RLLBOLAPIZWWLL-VIFPVBQESA-N 2 1 194.278 1.723 10 0 ADAEMP C[C@H]1CCC[N@H+]1Cc1cc(C[NH3+])co1 52375967 343306176 /nfs/dbraw/zinc/30/61/76/343306176.db2.gz CTDOQDIIQNJTFG-VIFPVBQESA-N 2 1 194.278 1.723 10 0 ADAEMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH3+])o2)C1 52484425 343306201 /nfs/dbraw/zinc/30/62/01/343306201.db2.gz MTEVWJCFMFDSQR-VIFPVBQESA-N 2 1 194.278 1.580 10 0 ADAEMP Cc1[nH+]ccn1Cc1occc1C[NH3+] 52576095 343306422 /nfs/dbraw/zinc/30/64/22/343306422.db2.gz KBXHEBSELLQNGO-UHFFFAOYSA-N 2 1 191.234 1.292 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C[NH3+])C(C)C 52576122 343306454 /nfs/dbraw/zinc/30/64/54/343306454.db2.gz ZJZJBANIAJGLFZ-VIFPVBQESA-N 2 1 167.256 1.347 10 0 ADAEMP Cc1[nH+]ccn1Cc1cc(C[NH3+])co1 52576135 343306568 /nfs/dbraw/zinc/30/65/68/343306568.db2.gz QWXMJDWUBAMGFV-UHFFFAOYSA-N 2 1 191.234 1.292 10 0 ADAEMP Cc1[nH+]ccn1Cc1ccoc1C[NH3+] 52576101 343306577 /nfs/dbraw/zinc/30/65/77/343306577.db2.gz DYTYVSBFVFJNCW-UHFFFAOYSA-N 2 1 191.234 1.292 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 53010342 343311888 /nfs/dbraw/zinc/31/18/88/343311888.db2.gz AIHZUMVHFPHQAK-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CC1 53255642 343313655 /nfs/dbraw/zinc/31/36/55/343313655.db2.gz ILRFUBQDRBDUMZ-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 53860051 343316575 /nfs/dbraw/zinc/31/65/75/343316575.db2.gz ROKILCFSWBIONX-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 53859983 343316615 /nfs/dbraw/zinc/31/66/15/343316615.db2.gz UMQIOXROCRYAFE-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 53865485 343316878 /nfs/dbraw/zinc/31/68/78/343316878.db2.gz GPUVRPVHPAWLRE-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 53870435 343316884 /nfs/dbraw/zinc/31/68/84/343316884.db2.gz KDGYYCRSYQGSQL-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@@H]1[NH3+])C1CC1 53865477 343316894 /nfs/dbraw/zinc/31/68/94/343316894.db2.gz YLFRQRZEKCFGNL-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@@H]1[NH3+])C1CC1 53865476 343316922 /nfs/dbraw/zinc/31/69/22/343316922.db2.gz YLFRQRZEKCFGNL-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C[C@H]1CCCCC[C@@H]1[NH3+])C1CC1 53865487 343317064 /nfs/dbraw/zinc/31/70/64/343317064.db2.gz GPUVRPVHPAWLRE-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])C1 53870432 343317173 /nfs/dbraw/zinc/31/71/73/343317173.db2.gz KDGYYCRSYQGSQL-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](C1CCCC1)[N@H+]1CC[C@H](C[NH3+])C1 54082038 343317776 /nfs/dbraw/zinc/31/77/76/343317776.db2.gz XYULSIRPMVZEGW-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[N@H+](C)[C@@H]1CCCC[NH2+]C1 54135003 343317878 /nfs/dbraw/zinc/31/78/78/343317878.db2.gz NHCQIFKIKUMSFX-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCCC[NH2+]C1 54135003 343317880 /nfs/dbraw/zinc/31/78/80/343317880.db2.gz NHCQIFKIKUMSFX-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCCC[NH2+]C1 54135005 343318091 /nfs/dbraw/zinc/31/80/91/343318091.db2.gz NHCQIFKIKUMSFX-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 54135177 343318395 /nfs/dbraw/zinc/31/83/95/343318395.db2.gz MRLZHQLSZNPAJT-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC2(C)C)C1 54243800 343320919 /nfs/dbraw/zinc/32/09/19/343320919.db2.gz PDXPPUDPDCMZNZ-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC2(C)C)C1 54243801 343320932 /nfs/dbraw/zinc/32/09/32/343320932.db2.gz PDXPPUDPDCMZNZ-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC2(C)C)C1 54243802 343320978 /nfs/dbraw/zinc/32/09/78/343320978.db2.gz PDXPPUDPDCMZNZ-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 54243937 343321008 /nfs/dbraw/zinc/32/10/08/343321008.db2.gz ADSDNODLUOOVLU-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC2(C)C)C1 54243799 343321018 /nfs/dbraw/zinc/32/10/18/343321018.db2.gz PDXPPUDPDCMZNZ-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)C[N@H+]1CCC[NH2+]C[C@H](C)C1 54490927 343324934 /nfs/dbraw/zinc/32/49/34/343324934.db2.gz AQBLYJAZQXUMRW-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1[NH+](C)C 54554746 343325839 /nfs/dbraw/zinc/32/58/39/343325839.db2.gz MFTCBXGOMLGRLG-IJLUTSLNSA-N 2 1 198.354 1.961 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1[NH+](C)C 54554747 343325911 /nfs/dbraw/zinc/32/59/11/343325911.db2.gz MFTCBXGOMLGRLG-QJPTWQEYSA-N 2 1 198.354 1.961 10 0 ADAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C(C)C 54627113 343326903 /nfs/dbraw/zinc/32/69/03/343326903.db2.gz CACYAPMDTSAOKH-FGWVZKOKSA-N 2 1 182.311 1.610 10 0 ADAEMP C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 54603338 343327018 /nfs/dbraw/zinc/32/70/18/343327018.db2.gz ZEIRYKFSGDHAFA-UQPYNNQESA-N 2 1 180.295 1.364 10 0 ADAEMP C[C@H]1CC[N@H+](C2CCC([NH3+])CC2)C1 55144441 343333992 /nfs/dbraw/zinc/33/39/92/343333992.db2.gz OEPAPNACBZFAIJ-WHXUTIOJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@@H+](C)C1CCC([NH3+])CC1 55144230 343334004 /nfs/dbraw/zinc/33/40/04/343334004.db2.gz PRPVULUNZGDXOO-UHFFFAOYSA-N 2 1 170.300 1.597 10 0 ADAEMP Cc1[nH+]cn(C2CCC([NH3+])CC2)c1C 55144757 343334053 /nfs/dbraw/zinc/33/40/53/343334053.db2.gz VDRHHVIKTJSYMK-UHFFFAOYSA-N 2 1 193.294 1.942 10 0 ADAEMP C[C@H]1CCC[N@H+](C2CCC([NH3+])CC2)C1 55144219 343334075 /nfs/dbraw/zinc/33/40/75/343334075.db2.gz VZFXSUGSHNDPIX-UNXYVOJBSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CCC[N@H+]1C1CCC([NH3+])CC1 55144425 343334140 /nfs/dbraw/zinc/33/41/40/343334140.db2.gz PLYUWCWLJLKBST-WHXUTIOJSA-N 2 1 182.311 1.741 10 0 ADAEMP Cc1[nH+]ccn1C1CCC([NH3+])CC1 55144714 343334245 /nfs/dbraw/zinc/33/42/45/343334245.db2.gz NBMLEDYAEMYELC-UHFFFAOYSA-N 2 1 179.267 1.634 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CC1(C[NH3+])CCC1 58082557 343339084 /nfs/dbraw/zinc/33/90/84/343339084.db2.gz WGNUSWXLWOVFLX-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC2(C[NH3+])CCC2)C1 58082599 343339146 /nfs/dbraw/zinc/33/91/46/343339146.db2.gz HSNKOYUZNXIUCX-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+](C)C1CCCCCC1 59184503 343342469 /nfs/dbraw/zinc/34/24/69/343342469.db2.gz OOYAUIIMOVVSKQ-SECBINFHSA-N 2 1 197.326 1.965 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+](C)C1CCCCCC1 59184503 343342470 /nfs/dbraw/zinc/34/24/70/343342470.db2.gz OOYAUIIMOVVSKQ-SECBINFHSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H]1CCCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 59184441 343342585 /nfs/dbraw/zinc/34/25/85/343342585.db2.gz LKDJFHJEENJVFM-DTWKUNHWSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1[C@@H](C)C(N)=[NH2+] 59184441 343342586 /nfs/dbraw/zinc/34/25/86/343342586.db2.gz LKDJFHJEENJVFM-DTWKUNHWSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)C1CCCCC1 59184396 343342608 /nfs/dbraw/zinc/34/26/08/343342608.db2.gz YHHARSYHJQVIKO-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)C1CCCCC1 59184396 343342611 /nfs/dbraw/zinc/34/26/11/343342611.db2.gz YHHARSYHJQVIKO-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+](C)C1CCCCC1 59184398 343342637 /nfs/dbraw/zinc/34/26/37/343342637.db2.gz YHHARSYHJQVIKO-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+](C)C1CCCCC1 59184398 343342639 /nfs/dbraw/zinc/34/26/39/343342639.db2.gz YHHARSYHJQVIKO-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@H]1CCCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 59184444 343342717 /nfs/dbraw/zinc/34/27/17/343342717.db2.gz LKDJFHJEENJVFM-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1[C@@H](C)C(N)=[NH2+] 59184444 343342720 /nfs/dbraw/zinc/34/27/20/343342720.db2.gz LKDJFHJEENJVFM-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H](C(N)=[NH2+])[NH+]1CCCCCC1 59184385 343342729 /nfs/dbraw/zinc/34/27/29/343342729.db2.gz QHGWFYMCNOCTNS-MRVPVSSYSA-N 2 1 169.272 1.187 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[NH+]1CCCCCC1 59184374 343342764 /nfs/dbraw/zinc/34/27/64/343342764.db2.gz QHGWFYMCNOCTNS-QMMMGPOBSA-N 2 1 169.272 1.187 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[NH+]1CCCCCCC1 59184409 343342776 /nfs/dbraw/zinc/34/27/76/343342776.db2.gz BLXMMVODPJSOOS-VIFPVBQESA-N 2 1 183.299 1.577 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)C1CCCCCC1 59184499 343342782 /nfs/dbraw/zinc/34/27/82/343342782.db2.gz OOYAUIIMOVVSKQ-VIFPVBQESA-N 2 1 197.326 1.965 10 0 ADAEMP C[C@H](C(N)=[NH2+])[NH+]1CCCCCCC1 59184412 343342795 /nfs/dbraw/zinc/34/27/95/343342795.db2.gz BLXMMVODPJSOOS-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCCC[C@@H]1C 59187057 343342873 /nfs/dbraw/zinc/34/28/73/343342873.db2.gz FBLHIINYLVZNNP-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCC[C@@H]1C 59187057 343342874 /nfs/dbraw/zinc/34/28/74/343342874.db2.gz FBLHIINYLVZNNP-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)[C@H]1CCCC[C@H]1C 59184703 343342884 /nfs/dbraw/zinc/34/28/84/343342884.db2.gz FWEKWLFESZDTLJ-UTLUCORTSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)[C@H]1CCCC[C@H]1C 59184703 343342886 /nfs/dbraw/zinc/34/28/86/343342886.db2.gz FWEKWLFESZDTLJ-UTLUCORTSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[NH+]1CCCCCCC1 59187109 343342899 /nfs/dbraw/zinc/34/28/99/343342899.db2.gz OGOGXFQNBXOVFM-JTQLQIEISA-N 2 1 197.326 1.967 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](C)C1 59187062 343342929 /nfs/dbraw/zinc/34/29/29/343342929.db2.gz WZEQCRMKBOCEOR-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCC[C@H](C)C1 59187062 343342931 /nfs/dbraw/zinc/34/29/31/343342931.db2.gz WZEQCRMKBOCEOR-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[NH+]1CCCCCC1 59187069 343342940 /nfs/dbraw/zinc/34/29/40/343342940.db2.gz XLZLUEZTLSYGLA-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[NH+]1CCCCCC1 59187067 343342951 /nfs/dbraw/zinc/34/29/51/343342951.db2.gz XLZLUEZTLSYGLA-VIFPVBQESA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[NH+]1CCCCCCC1 59187111 343342998 /nfs/dbraw/zinc/34/29/98/343342998.db2.gz OGOGXFQNBXOVFM-SNVBAGLBSA-N 2 1 197.326 1.967 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCC[C@H](C)C1 59187064 343343014 /nfs/dbraw/zinc/34/30/14/343343014.db2.gz WZEQCRMKBOCEOR-DTWKUNHWSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCC[C@H](C)C1 59187064 343343016 /nfs/dbraw/zinc/34/30/16/343343016.db2.gz WZEQCRMKBOCEOR-DTWKUNHWSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCCC[C@@H]1C 59187059 343343023 /nfs/dbraw/zinc/34/30/23/343343023.db2.gz FBLHIINYLVZNNP-DTWKUNHWSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCCC[C@@H]1C 59187059 343343025 /nfs/dbraw/zinc/34/30/25/343343025.db2.gz FBLHIINYLVZNNP-DTWKUNHWSA-N 2 1 183.299 1.575 10 0 ADAEMP CC1CCC([N@@H+](C)[C@@H](C)C(N)=[NH2+])CC1 59184619 343343096 /nfs/dbraw/zinc/34/30/96/343343096.db2.gz MERDRIFLAMWZHN-KYHHOPLUSA-N 2 1 197.326 1.821 10 0 ADAEMP CC1CCC([N@H+](C)[C@@H](C)C(N)=[NH2+])CC1 59184619 343343098 /nfs/dbraw/zinc/34/30/98/343343098.db2.gz MERDRIFLAMWZHN-KYHHOPLUSA-N 2 1 197.326 1.821 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 60744085 343354475 /nfs/dbraw/zinc/35/44/75/343354475.db2.gz PNQJONKXUZRGAF-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 60744087 343354581 /nfs/dbraw/zinc/35/45/81/343354581.db2.gz PNQJONKXUZRGAF-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] 60720529 343354700 /nfs/dbraw/zinc/35/47/00/343354700.db2.gz NLHDHTMZMZXKMN-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]C(C)(C)C[N@H+]1CCC[C@H]1C 61319624 343356031 /nfs/dbraw/zinc/35/60/31/343356031.db2.gz XDWKRQUAQIUDDP-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]C(C)(C)C[N@H+]1CCC[C@@H]1C 61319625 343356122 /nfs/dbraw/zinc/35/61/22/343356122.db2.gz XDWKRQUAQIUDDP-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C1 62841770 343383079 /nfs/dbraw/zinc/38/30/79/343383079.db2.gz CRBMUOCVUIHHAM-LLVKDONJSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2(C)CC[NH2+]CC2)C1 62841771 343383106 /nfs/dbraw/zinc/38/31/06/343383106.db2.gz CRBMUOCVUIHHAM-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[N@@H+](C)CC1(C)CC[NH2+]CC1 62841647 343383121 /nfs/dbraw/zinc/38/31/21/343383121.db2.gz BETFUPWZXYKNSJ-UHFFFAOYSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(C)CC[NH2+]CC1 62841740 343383187 /nfs/dbraw/zinc/38/31/87/343383187.db2.gz LKFBEYRASULKOR-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(C)CC[NH2+]CC1 62841739 343383254 /nfs/dbraw/zinc/38/32/54/343383254.db2.gz LKFBEYRASULKOR-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C)CC1(C)CC[NH2+]CC1 62841676 343383343 /nfs/dbraw/zinc/38/33/43/343383343.db2.gz PTJRYNDIVZUOJX-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP CC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 62861885 343383639 /nfs/dbraw/zinc/38/36/39/343383639.db2.gz ULEBLVUOFZNQKA-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 62911339 343384516 /nfs/dbraw/zinc/38/45/16/343384516.db2.gz MDEKTYZCXJWHRC-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 62910733 343384579 /nfs/dbraw/zinc/38/45/79/343384579.db2.gz UVCBSEFEHZOPLQ-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@]1(C)CC[NH2+]C1 62910732 343384705 /nfs/dbraw/zinc/38/47/05/343384705.db2.gz UVCBSEFEHZOPLQ-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 62911340 343384729 /nfs/dbraw/zinc/38/47/29/343384729.db2.gz MDEKTYZCXJWHRC-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 62911504 343384779 /nfs/dbraw/zinc/38/47/79/343384779.db2.gz IWQYSHFWXCWFJM-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CC[C@@H](C)[NH2+]C1 62948744 343387003 /nfs/dbraw/zinc/38/70/03/343387003.db2.gz OSMBXWSSGHOJEN-VWYCJHECSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C)[NH2+]C1 62948746 343387063 /nfs/dbraw/zinc/38/70/63/343387063.db2.gz OSMBXWSSGHOJEN-OUAUKWLOSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[N@H+](C)[C@@H]1CC[C@H](C)[NH2+]C1 62948630 343387312 /nfs/dbraw/zinc/38/73/12/343387312.db2.gz MCXSEWFDVGAHCP-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[C@H](C)[NH2+]C1 62948630 343387314 /nfs/dbraw/zinc/38/73/14/343387314.db2.gz MCXSEWFDVGAHCP-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](C)C2)C[NH2+]1 62948760 343387333 /nfs/dbraw/zinc/38/73/33/343387333.db2.gz YLLAKCSMWLWGRQ-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+](C)[C@H]1CC[C@H](C)[NH2+]C1 62948631 343387345 /nfs/dbraw/zinc/38/73/45/343387345.db2.gz MCXSEWFDVGAHCP-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[C@H](C)[NH2+]C1 62948631 343387346 /nfs/dbraw/zinc/38/73/46/343387346.db2.gz MCXSEWFDVGAHCP-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CC[C@@H](C)[NH2+]C1 62949140 343387546 /nfs/dbraw/zinc/38/75/46/343387546.db2.gz XZRRJBMBORONFS-PSASIEDQSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1[nH+]cn([C@H]2CC[C@H](C)[NH2+]C2)c1C 62949167 343387677 /nfs/dbraw/zinc/38/76/77/343387677.db2.gz XSBKQQYWCUXEPX-KWQFWETISA-N 2 1 193.294 1.813 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[C@H](C)[NH2+]C2)c1C 62949166 343387691 /nfs/dbraw/zinc/38/76/91/343387691.db2.gz XSBKQQYWCUXEPX-GZMMTYOYSA-N 2 1 193.294 1.813 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CC[C@H](C)[NH2+]C1 62949138 343387800 /nfs/dbraw/zinc/38/78/00/343387800.db2.gz XZRRJBMBORONFS-WCBMZHEXSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CC[C@H](C)[NH2+]C1 62949139 343387833 /nfs/dbraw/zinc/38/78/33/343387833.db2.gz XZRRJBMBORONFS-WPRPVWTQSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1[nH+]cn([C@@H]2CC[C@@H](C)[NH2+]C2)c1C 62949168 343387882 /nfs/dbraw/zinc/38/78/82/343387882.db2.gz XSBKQQYWCUXEPX-LDYMZIIASA-N 2 1 193.294 1.813 10 0 ADAEMP [NH3+]CC[NH+]1CCC2(CCCC2)CC1 62951923 343388185 /nfs/dbraw/zinc/38/81/85/343388185.db2.gz WETIKNAPRQCLMN-UHFFFAOYSA-N 2 1 182.311 1.601 10 0 ADAEMP C[C@@H]([NH3+])C[NH+]1CCC2(CCCC2)CC1 62953576 343388227 /nfs/dbraw/zinc/38/82/27/343388227.db2.gz BDOQULAUNLFRIE-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(=[NH2+])N(C)[C@@H]1CCC[N@@H+](C)C1 62986851 343389125 /nfs/dbraw/zinc/38/91/25/343389125.db2.gz WPRUSNXHAXKWMS-SECBINFHSA-N 2 1 169.272 1.010 10 0 ADAEMP CC(=[NH2+])N(C)[C@H]1CCC[N@@H+](C)C1 62986852 343389546 /nfs/dbraw/zinc/38/95/46/343389546.db2.gz WPRUSNXHAXKWMS-VIFPVBQESA-N 2 1 169.272 1.010 10 0 ADAEMP CC[C@H](C)[NH+]1CCN(C(C)=[NH2+])CC1 62986864 343389920 /nfs/dbraw/zinc/38/99/20/343389920.db2.gz MJJNNPZRZRKAML-VIFPVBQESA-N 2 1 183.299 1.400 10 0 ADAEMP CC[C@@H](C)[NH+]1CCN(C(C)=[NH2+])CC1 62986863 343389949 /nfs/dbraw/zinc/38/99/49/343389949.db2.gz MJJNNPZRZRKAML-SECBINFHSA-N 2 1 183.299 1.400 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1CNC(C)=[NH2+] 62987050 343390000 /nfs/dbraw/zinc/39/00/00/343390000.db2.gz SOVZZCINTPVNDV-SECBINFHSA-N 2 1 169.272 1.057 10 0 ADAEMP CC(=[NH2+])N1CC[NH+](C2CCCC2)CC1 62987286 343390651 /nfs/dbraw/zinc/39/06/51/343390651.db2.gz NNKJHLIHSVCQMB-UHFFFAOYSA-N 2 1 195.310 1.544 10 0 ADAEMP CC[N@H+]1CCC[C@H](NC(C)=[NH2+])C1 62987388 343390666 /nfs/dbraw/zinc/39/06/66/343390666.db2.gz WVPAZMOYLJDHFY-VIFPVBQESA-N 2 1 169.272 1.057 10 0 ADAEMP CC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C 62987393 343390822 /nfs/dbraw/zinc/39/08/22/343390822.db2.gz DFKFDJBBALFTCI-VIFPVBQESA-N 2 1 169.272 1.057 10 0 ADAEMP CC(=[NH2+])N[C@H]1CC[N@H+]2CCCC[C@H]12 62987524 343391046 /nfs/dbraw/zinc/39/10/46/343391046.db2.gz GHSUMXVUYCDVFH-VHSXEESVSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@H+]2CCCC[C@H]12 62987523 343391112 /nfs/dbraw/zinc/39/11/12/343391112.db2.gz GHSUMXVUYCDVFH-NXEZZACHSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(=[NH2+])N1CCC[N@H+]2CCC[C@@H]2C1 62987642 343391244 /nfs/dbraw/zinc/39/12/44/343391244.db2.gz XOIUVFAXOGMURQ-SNVBAGLBSA-N 2 1 181.283 1.154 10 0 ADAEMP CC(=[NH2+])N1CC[NH+](C(C)(C)C)CC1 62987540 343391273 /nfs/dbraw/zinc/39/12/73/343391273.db2.gz FFSDRJVISURLQR-UHFFFAOYSA-N 2 1 183.299 1.400 10 0 ADAEMP CC(C)C(=[NH2+])N(C)[C@@H]1CCC[N@@H+](C)C1 62987677 343391276 /nfs/dbraw/zinc/39/12/76/343391276.db2.gz BIEQFXHTWVYKBB-SNVBAGLBSA-N 2 1 197.326 1.646 10 0 ADAEMP CC(C)C(=[NH2+])N(C)[C@H]1CCC[N@@H+](C)C1 62987678 343391561 /nfs/dbraw/zinc/39/15/61/343391561.db2.gz BIEQFXHTWVYKBB-JTQLQIEISA-N 2 1 197.326 1.646 10 0 ADAEMP CC(C)C(=[NH2+])N1CCC[N@@H+](C)CC1 62989523 343392320 /nfs/dbraw/zinc/39/23/20/343392320.db2.gz PZPNQCZAZXMGMS-UHFFFAOYSA-N 2 1 183.299 1.257 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1C[NH+]2CCC1CC2 62989180 343392332 /nfs/dbraw/zinc/39/23/32/343392332.db2.gz PGKXCVFMIFGTSA-JTQLQIEISA-N 2 1 195.310 1.303 10 0 ADAEMP C[N@H+]1CCCN(C(=[NH2+])C2CC2)CC1 62989524 343392355 /nfs/dbraw/zinc/39/23/55/343392355.db2.gz DZCRAWXBOYFKPY-UHFFFAOYSA-N 2 1 181.283 1.011 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1C[NH+]2CCC1CC2 62989177 343392455 /nfs/dbraw/zinc/39/24/55/343392455.db2.gz CKOIZHJHNFCMDY-SNVBAGLBSA-N 2 1 195.310 1.448 10 0 ADAEMP CCC(=[NH2+])N[C@H]1C[NH+]2CCC1CC2 62989176 343392469 /nfs/dbraw/zinc/39/24/69/343392469.db2.gz LIEJAMVRPWMHOZ-VIFPVBQESA-N 2 1 181.283 1.057 10 0 ADAEMP [NH2+]=C(N[C@@H]1C[NH+]2CCC1CC2)C1CC1 62989181 343392488 /nfs/dbraw/zinc/39/24/88/343392488.db2.gz NWOOZMVLGPQAAG-SNVBAGLBSA-N 2 1 193.294 1.057 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1C[NH+]2CCC1CC2 62989178 343392492 /nfs/dbraw/zinc/39/24/92/343392492.db2.gz CKOIZHJHNFCMDY-JTQLQIEISA-N 2 1 195.310 1.448 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H]1C[NH+]2CCC1CC2 62989179 343392549 /nfs/dbraw/zinc/39/25/49/343392549.db2.gz PGKXCVFMIFGTSA-SNVBAGLBSA-N 2 1 195.310 1.303 10 0 ADAEMP C[N@H+]1CCCN(C(=[NH2+])C(C)(C)C)CC1 62989525 343392563 /nfs/dbraw/zinc/39/25/63/343392563.db2.gz YOEXVZYFVIFUFA-UHFFFAOYSA-N 2 1 197.326 1.647 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1C[NH+]2CCC1CC2 62989175 343392617 /nfs/dbraw/zinc/39/26/17/343392617.db2.gz LIEJAMVRPWMHOZ-SECBINFHSA-N 2 1 181.283 1.057 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 62990964 343393545 /nfs/dbraw/zinc/39/35/45/343393545.db2.gz UMXHJTOSQMYLFX-VIFPVBQESA-N 2 1 183.299 1.161 10 0 ADAEMP C[N@H+]1CC[C@H](CNC(=[NH2+])C(C)(C)C)C1 62990968 343393648 /nfs/dbraw/zinc/39/36/48/343393648.db2.gz VTRBQFLJKMRGOC-SECBINFHSA-N 2 1 197.326 1.551 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 62990965 343393709 /nfs/dbraw/zinc/39/37/09/343393709.db2.gz UMXHJTOSQMYLFX-SECBINFHSA-N 2 1 183.299 1.161 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CCC[N@H+](C)C1 62991438 343394011 /nfs/dbraw/zinc/39/40/11/343394011.db2.gz HAJTUEUCAKJVOZ-QMMMGPOBSA-N 2 1 169.272 1.057 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CCC[N@@H+](C)C1 62991438 343394012 /nfs/dbraw/zinc/39/40/12/343394012.db2.gz HAJTUEUCAKJVOZ-QMMMGPOBSA-N 2 1 169.272 1.057 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1CCC[N@H+](C)C1 62991440 343394047 /nfs/dbraw/zinc/39/40/47/343394047.db2.gz RCKUSBHGHTZVED-VIFPVBQESA-N 2 1 183.299 1.448 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1CCC[N@@H+](C)C1 62991440 343394049 /nfs/dbraw/zinc/39/40/49/343394049.db2.gz RCKUSBHGHTZVED-VIFPVBQESA-N 2 1 183.299 1.448 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1CCC[N@H+](C)C1 62991439 343394068 /nfs/dbraw/zinc/39/40/68/343394068.db2.gz RCKUSBHGHTZVED-SECBINFHSA-N 2 1 183.299 1.448 10 0 ADAEMP CCCC(=[NH2+])N[C@@H]1CCC[N@@H+](C)C1 62991439 343394070 /nfs/dbraw/zinc/39/40/70/343394070.db2.gz RCKUSBHGHTZVED-SECBINFHSA-N 2 1 183.299 1.448 10 0 ADAEMP C[N@@H+]1CCC[C@H](NC(=[NH2+])C2CC2)C1 62991443 343394084 /nfs/dbraw/zinc/39/40/84/343394084.db2.gz KONSLSMNZJCEHX-VIFPVBQESA-N 2 1 181.283 1.057 10 0 ADAEMP C[N@H+]1CCC[C@H](NC(=[NH2+])C2CC2)C1 62991443 343394086 /nfs/dbraw/zinc/39/40/86/343394086.db2.gz KONSLSMNZJCEHX-VIFPVBQESA-N 2 1 181.283 1.057 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1CCC[N@H+](C)C1 62991442 343394116 /nfs/dbraw/zinc/39/41/16/343394116.db2.gz ZVLMMBAXOGGDHV-VIFPVBQESA-N 2 1 183.299 1.303 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1CCC[N@@H+](C)C1 62991442 343394118 /nfs/dbraw/zinc/39/41/18/343394118.db2.gz ZVLMMBAXOGGDHV-VIFPVBQESA-N 2 1 183.299 1.303 10 0 ADAEMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])C(C)(C)C)C1 62991444 343394136 /nfs/dbraw/zinc/39/41/36/343394136.db2.gz BQPTYVCRKGTOHG-SECBINFHSA-N 2 1 197.326 1.694 10 0 ADAEMP C[N@H+]1CCC[C@@H](NC(=[NH2+])C(C)(C)C)C1 62991444 343394139 /nfs/dbraw/zinc/39/41/39/343394139.db2.gz BQPTYVCRKGTOHG-SECBINFHSA-N 2 1 197.326 1.694 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@H]12 62992608 343394513 /nfs/dbraw/zinc/39/45/13/343394513.db2.gz QVPBLSDKGPIHNB-RKDXNWHRSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H]1CC[N@@H+](C2CC2)C1 62992500 343394500 /nfs/dbraw/zinc/39/45/00/343394500.db2.gz QRYCLGKOTVNGQN-SECBINFHSA-N 2 1 195.310 1.446 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H]1CC[N@H+](C2CC2)C1 62992500 343394501 /nfs/dbraw/zinc/39/45/01/343394501.db2.gz QRYCLGKOTVNGQN-SECBINFHSA-N 2 1 195.310 1.446 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@H]12 62992613 343394503 /nfs/dbraw/zinc/39/45/03/343394503.db2.gz BLXGEWNTSOANPG-VHSXEESVSA-N 2 1 195.310 1.446 10 0 ADAEMP CC(C)C(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@H]12 62992612 343394510 /nfs/dbraw/zinc/39/45/10/343394510.db2.gz BLXGEWNTSOANPG-NXEZZACHSA-N 2 1 195.310 1.446 10 0 ADAEMP C[N@@H+]1CC[C@H](NC(=[NH2+])C2CCCC2)C1 62992739 343394621 /nfs/dbraw/zinc/39/46/21/343394621.db2.gz CAGBRDRNZFRZMV-JTQLQIEISA-N 2 1 195.310 1.448 10 0 ADAEMP C[N@H+]1CC[C@H](NC(=[NH2+])C2CCCC2)C1 62992739 343394622 /nfs/dbraw/zinc/39/46/22/343394622.db2.gz CAGBRDRNZFRZMV-JTQLQIEISA-N 2 1 195.310 1.448 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@H]1CCCC[N@@H+]1C 62992201 343394636 /nfs/dbraw/zinc/39/46/36/343394636.db2.gz ZLGVPJBLRHICCS-SNVBAGLBSA-N 2 1 197.326 1.694 10 0 ADAEMP CC(C)C(=[NH2+])NC[C@H]1CCCC[N@H+]1C 62992201 343394637 /nfs/dbraw/zinc/39/46/37/343394637.db2.gz ZLGVPJBLRHICCS-SNVBAGLBSA-N 2 1 197.326 1.694 10 0 ADAEMP C[N@@H+]1CC[C@@H](NC(=[NH2+])C(C)(C)C)C1 62992737 343394656 /nfs/dbraw/zinc/39/46/56/343394656.db2.gz LAFNLNXOJYFNIJ-MRVPVSSYSA-N 2 1 183.299 1.303 10 0 ADAEMP C[N@H+]1CC[C@@H](NC(=[NH2+])C(C)(C)C)C1 62992737 343394657 /nfs/dbraw/zinc/39/46/57/343394657.db2.gz LAFNLNXOJYFNIJ-MRVPVSSYSA-N 2 1 183.299 1.303 10 0 ADAEMP C[N@H+]1CCC[C@H](CNC(=[NH2+])C2CC2)C1 62992132 343394665 /nfs/dbraw/zinc/39/46/65/343394665.db2.gz UKVSKMYPAILMIW-SECBINFHSA-N 2 1 195.310 1.305 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CCC[N@H+](CC)C1 62992155 343394673 /nfs/dbraw/zinc/39/46/73/343394673.db2.gz MZHULKFSEICVBQ-VIFPVBQESA-N 2 1 183.299 1.448 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@@H+](C2CC2)C1 62992496 343394680 /nfs/dbraw/zinc/39/46/80/343394680.db2.gz OIDGFCLYVASBJH-MRVPVSSYSA-N 2 1 181.283 1.200 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@H+](C2CC2)C1 62992496 343394682 /nfs/dbraw/zinc/39/46/82/343394682.db2.gz OIDGFCLYVASBJH-MRVPVSSYSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1CC[N@@H+](C2CC2)C1 62992501 343394686 /nfs/dbraw/zinc/39/46/86/343394686.db2.gz QRYCLGKOTVNGQN-VIFPVBQESA-N 2 1 195.310 1.446 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1CC[N@H+](C2CC2)C1 62992501 343394688 /nfs/dbraw/zinc/39/46/88/343394688.db2.gz QRYCLGKOTVNGQN-VIFPVBQESA-N 2 1 195.310 1.446 10 0 ADAEMP CCC(=[NH2+])N1CCC[N@H+]2CCC[C@@H]2C1 62994288 343395037 /nfs/dbraw/zinc/39/50/37/343395037.db2.gz MCTQDFFYZSIRLY-SNVBAGLBSA-N 2 1 195.310 1.544 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@H+]2CCCC[C@H]12 62993317 343395087 /nfs/dbraw/zinc/39/50/87/343395087.db2.gz ISZRZQQIXOOJJV-NXEZZACHSA-N 2 1 195.310 1.590 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccoc2)C1 63048080 343398266 /nfs/dbraw/zinc/39/82/66/343398266.db2.gz WOTBJCQEVKQDGQ-SNVBAGLBSA-N 2 1 194.278 1.450 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccoc2)C1 63048080 343398269 /nfs/dbraw/zinc/39/82/69/343398269.db2.gz WOTBJCQEVKQDGQ-SNVBAGLBSA-N 2 1 194.278 1.450 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccoc2)C1 63048081 343398406 /nfs/dbraw/zinc/39/84/06/343398406.db2.gz WOTBJCQEVKQDGQ-JTQLQIEISA-N 2 1 194.278 1.450 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 63048081 343398407 /nfs/dbraw/zinc/39/84/07/343398407.db2.gz WOTBJCQEVKQDGQ-JTQLQIEISA-N 2 1 194.278 1.450 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCCC1(C)C 63066899 343399505 /nfs/dbraw/zinc/39/95/05/343399505.db2.gz ORHJJGPTQNGOOU-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[NH2+]CC[N@H+]1CCCC1(C)C 63066851 343399578 /nfs/dbraw/zinc/39/95/78/343399578.db2.gz WZMNKYWTWHWIEO-UHFFFAOYSA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCCC1(C)C 63066048 343399587 /nfs/dbraw/zinc/39/95/87/343399587.db2.gz UOOVSWIXKBNEPH-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCCC1(C)C 63066898 343399673 /nfs/dbraw/zinc/39/96/73/343399673.db2.gz ORHJJGPTQNGOOU-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCCC1(C)C 63066049 343399718 /nfs/dbraw/zinc/39/97/18/343399718.db2.gz UOOVSWIXKBNEPH-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC1(C)CCC[N@H+]1CCC[NH3+] 63066095 343399857 /nfs/dbraw/zinc/39/98/57/343399857.db2.gz SNSFWSBQAZMXMN-UHFFFAOYSA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCCC1(C)C 63067423 343400332 /nfs/dbraw/zinc/40/03/32/343400332.db2.gz BHEPSVIXNVQJDW-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1CCCC1(C)C 63067420 343400382 /nfs/dbraw/zinc/40/03/82/343400382.db2.gz XZDUWJQNZGCMTN-SSDOTTSWSA-N 2 1 169.272 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1CCCC1(C)C 63067420 343400385 /nfs/dbraw/zinc/40/03/85/343400385.db2.gz XZDUWJQNZGCMTN-SSDOTTSWSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCC1(C)C 63067422 343400429 /nfs/dbraw/zinc/40/04/29/343400429.db2.gz BHEPSVIXNVQJDW-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H](CC(N)=[NH2+])[N@H+]1CCCC1(C)C 63067415 343400522 /nfs/dbraw/zinc/40/05/22/343400522.db2.gz FXQBWCXIPBTNGK-MRVPVSSYSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H](C[N@H+]1CCCC1(C)C)C(N)=[NH2+] 63067413 343400550 /nfs/dbraw/zinc/40/05/50/343400550.db2.gz JQVFKERTJYCCGN-MRVPVSSYSA-N 2 1 183.299 1.433 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 63067293 343400558 /nfs/dbraw/zinc/40/05/58/343400558.db2.gz GNKAUHDTYXCKKO-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCC1(C)C 63067419 343400641 /nfs/dbraw/zinc/40/06/41/343400641.db2.gz XZDUWJQNZGCMTN-ZETCQYMHSA-N 2 1 169.272 1.185 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCCC1(C)C 63067414 343400650 /nfs/dbraw/zinc/40/06/50/343400650.db2.gz FXQBWCXIPBTNGK-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP CC1(C)CCC[N@H+]1CC1CC[NH2+]CC1 63067307 343400674 /nfs/dbraw/zinc/40/06/74/343400674.db2.gz ZFPLFQFBGQDZCA-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1CC[NH2+]C1 63067294 343400715 /nfs/dbraw/zinc/40/07/15/343400715.db2.gz GNKAUHDTYXCKKO-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CC1(C)CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 63073518 343400924 /nfs/dbraw/zinc/40/09/24/343400924.db2.gz NQHGTGIVPJDYOD-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1CCC[C@@H]1[NH3+] 63073267 343400949 /nfs/dbraw/zinc/40/09/49/343400949.db2.gz GIIJVZPRQMHCPY-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 63073266 343401023 /nfs/dbraw/zinc/40/10/23/343401023.db2.gz GIIJVZPRQMHCPY-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 63073519 343401123 /nfs/dbraw/zinc/40/11/23/343401123.db2.gz NQHGTGIVPJDYOD-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1ccc(NCC[C@@H](C)[NH3+])[nH+]c1 63171636 343403905 /nfs/dbraw/zinc/40/39/05/343403905.db2.gz VIEKFLBRIILKRJ-SECBINFHSA-N 2 1 179.267 1.539 10 0 ADAEMP Cc1ccc(NCC[C@H](C)[NH3+])[nH+]c1 63171637 343404012 /nfs/dbraw/zinc/40/40/12/343404012.db2.gz VIEKFLBRIILKRJ-VIFPVBQESA-N 2 1 179.267 1.539 10 0 ADAEMP Cc1cc(NCC[C@H](C)[NH3+])nc(C)[nH+]1 63171665 343404064 /nfs/dbraw/zinc/40/40/64/343404064.db2.gz LQLSLLSUWWUVOE-ZETCQYMHSA-N 2 1 194.282 1.243 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]CCCc1ccccc1 64873896 343407562 /nfs/dbraw/zinc/40/75/62/343407562.db2.gz JHRNRBTWECSPJS-LLVKDONJSA-N 2 1 192.306 1.556 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]CCCc1ccccc1 64873895 343407647 /nfs/dbraw/zinc/40/76/47/343407647.db2.gz JHRNRBTWECSPJS-NSHDSACASA-N 2 1 192.306 1.556 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@H]([NH3+])C1CC1 68894709 343414045 /nfs/dbraw/zinc/41/40/45/343414045.db2.gz FMIBTBLLZOZFTP-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](C2CCC2)C1 68954801 343417115 /nfs/dbraw/zinc/41/71/15/343417115.db2.gz LMZGMOLKCIVJIE-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C2CCC2)C1 68954801 343417117 /nfs/dbraw/zinc/41/71/17/343417117.db2.gz LMZGMOLKCIVJIE-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](C2CCC2)C1 68954796 343417283 /nfs/dbraw/zinc/41/72/83/343417283.db2.gz LMZGMOLKCIVJIE-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C2CCC2)C1 68954796 343417285 /nfs/dbraw/zinc/41/72/85/343417285.db2.gz LMZGMOLKCIVJIE-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CSCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 69012069 343420574 /nfs/dbraw/zinc/42/05/74/343420574.db2.gz WYJMSZZREJPCLU-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP CSCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 69012071 343420741 /nfs/dbraw/zinc/42/07/41/343420741.db2.gz WYJMSZZREJPCLU-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CCC(C)(C)[N@@H+](C)C1CC[NH2+]CC1 68998322 343420849 /nfs/dbraw/zinc/42/08/49/343420849.db2.gz UJDZCMAOGFVFQE-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+](C2CCCC2)C1 69626409 343427618 /nfs/dbraw/zinc/42/76/18/343427618.db2.gz ILILTUHQVFZOOW-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 69666561 343431741 /nfs/dbraw/zinc/43/17/41/343431741.db2.gz YYAAGNNUPHMJBO-SCVCMEIPSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 69718148 343435554 /nfs/dbraw/zinc/43/55/54/343435554.db2.gz IUBIBXDJUIMNKO-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718430 343435587 /nfs/dbraw/zinc/43/55/87/343435587.db2.gz HSXBNDQILUNSAQ-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1[NH3+] 69718130 343435701 /nfs/dbraw/zinc/43/57/01/343435701.db2.gz VWRSVFNKOKXVKN-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718431 343435739 /nfs/dbraw/zinc/43/57/39/343435739.db2.gz HSXBNDQILUNSAQ-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1CC[N@H+](C2CCC2)C[C@@H]1[NH3+] 69718131 343435754 /nfs/dbraw/zinc/43/57/54/343435754.db2.gz VWRSVFNKOKXVKN-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 69718212 343435816 /nfs/dbraw/zinc/43/58/16/343435816.db2.gz SRONFJIUDMTGPX-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 69718210 343435829 /nfs/dbraw/zinc/43/58/29/343435829.db2.gz SRONFJIUDMTGPX-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 69718150 343436015 /nfs/dbraw/zinc/43/60/15/343436015.db2.gz IUBIBXDJUIMNKO-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP [NH3+]CC[C@H]1CCCC[N@H+]1C1CCC1 69720635 343437226 /nfs/dbraw/zinc/43/72/26/343437226.db2.gz OISGSWLUJABEDK-LLVKDONJSA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1C1CCC1 69720633 343437272 /nfs/dbraw/zinc/43/72/72/343437272.db2.gz OISGSWLUJABEDK-NSHDSACASA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+]CC[C@H]1CCC[N@H+](C2CCC2)C1 69723951 343437500 /nfs/dbraw/zinc/43/75/00/343437500.db2.gz IWKOXVBFCQVZQM-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C/C=C/C[N@@H+]1[C@H](C)CCC[C@@H]1C[NH3+] 69723263 343437945 /nfs/dbraw/zinc/43/79/45/343437945.db2.gz VJXPRPJYDZEARY-YIZUVKHSSA-N 2 1 182.311 1.764 10 0 ADAEMP C/C=C/C[N@H+]1[C@H](C)CCC[C@@H]1C[NH3+] 69723263 343437947 /nfs/dbraw/zinc/43/79/47/343437947.db2.gz VJXPRPJYDZEARY-YIZUVKHSSA-N 2 1 182.311 1.764 10 0 ADAEMP [NH3+]CC[C@@H]1CCC[N@H+](C2CCC2)C1 69723952 343437976 /nfs/dbraw/zinc/43/79/76/343437976.db2.gz IWKOXVBFCQVZQM-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C1CCC1 69727622 343438023 /nfs/dbraw/zinc/43/80/23/343438023.db2.gz WZKUOEUGFNVYSP-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CCCC1 69727952 343438174 /nfs/dbraw/zinc/43/81/74/343438174.db2.gz RQMIYDDXDAMHHE-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C1CCCC1 69727948 343438305 /nfs/dbraw/zinc/43/83/05/343438305.db2.gz RQMIYDDXDAMHHE-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CCCC1 69727951 343438405 /nfs/dbraw/zinc/43/84/05/343438405.db2.gz RQMIYDDXDAMHHE-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CCC1 69727626 343438440 /nfs/dbraw/zinc/43/84/40/343438440.db2.gz WZKUOEUGFNVYSP-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C1CCCC1 69727945 343438506 /nfs/dbraw/zinc/43/85/06/343438506.db2.gz RQMIYDDXDAMHHE-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C1CCC1 69727620 343438585 /nfs/dbraw/zinc/43/85/85/343438585.db2.gz WZKUOEUGFNVYSP-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCSC[C@@H]1C 69760701 343439217 /nfs/dbraw/zinc/43/92/17/343439217.db2.gz MPAWDKJIDREKHA-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCSC[C@H]1C 69760700 343439277 /nfs/dbraw/zinc/43/92/77/343439277.db2.gz MPAWDKJIDREKHA-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCSC[C@H]1C 69762582 343439977 /nfs/dbraw/zinc/43/99/77/343439977.db2.gz IWJBNDBCUYHILS-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CSCC[N@@H+]1CC[C@@H](C)[NH3+] 69762584 343440102 /nfs/dbraw/zinc/44/01/02/343440102.db2.gz IWJBNDBCUYHILS-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCCC(C)(C)C1 69792846 343441481 /nfs/dbraw/zinc/44/14/81/343441481.db2.gz QLNWUTKKSITWGP-SNVBAGLBSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CC12CC[NH2+]CC2 69792464 343441671 /nfs/dbraw/zinc/44/16/71/343441671.db2.gz DDFPAMXVAWDQEY-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCCC(C)(C)C1 69792858 343441711 /nfs/dbraw/zinc/44/17/11/343441711.db2.gz AKHRTIKWGGLOSP-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCCC(C)(C)C1 69792860 343441796 /nfs/dbraw/zinc/44/17/96/343441796.db2.gz AKHRTIKWGGLOSP-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH3+])C[N@H+]1CCCC(C)(C)C1 69792844 343441835 /nfs/dbraw/zinc/44/18/35/343441835.db2.gz QLNWUTKKSITWGP-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CC12CC[NH2+]CC2 69792465 343441891 /nfs/dbraw/zinc/44/18/91/343441891.db2.gz DDFPAMXVAWDQEY-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1(C)CCC[N@H+](C2CC[NH2+]CC2)C1 69793403 343441940 /nfs/dbraw/zinc/44/19/40/343441940.db2.gz JBOHBSPVBUOSBA-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC12CC[NH2+]CC2 69792477 343441956 /nfs/dbraw/zinc/44/19/56/343441956.db2.gz ONKNMPFDMMISED-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CC12CC[NH2+]CC2 69792479 343442002 /nfs/dbraw/zinc/44/20/02/343442002.db2.gz ONKNMPFDMMISED-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H](C[N@H+]1CCCC(C)(C)C1)C(N)=[NH2+] 69793450 343442123 /nfs/dbraw/zinc/44/21/23/343442123.db2.gz YGQSWXMAQQDBRH-VIFPVBQESA-N 2 1 197.326 1.680 10 0 ADAEMP C[C@H](CC(N)=[NH2+])[N@H+]1CCCC(C)(C)C1 69793455 343442171 /nfs/dbraw/zinc/44/21/71/343442171.db2.gz STLWJVRYAKCBDC-SECBINFHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@H](C[N@H+]1CCCC(C)(C)C1)C(N)=[NH2+] 69793452 343442183 /nfs/dbraw/zinc/44/21/83/343442183.db2.gz YGQSWXMAQQDBRH-SECBINFHSA-N 2 1 197.326 1.680 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1CCCC(C)(C)C1 69793453 343442218 /nfs/dbraw/zinc/44/22/18/343442218.db2.gz STLWJVRYAKCBDC-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP CC1(C)CCC[N@@H+](CCC(N)=[NH2+])C1 69793434 343442261 /nfs/dbraw/zinc/44/22/61/343442261.db2.gz RIVDUPIOZPDJSZ-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccsc1 69796113 343442792 /nfs/dbraw/zinc/44/27/92/343442792.db2.gz OCDUDSKZBJEUFP-WCBMZHEXSA-N 2 1 196.319 1.700 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccco1 69796838 343442803 /nfs/dbraw/zinc/44/28/03/343442803.db2.gz GFUXMJBJTCLNTQ-KOLCDFICSA-N 2 1 194.278 1.492 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccco1 69796838 343442807 /nfs/dbraw/zinc/44/28/07/343442807.db2.gz GFUXMJBJTCLNTQ-KOLCDFICSA-N 2 1 194.278 1.492 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccnc1 69796035 343442811 /nfs/dbraw/zinc/44/28/11/343442811.db2.gz IUMCSWXAFXSTAI-MWLCHTKSSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccncc1 69796228 343442868 /nfs/dbraw/zinc/44/28/68/343442868.db2.gz WBVIUVSHYDUTHK-QWRGUYRKSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccsc1 69796111 343442887 /nfs/dbraw/zinc/44/28/87/343442887.db2.gz OCDUDSKZBJEUFP-PSASIEDQSA-N 2 1 196.319 1.700 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccco1 69796836 343442944 /nfs/dbraw/zinc/44/29/44/343442944.db2.gz GFUXMJBJTCLNTQ-ONGXEEELSA-N 2 1 194.278 1.492 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccco1 69796836 343442947 /nfs/dbraw/zinc/44/29/47/343442947.db2.gz GFUXMJBJTCLNTQ-ONGXEEELSA-N 2 1 194.278 1.492 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccccn1 69796256 343442986 /nfs/dbraw/zinc/44/29/86/343442986.db2.gz CRPSERPEOGWNRW-MWLCHTKSSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccco1 69796185 343443043 /nfs/dbraw/zinc/44/30/43/343443043.db2.gz DGWQVDLXYVSFCG-PSASIEDQSA-N 2 1 180.251 1.231 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccncc1 69796226 343443138 /nfs/dbraw/zinc/44/31/38/343443138.db2.gz WBVIUVSHYDUTHK-MNOVXSKESA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccccn1 69796257 343443206 /nfs/dbraw/zinc/44/32/06/343443206.db2.gz CRPSERPEOGWNRW-GXSJLCMTSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccco1 69796187 343443351 /nfs/dbraw/zinc/44/33/51/343443351.db2.gz DGWQVDLXYVSFCG-WCBMZHEXSA-N 2 1 180.251 1.231 10 0 ADAEMP CC(C)[C@H]([NH3+])c1c[nH+]ccc1N 69845048 343446886 /nfs/dbraw/zinc/44/68/86/343446886.db2.gz OXWWFVMJRHLDFK-VIFPVBQESA-N 2 1 165.240 1.320 10 0 ADAEMP Nc1cc[nH+]cc1[C@@H]([NH3+])C1CC1 69845110 343447230 /nfs/dbraw/zinc/44/72/30/343447230.db2.gz AHDNZXZSTNYLDZ-VIFPVBQESA-N 2 1 163.224 1.074 10 0 ADAEMP Nc1cc[nH+]cc1[C@H]([NH3+])C1CC1 69845109 343447287 /nfs/dbraw/zinc/44/72/87/343447287.db2.gz AHDNZXZSTNYLDZ-SECBINFHSA-N 2 1 163.224 1.074 10 0 ADAEMP CC[C@H]([NH3+])c1c[nH+]ccc1N 69845079 343447301 /nfs/dbraw/zinc/44/73/01/343447301.db2.gz CXLQXMRWNQSXGA-ZETCQYMHSA-N 2 1 151.213 1.074 10 0 ADAEMP CC[C@@H]([NH2+]C)c1c[nH+]ccc1N 69845239 343447324 /nfs/dbraw/zinc/44/73/24/343447324.db2.gz FQBDTWOQUJSECT-SECBINFHSA-N 2 1 165.240 1.334 10 0 ADAEMP CCC[C@@H]([NH3+])c1c[nH+]ccc1N 69845098 343447520 /nfs/dbraw/zinc/44/75/20/343447520.db2.gz KROFQBSKHGMBEJ-MRVPVSSYSA-N 2 1 165.240 1.464 10 0 ADAEMP C[NH2+][C@@H](c1c[nH+]ccc1N)C1CC1 69845319 343447533 /nfs/dbraw/zinc/44/75/33/343447533.db2.gz UFAOKAKRTQTCFC-SNVBAGLBSA-N 2 1 177.251 1.334 10 0 ADAEMP CC(C)(C)[C@H]([NH3+])c1c[nH+]ccc1N 69845116 343447537 /nfs/dbraw/zinc/44/75/37/343447537.db2.gz XEZCLDMHIXSOLO-SECBINFHSA-N 2 1 179.267 1.710 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])c1c[nH+]ccc1N 69845117 343447550 /nfs/dbraw/zinc/44/75/50/343447550.db2.gz XEZCLDMHIXSOLO-VIFPVBQESA-N 2 1 179.267 1.710 10 0 ADAEMP CC1(C)C[C@](C[NH3+])([NH2+]C2CC2)CCO1 69892557 343451586 /nfs/dbraw/zinc/45/15/86/343451586.db2.gz QZZFMSBJNVXBHC-LLVKDONJSA-N 2 1 198.310 1.025 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1[C@@H](C)C(N)=[NH2+] 69945145 343459023 /nfs/dbraw/zinc/45/90/23/343459023.db2.gz YHTOSWCQYREYHX-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@H]1CCCCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 69945145 343459025 /nfs/dbraw/zinc/45/90/25/343459025.db2.gz YHTOSWCQYREYHX-IUCAKERBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@H]1C 69945144 343459035 /nfs/dbraw/zinc/45/90/35/343459035.db2.gz YHTOSWCQYREYHX-BDAKNGLRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCCCC[C@@H]1C 69945148 343459098 /nfs/dbraw/zinc/45/90/98/343459098.db2.gz XXRYPWZLPPLTTM-VHSXEESVSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCCCC[C@@H]1C 69945148 343459101 /nfs/dbraw/zinc/45/91/01/343459101.db2.gz XXRYPWZLPPLTTM-VHSXEESVSA-N 2 1 197.326 1.965 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1CCCCC[C@H]1C 69944402 343459126 /nfs/dbraw/zinc/45/91/26/343459126.db2.gz KDOLBSTVHOPXFK-MNOVXSKESA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CCCCC[N@@H+]1C[C@@H](C)C(N)=[NH2+] 69945132 343459230 /nfs/dbraw/zinc/45/92/30/343459230.db2.gz VKCKWHRCTUGEHS-ZJUUUORDSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1CCC(N)=[NH2+] 69945129 343459256 /nfs/dbraw/zinc/45/92/56/343459256.db2.gz CLXMLFCMHAFPSO-VIFPVBQESA-N 2 1 183.299 1.577 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1CCC(N)=[NH2+] 69945128 343459325 /nfs/dbraw/zinc/45/93/25/343459325.db2.gz CLXMLFCMHAFPSO-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H]1CC[NH2+]C1 69964138 343461033 /nfs/dbraw/zinc/46/10/33/343461033.db2.gz YXUPTHCRAAPSTH-SECBINFHSA-N 2 1 179.267 1.370 10 0 ADAEMP CCCc1[nH+]ccn1[C@H]1CC[NH2+]C1 69964140 343461255 /nfs/dbraw/zinc/46/12/55/343461255.db2.gz YXUPTHCRAAPSTH-VIFPVBQESA-N 2 1 179.267 1.370 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 70045666 343468829 /nfs/dbraw/zinc/46/88/29/343468829.db2.gz IEHDFTSDTPBDSZ-GRYCIOLGSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CCCC1(C)C 70046190 343468839 /nfs/dbraw/zinc/46/88/39/343468839.db2.gz AFGYMRJWOKUFEP-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@H+]1CCCC1(C)C 70046191 343468871 /nfs/dbraw/zinc/46/88/71/343468871.db2.gz AFGYMRJWOKUFEP-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045664 343468887 /nfs/dbraw/zinc/46/88/87/343468887.db2.gz IEHDFTSDTPBDSZ-SRVKXCTJSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[NH2+]C[C@H]1C 70045663 343468983 /nfs/dbraw/zinc/46/89/83/343468983.db2.gz IEHDFTSDTPBDSZ-WOPDTQHZSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[NH2+]C[C@@H]1C 70045560 343469057 /nfs/dbraw/zinc/46/90/57/343469057.db2.gz KPZBXPGXDUWNLU-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[NH2+]C[C@H]1C 70045517 343469067 /nfs/dbraw/zinc/46/90/67/343469067.db2.gz ZZGDBRWOBXZFBR-ZJUUUORDSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CC[C@@H](C)C1 70045756 343469087 /nfs/dbraw/zinc/46/90/87/343469087.db2.gz CINOQYYQPCWTKY-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045667 343469105 /nfs/dbraw/zinc/46/91/05/343469105.db2.gz IEHDFTSDTPBDSZ-SDDRHHMPSA-N 2 1 198.354 1.961 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045522 343469115 /nfs/dbraw/zinc/46/91/15/343469115.db2.gz ZZGDBRWOBXZFBR-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCCC1(C)C 70046193 343469150 /nfs/dbraw/zinc/46/91/50/343469150.db2.gz AFGYMRJWOKUFEP-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 70045520 343469183 /nfs/dbraw/zinc/46/91/83/343469183.db2.gz ZZGDBRWOBXZFBR-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[NH2+]C[C@@H]1C 70045518 343469194 /nfs/dbraw/zinc/46/91/94/343469194.db2.gz ZZGDBRWOBXZFBR-UWVGGRQHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[NH2+]C[C@@H]1C 70045558 343469222 /nfs/dbraw/zinc/46/92/22/343469222.db2.gz KPZBXPGXDUWNLU-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCC[C@@H](C)C1 70045497 343469256 /nfs/dbraw/zinc/46/92/56/343469256.db2.gz XHFGHCZMJJPIGD-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@@H]1C 70045592 343469278 /nfs/dbraw/zinc/46/92/78/343469278.db2.gz IPXQKVJVHBXFEY-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1CC[NH2+]C[C@@H]1C 70046952 343469445 /nfs/dbraw/zinc/46/94/45/343469445.db2.gz ADHYXLJYIZFYCD-WCBMZHEXSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1CC[NH2+]C[C@H]1C 70046958 343469468 /nfs/dbraw/zinc/46/94/68/343469468.db2.gz ADHYXLJYIZFYCD-SCZZXKLOSA-N 2 1 179.267 1.362 10 0 ADAEMP 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/nfs/dbraw/zinc/46/97/45/343469745.db2.gz XNABKNYAGLUMOJ-UWVGGRQHSA-N 2 1 193.294 1.616 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[NH2+]C[C@H]1C 70046985 343469790 /nfs/dbraw/zinc/46/97/90/343469790.db2.gz XNABKNYAGLUMOJ-ZJUUUORDSA-N 2 1 193.294 1.616 10 0 ADAEMP Cc1c[nH+]ccc1OC[C@H]1CC[NH2+]C1 70047845 343470056 /nfs/dbraw/zinc/47/00/56/343470056.db2.gz VKKZCQNVJNWWII-JTQLQIEISA-N 2 1 192.262 1.378 10 0 ADAEMP Cc1c[nH+]ccc1OC[C@@H]1CCC[NH2+]1 70047809 343470182 /nfs/dbraw/zinc/47/01/82/343470182.db2.gz NEOVQHPSIVACAI-JTQLQIEISA-N 2 1 192.262 1.521 10 0 ADAEMP Cc1c[nH+]ccc1OC[C@H]1CCC[NH2+]1 70047810 343470219 /nfs/dbraw/zinc/47/02/19/343470219.db2.gz NEOVQHPSIVACAI-SNVBAGLBSA-N 2 1 192.262 1.521 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CCC[C@H]([NH3+])C1 70503057 343488545 /nfs/dbraw/zinc/48/85/45/343488545.db2.gz ALUDLLICEGRMNZ-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CCC[C@H]([NH3+])C1 70503058 343488779 /nfs/dbraw/zinc/48/87/79/343488779.db2.gz ALUDLLICEGRMNZ-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H](CC1CC1)[N@@H+]1CC[C@H]([NH3+])C1 70559244 343490038 /nfs/dbraw/zinc/49/00/38/343490038.db2.gz AHHXOFPFDNLGBB-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](CC1CC1)[N@H+]1CC[C@H]([NH3+])C1 70559244 343490039 /nfs/dbraw/zinc/49/00/39/343490039.db2.gz AHHXOFPFDNLGBB-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](CC1CC1)[N@@H+]1CC[C@H]([NH3+])C1 70559243 343490372 /nfs/dbraw/zinc/49/03/72/343490372.db2.gz AHHXOFPFDNLGBB-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CC[C@H]([NH3+])C1 70559243 343490376 /nfs/dbraw/zinc/49/03/76/343490376.db2.gz AHHXOFPFDNLGBB-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 70585882 343496964 /nfs/dbraw/zinc/49/69/64/343496964.db2.gz YUAVPMWVFGELPG-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 70585882 343496966 /nfs/dbraw/zinc/49/69/66/343496966.db2.gz YUAVPMWVFGELPG-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 70585883 343497338 /nfs/dbraw/zinc/49/73/38/343497338.db2.gz YUAVPMWVFGELPG-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 70585883 343497340 /nfs/dbraw/zinc/49/73/40/343497340.db2.gz YUAVPMWVFGELPG-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])CC1 70613606 343502834 /nfs/dbraw/zinc/50/28/34/343502834.db2.gz OCJNVRHNGQJTKM-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])CC1 70613606 343502836 /nfs/dbraw/zinc/50/28/36/343502836.db2.gz OCJNVRHNGQJTKM-UWVGGRQHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])CC1 70613605 343503266 /nfs/dbraw/zinc/50/32/66/343503266.db2.gz OCJNVRHNGQJTKM-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])CC1 70613605 343503269 /nfs/dbraw/zinc/50/32/69/343503269.db2.gz OCJNVRHNGQJTKM-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@]1(C[NH+]2CCCC2)CCC[NH2+]1 70619503 343504553 /nfs/dbraw/zinc/50/45/53/343504553.db2.gz PCPNZOITVAMVIH-JTQLQIEISA-N 2 1 168.284 1.224 10 0 ADAEMP C[C@]1(C[NH+]2CCCC2)CCC[NH2+]1 70619502 343504828 /nfs/dbraw/zinc/50/48/28/343504828.db2.gz PCPNZOITVAMVIH-SNVBAGLBSA-N 2 1 168.284 1.224 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623009 343505636 /nfs/dbraw/zinc/50/56/36/343505636.db2.gz YOWWCCILIIUSHF-QWRGUYRKSA-N 2 1 196.338 1.987 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@H]1[NH3+] 70623008 343505569 /nfs/dbraw/zinc/50/55/69/343505569.db2.gz YOWWCCILIIUSHF-GHMZBOCLSA-N 2 1 196.338 1.987 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CC(C)(C)CC[C@@H]1[NH3+] 70623007 343505690 /nfs/dbraw/zinc/50/56/90/343505690.db2.gz YOWWCCILIIUSHF-WDEREUQCSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+][C@H]1CCC(C)(C)C[C@H]1[NH+](C)C 70622988 343505711 /nfs/dbraw/zinc/50/57/11/343505711.db2.gz MHPWUMBWRRWDTI-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@H]1CCC(C)(C)C[C@@H]1[NH+](C)C 70622990 343505795 /nfs/dbraw/zinc/50/57/95/343505795.db2.gz MHPWUMBWRRWDTI-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1[NH+](C)C 70622991 343505805 /nfs/dbraw/zinc/50/58/05/343505805.db2.gz MHPWUMBWRRWDTI-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CC(C)(C)CC[C@H]1[NH3+] 70623010 343505909 /nfs/dbraw/zinc/50/59/09/343505909.db2.gz YOWWCCILIIUSHF-MNOVXSKESA-N 2 1 196.338 1.987 10 0 ADAEMP CC1(C)CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 70623266 343506120 /nfs/dbraw/zinc/50/61/20/343506120.db2.gz ICUFONJJNHDSNJ-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 70623266 343506124 /nfs/dbraw/zinc/50/61/24/343506124.db2.gz ICUFONJJNHDSNJ-SNVBAGLBSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]C1(C[NH3+])CCC(C)(C)CC1 70623213 343506358 /nfs/dbraw/zinc/50/63/58/343506358.db2.gz DPKJOJZRJKJQOS-UHFFFAOYSA-N 2 1 170.300 1.504 10 0 ADAEMP CC1(C)CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 70623265 343506453 /nfs/dbraw/zinc/50/64/53/343506453.db2.gz ICUFONJJNHDSNJ-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 70623265 343506455 /nfs/dbraw/zinc/50/64/55/343506455.db2.gz ICUFONJJNHDSNJ-JTQLQIEISA-N 2 1 196.338 1.988 10 0 ADAEMP [NH3+][C@H]1CCc2[nH+]c(C3CC3)cn2C1 70626485 343506651 /nfs/dbraw/zinc/50/66/51/343506651.db2.gz FXHHBFHWQWCSMF-QMMMGPOBSA-N 2 1 177.251 1.034 10 0 ADAEMP CC[C@@H](C)c1cn2c([nH+]1)CC[C@H]([NH3+])C2 70626476 343506695 /nfs/dbraw/zinc/50/66/95/343506695.db2.gz FEJCTAYCUQJPBK-BDAKNGLRSA-N 2 1 193.294 1.670 10 0 ADAEMP CCc1[nH+]c2n(c1C)C[C@@H]([NH3+])CC2 70626486 343506800 /nfs/dbraw/zinc/50/68/00/343506800.db2.gz DUBFLFNLAIVXTO-QMMMGPOBSA-N 2 1 179.267 1.027 10 0 ADAEMP CCc1[nH+]c2n(c1C)C[C@H]([NH3+])CC2 70626487 343506890 /nfs/dbraw/zinc/50/68/90/343506890.db2.gz DUBFLFNLAIVXTO-MRVPVSSYSA-N 2 1 179.267 1.027 10 0 ADAEMP CC[C@@H](C)c1cn2c([nH+]1)CC[C@@H]([NH3+])C2 70626478 343506914 /nfs/dbraw/zinc/50/69/14/343506914.db2.gz FEJCTAYCUQJPBK-RKDXNWHRSA-N 2 1 193.294 1.670 10 0 ADAEMP CC[C@H](C)c1cn2c([nH+]1)CC[C@@H]([NH3+])C2 70626479 343506930 /nfs/dbraw/zinc/50/69/30/343506930.db2.gz FEJCTAYCUQJPBK-DTWKUNHWSA-N 2 1 193.294 1.670 10 0 ADAEMP [NH3+][C@@H]1CCc2[nH+]c(C3CC3)cn2C1 70626484 343506951 /nfs/dbraw/zinc/50/69/51/343506951.db2.gz FXHHBFHWQWCSMF-MRVPVSSYSA-N 2 1 177.251 1.034 10 0 ADAEMP CC[C@H](C)c1cn2c([nH+]1)CC[C@H]([NH3+])C2 70626477 343507000 /nfs/dbraw/zinc/50/70/00/343507000.db2.gz FEJCTAYCUQJPBK-IUCAKERBSA-N 2 1 193.294 1.670 10 0 ADAEMP CC(C)c1cn2c([nH+]1)CC[C@@H]([NH3+])C2 70626505 343507050 /nfs/dbraw/zinc/50/70/50/343507050.db2.gz CXEOIJAKFWTCMX-MRVPVSSYSA-N 2 1 179.267 1.280 10 0 ADAEMP CCCc1cn2c([nH+]1)CC[C@@H]([NH3+])C2 70626519 343507163 /nfs/dbraw/zinc/50/71/63/343507163.db2.gz MYUMGVCNWAMLNT-MRVPVSSYSA-N 2 1 179.267 1.109 10 0 ADAEMP CC(C)c1cn2c([nH+]1)CC[C@H]([NH3+])C2 70626504 343507207 /nfs/dbraw/zinc/50/72/07/343507207.db2.gz CXEOIJAKFWTCMX-QMMMGPOBSA-N 2 1 179.267 1.280 10 0 ADAEMP CCCc1cn2c([nH+]1)CC[C@H]([NH3+])C2 70626518 343507383 /nfs/dbraw/zinc/50/73/83/343507383.db2.gz MYUMGVCNWAMLNT-QMMMGPOBSA-N 2 1 179.267 1.109 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@@H]2CC[NH2+]C2)C1 70627669 343507635 /nfs/dbraw/zinc/50/76/35/343507635.db2.gz DEXPAGMIXSUJCX-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H]2CC[NH2+]C2)C1 70627670 343507716 /nfs/dbraw/zinc/50/77/16/343507716.db2.gz DEXPAGMIXSUJCX-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP C1C[C@@H]([C@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 70627728 343507792 /nfs/dbraw/zinc/50/77/92/343507792.db2.gz VCWKDLZGBNADFV-ZJUUUORDSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@@H]([C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 70627729 343507837 /nfs/dbraw/zinc/50/78/37/343507837.db2.gz VCWKDLZGBNADFV-NXEZZACHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC(C)(C)C1 70629080 343508882 /nfs/dbraw/zinc/50/88/82/343508882.db2.gz OUXDEUUMSSXXIO-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP Nc1[nH+]cccc1[C@@H]1CC[C@H]([NH3+])C1 70636842 343512146 /nfs/dbraw/zinc/51/21/46/343512146.db2.gz FWDNPMAYQIVTRY-SFYZADRCSA-N 2 1 177.251 1.259 10 0 ADAEMP Nc1[nH+]cccc1C[C@@H]1CC[C@@H]([NH3+])C1 70636862 343512153 /nfs/dbraw/zinc/51/21/53/343512153.db2.gz NJTGRSMRKIPBHK-WCBMZHEXSA-N 2 1 191.278 1.334 10 0 ADAEMP Nc1[nH+]cccc1[C@@H]1CC[C@@H]([NH3+])C1 70636846 343512159 /nfs/dbraw/zinc/51/21/59/343512159.db2.gz FWDNPMAYQIVTRY-HTQZYQBOSA-N 2 1 177.251 1.259 10 0 ADAEMP Nc1[nH+]cccc1[C@H]1CC[C@H]([NH3+])C1 70636844 343512180 /nfs/dbraw/zinc/51/21/80/343512180.db2.gz FWDNPMAYQIVTRY-YUMQZZPRSA-N 2 1 177.251 1.259 10 0 ADAEMP Nc1[nH+]cccc1C[C@H]1CC[C@H]([NH3+])C1 70636860 343512193 /nfs/dbraw/zinc/51/21/93/343512193.db2.gz NJTGRSMRKIPBHK-SCZZXKLOSA-N 2 1 191.278 1.334 10 0 ADAEMP Nc1[nH+]cccc1C[C@H]1CC[C@@H]([NH3+])C1 70636864 343512220 /nfs/dbraw/zinc/51/22/20/343512220.db2.gz NJTGRSMRKIPBHK-PSASIEDQSA-N 2 1 191.278 1.334 10 0 ADAEMP Nc1[nH+]cccc1[C@H]1CC[C@@H]([NH3+])C1 70636849 343512327 /nfs/dbraw/zinc/51/23/27/343512327.db2.gz FWDNPMAYQIVTRY-JGVFFNPUSA-N 2 1 177.251 1.259 10 0 ADAEMP Nc1[nH+]cccc1C[C@@H]1CC[C@H]([NH3+])C1 70636859 343512351 /nfs/dbraw/zinc/51/23/51/343512351.db2.gz NJTGRSMRKIPBHK-WPRPVWTQSA-N 2 1 191.278 1.334 10 0 ADAEMP Nc1[nH+]cccc1[C@@H]1CCC[C@H]([NH3+])C1 70637306 343512558 /nfs/dbraw/zinc/51/25/58/343512558.db2.gz GFVLXNJSUAWDLL-BDAKNGLRSA-N 2 1 191.278 1.649 10 0 ADAEMP Nc1[nH+]cccc1[C@@H]1CCC[C@@H]([NH3+])C1 70637310 343512599 /nfs/dbraw/zinc/51/25/99/343512599.db2.gz GFVLXNJSUAWDLL-RKDXNWHRSA-N 2 1 191.278 1.649 10 0 ADAEMP Cn1cc[nH+]c1[C@@H]1CCCC[C@H]([NH3+])C1 70637598 343512640 /nfs/dbraw/zinc/51/26/40/343512640.db2.gz XSXQQIKNSCXELF-ZJUUUORDSA-N 2 1 193.294 1.795 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CCCC[C@H]([NH3+])C1 70637599 343512666 /nfs/dbraw/zinc/51/26/66/343512666.db2.gz XSXQQIKNSCXELF-UWVGGRQHSA-N 2 1 193.294 1.795 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CCCC[C@@H]([NH3+])C1 70637604 343512727 /nfs/dbraw/zinc/51/27/27/343512727.db2.gz XSXQQIKNSCXELF-VHSXEESVSA-N 2 1 193.294 1.795 10 0 ADAEMP Nc1[nH+]cccc1[C@H]1CCC[C@@H]([NH3+])C1 70637311 343512779 /nfs/dbraw/zinc/51/27/79/343512779.db2.gz GFVLXNJSUAWDLL-DTWKUNHWSA-N 2 1 191.278 1.649 10 0 ADAEMP Cn1cc[nH+]c1[C@@H]1CCCC[C@@H]([NH3+])C1 70637602 343512795 /nfs/dbraw/zinc/51/27/95/343512795.db2.gz XSXQQIKNSCXELF-NXEZZACHSA-N 2 1 193.294 1.795 10 0 ADAEMP Nc1[nH+]cccc1[C@H]1CCC[C@H]([NH3+])C1 70637308 343512807 /nfs/dbraw/zinc/51/28/07/343512807.db2.gz GFVLXNJSUAWDLL-IUCAKERBSA-N 2 1 191.278 1.649 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](c2[nH+]ccn2C)C1 70640125 343512931 /nfs/dbraw/zinc/51/29/31/343512931.db2.gz XHECDAHAHLXFAU-IUCAKERBSA-N 2 1 179.267 1.276 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](c2[nH+]ccn2C)C1 70640129 343512971 /nfs/dbraw/zinc/51/29/71/343512971.db2.gz XHECDAHAHLXFAU-BDAKNGLRSA-N 2 1 179.267 1.276 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](c2ccc[nH+]c2N)C1 70640475 343512993 /nfs/dbraw/zinc/51/29/93/343512993.db2.gz UNZXBBLENJHBHP-IUCAKERBSA-N 2 1 191.278 1.519 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CC[C@H]([NH2+]C)C1 70640245 343513013 /nfs/dbraw/zinc/51/30/13/343513013.db2.gz HKUGNDOYFMXHGW-UWVGGRQHSA-N 2 1 193.294 1.759 10 0 ADAEMP CCn1cc[nH+]c1[C@@H]1CC[C@@H]([NH2+]C)C1 70640247 343513024 /nfs/dbraw/zinc/51/30/24/343513024.db2.gz HKUGNDOYFMXHGW-NXEZZACHSA-N 2 1 193.294 1.759 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](c2ccc[nH+]c2N)C1 70640473 343513181 /nfs/dbraw/zinc/51/31/81/343513181.db2.gz UNZXBBLENJHBHP-DTWKUNHWSA-N 2 1 191.278 1.519 10 0 ADAEMP CCn1cc[nH+]c1[C@H]1CC[C@@H]([NH2+]C)C1 70640249 343513237 /nfs/dbraw/zinc/51/32/37/343513237.db2.gz HKUGNDOYFMXHGW-VHSXEESVSA-N 2 1 193.294 1.759 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](c2ccc[nH+]c2N)C1 70640476 343513260 /nfs/dbraw/zinc/51/32/60/343513260.db2.gz UNZXBBLENJHBHP-RKDXNWHRSA-N 2 1 191.278 1.519 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](c2[nH+]ccn2C)C1 70640127 343513270 /nfs/dbraw/zinc/51/32/70/343513270.db2.gz XHECDAHAHLXFAU-RKDXNWHRSA-N 2 1 179.267 1.276 10 0 ADAEMP CC[NH2+][C@H]1CC[C@@H](c2[nH+]ccn2C)C1 70640716 343513430 /nfs/dbraw/zinc/51/34/30/343513430.db2.gz IDCPJLZKYAJBEL-ZJUUUORDSA-N 2 1 193.294 1.666 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](c2ccc[nH+]c2N)C1 70640478 343513495 /nfs/dbraw/zinc/51/34/95/343513495.db2.gz UNZXBBLENJHBHP-BDAKNGLRSA-N 2 1 191.278 1.519 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H](c2[nH+]ccn2C)C1 70640710 343513649 /nfs/dbraw/zinc/51/36/49/343513649.db2.gz IDCPJLZKYAJBEL-VHSXEESVSA-N 2 1 193.294 1.666 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H](c2[nH+]ccn2C)C1 70641294 343513672 /nfs/dbraw/zinc/51/36/72/343513672.db2.gz ATPMRKUVSHXYKF-VHSXEESVSA-N 2 1 193.294 1.666 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H](c2[nH+]ccn2C)C1 70640714 343513685 /nfs/dbraw/zinc/51/36/85/343513685.db2.gz IDCPJLZKYAJBEL-NXEZZACHSA-N 2 1 193.294 1.666 10 0 ADAEMP CC[NH2+][C@H]1CC[C@H](c2[nH+]ccn2C)C1 70640712 343513711 /nfs/dbraw/zinc/51/37/11/343513711.db2.gz IDCPJLZKYAJBEL-UWVGGRQHSA-N 2 1 193.294 1.666 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H](c2[nH+]ccn2C)C1 70641300 343514022 /nfs/dbraw/zinc/51/40/22/343514022.db2.gz ATPMRKUVSHXYKF-ZJUUUORDSA-N 2 1 193.294 1.666 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H](c2[nH+]ccn2C)C1 70641296 343514032 /nfs/dbraw/zinc/51/40/32/343514032.db2.gz ATPMRKUVSHXYKF-UWVGGRQHSA-N 2 1 193.294 1.666 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H](c2[nH+]ccn2C)C1 70641298 343514048 /nfs/dbraw/zinc/51/40/48/343514048.db2.gz ATPMRKUVSHXYKF-NXEZZACHSA-N 2 1 193.294 1.666 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CC[C@H](C)C1 70644479 343515404 /nfs/dbraw/zinc/51/54/04/343515404.db2.gz YWXWZZDHBJTLKF-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@H](C)C1 70644478 343515439 /nfs/dbraw/zinc/51/54/39/343515439.db2.gz YWXWZZDHBJTLKF-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@H]1CC[C@@](C[NH3+])([NH2+]C)C1 70644467 343515455 /nfs/dbraw/zinc/51/54/55/343515455.db2.gz XBWPABBLRRTWCZ-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H]1CC[C@@](C[NH3+])([NH2+]C)C1 70644466 343515490 /nfs/dbraw/zinc/51/54/90/343515490.db2.gz XBWPABBLRRTWCZ-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP 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FAXDPWTXLUNQLO-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@@H+](Cc1ccccc1)C1CC([NH3+])C1 87653162 343662603 /nfs/dbraw/zinc/66/26/03/343662603.db2.gz AKTNRMRAOYDEBA-UHFFFAOYSA-N 2 1 190.290 1.608 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cccnc1 90587373 343676449 /nfs/dbraw/zinc/67/64/49/343676449.db2.gz IUMCSWXAFXSTAI-ONGXEEELSA-N 2 1 191.278 1.033 10 0 ADAEMP C[C@@H](c1ccc[nH]1)[N@H+]1CC[C@H](C[NH3+])C1 95068274 343678971 /nfs/dbraw/zinc/67/89/71/343678971.db2.gz ZPQGPGDVUXEBTO-VHSXEESVSA-N 2 1 193.294 1.356 10 0 ADAEMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccco1 95068382 343679119 /nfs/dbraw/zinc/67/91/19/343679119.db2.gz KPVCYOUWVRFWCX-UWVGGRQHSA-N 2 1 194.278 1.540 10 0 ADAEMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccco1 95068380 343679140 /nfs/dbraw/zinc/67/91/40/343679140.db2.gz KPVCYOUWVRFWCX-VHSXEESVSA-N 2 1 194.278 1.540 10 0 ADAEMP C[C@H](c1ccc[nH]1)[NH+]1CCC([NH3+])CC1 95068279 343679203 /nfs/dbraw/zinc/67/92/03/343679203.db2.gz AOHWPYZWAYOJMT-SECBINFHSA-N 2 1 193.294 1.499 10 0 ADAEMP CC(C)[N@H+]1CCC2(CCC([NH3+])CC2)C1 95088228 343679969 /nfs/dbraw/zinc/67/99/69/343679969.db2.gz YXFXWDOEJAZUKE-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CC[C@H]([NH3+])C2)C1 95088257 343680021 /nfs/dbraw/zinc/68/00/21/343680021.db2.gz YPHOSDHDOLVKLA-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CC[C@H](C[NH3+])C2)C1 95088251 343680047 /nfs/dbraw/zinc/68/00/47/343680047.db2.gz WEQKLIQRKVMVTR-RYUDHWBXSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[N@H+]1CCC2(CC(C[NH3+])C2)C1 95088241 343680115 /nfs/dbraw/zinc/68/01/15/343680115.db2.gz WWMGNIRIWBPRTI-UHFFFAOYSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[N@H+]1CCC2(CC[NH+](C)CC2)C1 95088229 343680179 /nfs/dbraw/zinc/68/01/79/343680179.db2.gz MHKPWEAKNFZWCZ-UHFFFAOYSA-N 2 1 196.338 1.813 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 95088252 343680265 /nfs/dbraw/zinc/68/02/65/343680265.db2.gz WEQKLIQRKVMVTR-NWDGAFQWSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[N@H+]1CCC2(CC([NH3+])C2)C1 95088244 343680324 /nfs/dbraw/zinc/68/03/24/343680324.db2.gz GSXXXWBLVCZNKH-UHFFFAOYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CC[C@H]([NH3+])C2)C1 95088258 343680400 /nfs/dbraw/zinc/68/04/00/343680400.db2.gz YPHOSDHDOLVKLA-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[NH+]1CCC2(CC1)CC[N@@H+](C)C2 95088259 343680424 /nfs/dbraw/zinc/68/04/24/343680424.db2.gz IQVDOTDCSPKNPL-UHFFFAOYSA-N 2 1 196.338 1.813 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[C@H](C[NH3+])C2)C1 95091319 343680575 /nfs/dbraw/zinc/68/05/75/343680575.db2.gz DLLQVDUYQBJWFF-WDEREUQCSA-N 2 1 182.311 1.457 10 0 ADAEMP CC[N@H+]1CC[C@]2(CC[C@H](C[NH3+])C2)C1 95091318 343680731 /nfs/dbraw/zinc/68/07/31/343680731.db2.gz DLLQVDUYQBJWFF-QWRGUYRKSA-N 2 1 182.311 1.457 10 0 ADAEMP CC[N@H+]1CC[C@]2(CC[C@H]([NH3+])C2)C1 95091324 343680812 /nfs/dbraw/zinc/68/08/12/343680812.db2.gz OJSDJSSQJDIVMO-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[C@H]([NH3+])C2)C1 95091325 343680820 /nfs/dbraw/zinc/68/08/20/343680820.db2.gz OJSDJSSQJDIVMO-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 100246649 343713803 /nfs/dbraw/zinc/71/38/03/343713803.db2.gz WEQKLIQRKVMVTR-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CC[C@@H]([NH3+])C2)C1 100246694 343713808 /nfs/dbraw/zinc/71/38/08/343713808.db2.gz YPHOSDHDOLVKLA-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CC[C@@H]([NH3+])C2)C1 100246686 343713833 /nfs/dbraw/zinc/71/38/33/343713833.db2.gz YPHOSDHDOLVKLA-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](c1ccco1)[N@H+]1CC[C@@H](C[NH3+])C1 100256709 343714105 /nfs/dbraw/zinc/71/41/05/343714105.db2.gz KUYORPNWCFTDMJ-ZJUUUORDSA-N 2 1 194.278 1.621 10 0 ADAEMP C[C@H](c1ccc[nH]1)[N@H+]1CC[C@@H](C[NH3+])C1 100256698 343714260 /nfs/dbraw/zinc/71/42/60/343714260.db2.gz ZPQGPGDVUXEBTO-ZJUUUORDSA-N 2 1 193.294 1.356 10 0 ADAEMP C[N@H+]1CC[C@]2(CC[C@@H](C[NH3+])C2)C1 100275734 343714419 /nfs/dbraw/zinc/71/44/19/343714419.db2.gz RREZHMHYXFBSSI-ZJUUUORDSA-N 2 1 168.284 1.067 10 0 ADAEMP C[N@H+]1CC[C@@]2(CC[C@@H](C[NH3+])C2)C1 100275731 343714465 /nfs/dbraw/zinc/71/44/65/343714465.db2.gz RREZHMHYXFBSSI-NXEZZACHSA-N 2 1 168.284 1.067 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1CCC[C@@H]1C1CCCC1 106060255 343737777 /nfs/dbraw/zinc/73/77/77/343737777.db2.gz FNHSKFZVTLKQRD-SNVBAGLBSA-N 2 1 195.310 1.577 10 0 ADAEMP NC(=[NH2+])C[N@H+]1CCC[C@@H]1C1CCCC1 106060255 343737779 /nfs/dbraw/zinc/73/77/79/343737779.db2.gz FNHSKFZVTLKQRD-SNVBAGLBSA-N 2 1 195.310 1.577 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1CCC[C@H]1C1CCCC1 106060250 343737791 /nfs/dbraw/zinc/73/77/91/343737791.db2.gz FNHSKFZVTLKQRD-JTQLQIEISA-N 2 1 195.310 1.577 10 0 ADAEMP NC(=[NH2+])C[N@H+]1CCC[C@H]1C1CCCC1 106060250 343737792 /nfs/dbraw/zinc/73/77/92/343737792.db2.gz FNHSKFZVTLKQRD-JTQLQIEISA-N 2 1 195.310 1.577 10 0 ADAEMP C1CC[C@H](C[N@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107127770 343742685 /nfs/dbraw/zinc/74/26/85/343742685.db2.gz JPIXPAPPYZTIRE-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107127770 343742687 /nfs/dbraw/zinc/74/26/87/343742687.db2.gz JPIXPAPPYZTIRE-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 107127808 343742769 /nfs/dbraw/zinc/74/27/69/343742769.db2.gz QVMHPNVMTJLLCV-YTWAJWBKSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C1CCC([N@@H+]2C[C@H]3C[C@H]3C2)CC1 107127820 343742816 /nfs/dbraw/zinc/74/28/16/343742816.db2.gz YMDMEHGDJKLOOF-IXBNRNDTSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107127805 343742833 /nfs/dbraw/zinc/74/28/33/343742833.db2.gz ZQJMOOYTHGNJOA-YTWAJWBKSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 107127811 343742926 /nfs/dbraw/zinc/74/29/26/343742926.db2.gz QVMHPNVMTJLLCV-LMLFDSFASA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107127800 343742958 /nfs/dbraw/zinc/74/29/58/343742958.db2.gz ZQJMOOYTHGNJOA-LMLFDSFASA-N 2 1 180.295 1.208 10 0 ADAEMP C1CC[C@@H](C[N@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107127768 343742981 /nfs/dbraw/zinc/74/29/81/343742981.db2.gz JPIXPAPPYZTIRE-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC[C@@H](C[N@@H+]2C[C@H]3C[C@H]3C2)[NH2+]C1 107127768 343742983 /nfs/dbraw/zinc/74/29/83/343742983.db2.gz JPIXPAPPYZTIRE-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)[N@H+](C1CC[NH2+]CC1)C1CC1 107171032 343746206 /nfs/dbraw/zinc/74/62/06/343746206.db2.gz HYWKVQXTROWOCK-UHFFFAOYSA-N 2 1 182.311 1.611 10 0 ADAEMP C1C[NH2+]CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107168997 343746292 /nfs/dbraw/zinc/74/62/92/343746292.db2.gz HSIDRQOBGILQKM-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+]CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 107168994 343746350 /nfs/dbraw/zinc/74/63/50/343746350.db2.gz HSIDRQOBGILQKM-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC1[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 107227970 343747934 /nfs/dbraw/zinc/74/79/34/343747934.db2.gz BCUGCVHEFDXLHS-AOOOYVTPSA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 107229862 343747974 /nfs/dbraw/zinc/74/79/74/343747974.db2.gz IELQWRQRGJQWIH-PHIMTYICSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 107223867 343748007 /nfs/dbraw/zinc/74/80/07/343748007.db2.gz GGOFMHJXRKSOCB-NXEZZACHSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 107223869 343748089 /nfs/dbraw/zinc/74/80/89/343748089.db2.gz GGOFMHJXRKSOCB-ZJUUUORDSA-N 2 1 168.284 1.079 10 0 ADAEMP Cc1c[nH+]c(CC[NH3+])n1C1CCC1 107339736 343749635 /nfs/dbraw/zinc/74/96/35/343749635.db2.gz HTLJYRDXMANTFB-UHFFFAOYSA-N 2 1 179.267 1.418 10 0 ADAEMP C[C@H](C[NH3+])N(C)c1cc[nH+]cc1Cl 125481373 343790988 /nfs/dbraw/zinc/79/09/88/343790988.db2.gz JNKREMDFNJSXCY-SSDOTTSWSA-N 2 1 199.685 1.518 10 0 ADAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccoc1 126756660 343796343 /nfs/dbraw/zinc/79/63/43/343796343.db2.gz DJQURLQWVVHLTN-KOLCDFICSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C1CCCC1 126744989 343796394 /nfs/dbraw/zinc/79/63/94/343796394.db2.gz UZPZNOHAHSWIGA-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C1CCCC1 126744500 343796416 /nfs/dbraw/zinc/79/64/16/343796416.db2.gz UZPZNOHAHSWIGA-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1C1CCCC1 126745237 343796428 /nfs/dbraw/zinc/79/64/28/343796428.db2.gz UZPZNOHAHSWIGA-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccoc1 126756228 343796496 /nfs/dbraw/zinc/79/64/96/343796496.db2.gz DJQURLQWVVHLTN-MWLCHTKSSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccoc1 126756421 343796505 /nfs/dbraw/zinc/79/65/05/343796505.db2.gz DJQURLQWVVHLTN-GXSJLCMTSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccoc1 126756887 343796580 /nfs/dbraw/zinc/79/65/80/343796580.db2.gz DJQURLQWVVHLTN-ONGXEEELSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1C1CCCC1 126744742 343796621 /nfs/dbraw/zinc/79/66/21/343796621.db2.gz UZPZNOHAHSWIGA-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C2CCCCC2)C1 126866481 343798633 /nfs/dbraw/zinc/79/86/33/343798633.db2.gz WJLNKXHMBQEDLR-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+](C2CCCCC2)C1 126866914 343798640 /nfs/dbraw/zinc/79/86/40/343798640.db2.gz WJLNKXHMBQEDLR-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C2CCCCC2)C1 126866705 343798645 /nfs/dbraw/zinc/79/86/45/343798645.db2.gz WJLNKXHMBQEDLR-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@H+](C2CCCCC2)C1 126867147 343798675 /nfs/dbraw/zinc/79/86/75/343798675.db2.gz WJLNKXHMBQEDLR-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CCCc1[nH+]c2c(n1C)CC[C@H]([NH3+])C2 126922758 343800392 /nfs/dbraw/zinc/80/03/92/343800392.db2.gz QVJBDQORDPNLPZ-QMMMGPOBSA-N 2 1 193.294 1.189 10 0 ADAEMP CCCc1[nH+]c2c(n1C)CC[C@@H]([NH3+])C2 126922932 343800429 /nfs/dbraw/zinc/80/04/29/343800429.db2.gz QVJBDQORDPNLPZ-MRVPVSSYSA-N 2 1 193.294 1.189 10 0 ADAEMP [NH3+]CC1(Nc2cc[nH+]cc2Cl)CC1 127035000 343803219 /nfs/dbraw/zinc/80/32/19/343803219.db2.gz BEDVOAZTQNCIOE-UHFFFAOYSA-N 2 1 197.669 1.638 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])C1 127292106 343808948 /nfs/dbraw/zinc/80/89/48/343808948.db2.gz ZTUPYNMHWKXGNM-WPRPVWTQSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)n1c[nH+]c2c1CCCC2 127290105 343808958 /nfs/dbraw/zinc/80/89/58/343808958.db2.gz FPVNGRAHRGOTPN-RKDXNWHRSA-N 2 1 193.294 1.670 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CC[C@H]([NH3+])C1 127291872 343808974 /nfs/dbraw/zinc/80/89/74/343808974.db2.gz ZTUPYNMHWKXGNM-WCBMZHEXSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)n1c[nH+]c2c1CCCC2 127289904 343809229 /nfs/dbraw/zinc/80/92/29/343809229.db2.gz FPVNGRAHRGOTPN-DTWKUNHWSA-N 2 1 193.294 1.670 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)n1c[nH+]c2c1CCCC2 127290341 343809327 /nfs/dbraw/zinc/80/93/27/343809327.db2.gz FPVNGRAHRGOTPN-IUCAKERBSA-N 2 1 193.294 1.670 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])n1c[nH+]c2c1CCCC2 127290557 343809335 /nfs/dbraw/zinc/80/93/35/343809335.db2.gz FPVNGRAHRGOTPN-BDAKNGLRSA-N 2 1 193.294 1.670 10 0 ADAEMP C[NH2+]CCn1c(C)[nH+]c2c1CCCC2 127308918 343809691 /nfs/dbraw/zinc/80/96/91/343809691.db2.gz GJKPVICZGMUEPP-UHFFFAOYSA-N 2 1 193.294 1.290 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]c2c1CCCC2 127301632 343809700 /nfs/dbraw/zinc/80/97/00/343809700.db2.gz HYJQNOQHPRDQMI-VIFPVBQESA-N 2 1 193.294 1.499 10 0 ADAEMP CC[C@@H]([NH3+])Cn1c[nH+]c2c1CCCC2 127301882 343809944 /nfs/dbraw/zinc/80/99/44/343809944.db2.gz HYJQNOQHPRDQMI-SECBINFHSA-N 2 1 193.294 1.499 10 0 ADAEMP CC(C)[NH2+]C[C@]1(C)CCCC[NH2+]1 127355297 343810235 /nfs/dbraw/zinc/81/02/35/343810235.db2.gz DVCQWXGEGROBEI-JTQLQIEISA-N 2 1 170.300 1.517 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CCC[C@H]([NH3+])C1 127340548 343810257 /nfs/dbraw/zinc/81/02/57/343810257.db2.gz BAJIRCCCGNXYGO-ONGXEEELSA-N 2 1 182.311 1.741 10 0 ADAEMP CC(C)(C)[NH2+]C[C@@]1(C)CCCC[NH2+]1 127354785 343810280 /nfs/dbraw/zinc/81/02/80/343810280.db2.gz HFTWINAWYPIQEC-LLVKDONJSA-N 2 1 184.327 1.907 10 0 ADAEMP Cc1[nH+]c2c(n1C1C[NH2+]C1)CCCC2 127330887 343810325 /nfs/dbraw/zinc/81/03/25/343810325.db2.gz NVSPPIWORIGVBM-UHFFFAOYSA-N 2 1 191.278 1.215 10 0 ADAEMP CC(C)(C)[NH2+]C[C@]1(C)CCCC[NH2+]1 127355019 343810385 /nfs/dbraw/zinc/81/03/85/343810385.db2.gz HFTWINAWYPIQEC-NSHDSACASA-N 2 1 184.327 1.907 10 0 ADAEMP C[C@]1(C[NH2+]C2CC2)CCCC[NH2+]1 127357083 343810439 /nfs/dbraw/zinc/81/04/39/343810439.db2.gz HVUGBBCZGDDPPT-SNVBAGLBSA-N 2 1 168.284 1.271 10 0 ADAEMP C[C@@]1(C[NH2+]C2CC2)CCCC[NH2+]1 127357352 343810451 /nfs/dbraw/zinc/81/04/51/343810451.db2.gz HVUGBBCZGDDPPT-JTQLQIEISA-N 2 1 168.284 1.271 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CCC[C@H]([NH3+])C1 127340303 343810506 /nfs/dbraw/zinc/81/05/06/343810506.db2.gz BAJIRCCCGNXYGO-GXSJLCMTSA-N 2 1 182.311 1.741 10 0 ADAEMP CC(C)[NH2+]C[C@@]1(C)CCCC[NH2+]1 127355489 343810580 /nfs/dbraw/zinc/81/05/80/343810580.db2.gz DVCQWXGEGROBEI-SNVBAGLBSA-N 2 1 170.300 1.517 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@]2(C)CCCC[NH2+]2)C1 127364297 343811061 /nfs/dbraw/zinc/81/10/61/343811061.db2.gz HIDOLGOYUUQCJG-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCCC[NH2+]2)C1 127364112 343811327 /nfs/dbraw/zinc/81/13/27/343811327.db2.gz HIDOLGOYUUQCJG-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C1CCC1 127527108 343813058 /nfs/dbraw/zinc/81/30/58/343813058.db2.gz SWWZOLUMEGAEBD-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)C1CCC1 127526870 343813284 /nfs/dbraw/zinc/81/32/84/343813284.db2.gz SWWZOLUMEGAEBD-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)C1CCC1 127526647 343813337 /nfs/dbraw/zinc/81/33/37/343813337.db2.gz SWWZOLUMEGAEBD-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCC1 127515033 343813409 /nfs/dbraw/zinc/81/34/09/343813409.db2.gz HHWYRGDSEUAUQX-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@H]([NH3+])C1)C1CCC1 127560435 343814124 /nfs/dbraw/zinc/81/41/24/343814124.db2.gz YUFWSPMSTXQLSM-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCc1[nH]c2c([nH+]1)CC[C@H]([NH3+])C2 127583524 343814431 /nfs/dbraw/zinc/81/44/31/343814431.db2.gz HOCWHXGKYGULAQ-ZETCQYMHSA-N 2 1 179.267 1.178 10 0 ADAEMP CCCCc1[nH]c2c([nH+]1)CC[C@@H]([NH3+])C2 127577645 343814498 /nfs/dbraw/zinc/81/44/98/343814498.db2.gz DKWULOAAOKVUFL-MRVPVSSYSA-N 2 1 193.294 1.568 10 0 ADAEMP CCCc1[nH]c2c([nH+]1)CC[C@@H]([NH3+])C2 127583305 343814553 /nfs/dbraw/zinc/81/45/53/343814553.db2.gz HOCWHXGKYGULAQ-SSDOTTSWSA-N 2 1 179.267 1.178 10 0 ADAEMP CCCCc1[nH]c2c([nH+]1)CC[C@H]([NH3+])C2 127577873 343814605 /nfs/dbraw/zinc/81/46/05/343814605.db2.gz DKWULOAAOKVUFL-QMMMGPOBSA-N 2 1 193.294 1.568 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CC[C@@H]1C[NH3+] 127882571 343821087 /nfs/dbraw/zinc/82/10/87/343821087.db2.gz YDXRMPVFEZIHHK-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@]2(CC[NH2+]C[C@@H]2C)C[N@H+]1C 127966836 343821573 /nfs/dbraw/zinc/82/15/73/343821573.db2.gz SPEBSLCPMYRQSK-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+](C1CCC1)[C@H]1CCCC[NH2+]C1 127934981 343821575 /nfs/dbraw/zinc/82/15/75/343821575.db2.gz OQHRPJJMHNBXPL-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CCCC[NH2+]C1 127934981 343821576 /nfs/dbraw/zinc/82/15/76/343821576.db2.gz OQHRPJJMHNBXPL-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[C@@]2(CC[NH2+]C[C@@H]2C)C[N@H+]1C 127966382 343821836 /nfs/dbraw/zinc/82/18/36/343821836.db2.gz SPEBSLCPMYRQSK-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+](C1CCC1)[C@@H]1CCCC[NH2+]C1 127934748 343821929 /nfs/dbraw/zinc/82/19/29/343821929.db2.gz OQHRPJJMHNBXPL-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CCCC[NH2+]C1 127934748 343821932 /nfs/dbraw/zinc/82/19/32/343821932.db2.gz OQHRPJJMHNBXPL-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](C)CC1 129273951 343847460 /nfs/dbraw/zinc/84/74/60/343847460.db2.gz GWPVTZHDFCLWBH-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](C)CC1 129274407 343847579 /nfs/dbraw/zinc/84/75/79/343847579.db2.gz GWPVTZHDFCLWBH-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1=CC[NH2+]CC1 129431851 343849921 /nfs/dbraw/zinc/84/99/21/343849921.db2.gz VXRPJRXVCZTZPA-SNVBAGLBSA-N 2 1 180.295 1.390 10 0 ADAEMP Cc1c[nH+]cn1CC1=CC[NH2+]CC1 129436425 343849945 /nfs/dbraw/zinc/84/99/45/343849945.db2.gz KEGWXSNDZKLLPC-UHFFFAOYSA-N 2 1 177.251 1.111 10 0 ADAEMP CC(C[N@@H+]1CCCC[C@H]1C)=C1C[NH2+]C1 129437818 343850017 /nfs/dbraw/zinc/85/00/17/343850017.db2.gz GWPNDVXNEUULCA-LLVKDONJSA-N 2 1 194.322 1.781 10 0 ADAEMP CC(C[N@@H+]1CCCC[C@@H]1C)=C1C[NH2+]C1 129438023 343850041 /nfs/dbraw/zinc/85/00/41/343850041.db2.gz GWPNDVXNEUULCA-NSHDSACASA-N 2 1 194.322 1.781 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CCC1C[NH2+]C1 129438465 343850147 /nfs/dbraw/zinc/85/01/47/343850147.db2.gz QOEINGVXGMVKQX-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CCC1C[NH2+]C1 129463196 343850513 /nfs/dbraw/zinc/85/05/13/343850513.db2.gz MSSOJVANAQNWRR-PHIMTYICSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C[N@H+](C)C(C)C)=C1C[NH2+]C1 129453300 343850623 /nfs/dbraw/zinc/85/06/23/343850623.db2.gz HEUQLHUPCNVWQS-UHFFFAOYSA-N 2 1 168.284 1.246 10 0 ADAEMP CC(C[N@H+](C)C1CC1)=C1C[NH2+]C1 129472790 343851442 /nfs/dbraw/zinc/85/14/42/343851442.db2.gz BCGWJHZDHFXJJC-UHFFFAOYSA-N 2 1 166.268 1.000 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC1C[NH2+]C1 129519947 343851888 /nfs/dbraw/zinc/85/18/88/343851888.db2.gz XWBXBKGQEJUYTH-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CCC1C[NH2+]C1 129519738 343851999 /nfs/dbraw/zinc/85/19/99/343851999.db2.gz XWBXBKGQEJUYTH-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C[N@@H+]1CCC[C@@H]1C)=C1C[NH2+]C1 129519502 343852133 /nfs/dbraw/zinc/85/21/33/343852133.db2.gz OBBWPCZPIJFUJD-JTQLQIEISA-N 2 1 180.295 1.390 10 0 ADAEMP CCc1c(C)[nH+]c2n1C[C@H]([NH3+])CC2 129523656 343852164 /nfs/dbraw/zinc/85/21/64/343852164.db2.gz JPTAUVKUHCPYHU-MRVPVSSYSA-N 2 1 179.267 1.027 10 0 ADAEMP CC(C[N@@H+]1CCC[C@H]1C)=C1C[NH2+]C1 129519280 343852178 /nfs/dbraw/zinc/85/21/78/343852178.db2.gz OBBWPCZPIJFUJD-SNVBAGLBSA-N 2 1 180.295 1.390 10 0 ADAEMP CCc1c(C)[nH+]c2n1C[C@@H]([NH3+])CC2 129523880 343852320 /nfs/dbraw/zinc/85/23/20/343852320.db2.gz JPTAUVKUHCPYHU-QMMMGPOBSA-N 2 1 179.267 1.027 10 0 ADAEMP CC(C[N@@H+]1CC[C@@H](C)C1)=C1C[NH2+]C1 129544471 343852474 /nfs/dbraw/zinc/85/24/74/343852474.db2.gz IVAKJAGEAWPRMZ-SECBINFHSA-N 2 1 180.295 1.248 10 0 ADAEMP CC(C[N@@H+]1CC[C@H](C)C1)=C1C[NH2+]C1 129544702 343852567 /nfs/dbraw/zinc/85/25/67/343852567.db2.gz IVAKJAGEAWPRMZ-VIFPVBQESA-N 2 1 180.295 1.248 10 0 ADAEMP C[NH+](C)C[C@H]([NH3+])C1CCCCCC1 129539275 343852574 /nfs/dbraw/zinc/85/25/74/343852574.db2.gz BXEKXVSRAZSZRT-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH+](C)C[C@@H]([NH3+])C1CCCCCC1 129539469 343852634 /nfs/dbraw/zinc/85/26/34/343852634.db2.gz BXEKXVSRAZSZRT-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C1C[NH+]([C@@H]2CCC[NH2+][C@H]2C)C1 129562682 343852952 /nfs/dbraw/zinc/85/29/52/343852952.db2.gz RERFGDMJMDYOCM-CMPLNLGQSA-N 2 1 196.338 1.715 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[NH2+][C@H]1C 129572360 343853014 /nfs/dbraw/zinc/85/30/14/343853014.db2.gz XFOSQGRRTZAVAS-VHSXEESVSA-N 2 1 179.267 1.505 10 0 ADAEMP CC(C)C1C[NH+]([C@H]2CCC[NH2+][C@@H]2C)C1 129562888 343853044 /nfs/dbraw/zinc/85/30/44/343853044.db2.gz RERFGDMJMDYOCM-PWSUYJOCSA-N 2 1 196.338 1.715 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCC[NH2+][C@H]1C 129572564 343853050 /nfs/dbraw/zinc/85/30/50/343853050.db2.gz XFOSQGRRTZAVAS-UWVGGRQHSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[NH2+][C@@H]1C 129571921 343853088 /nfs/dbraw/zinc/85/30/88/343853088.db2.gz XFOSQGRRTZAVAS-NXEZZACHSA-N 2 1 179.267 1.505 10 0 ADAEMP CCC1C[NH+]([C@H]2CCC[NH2+][C@H]2C)C1 129564826 343853189 /nfs/dbraw/zinc/85/31/89/343853189.db2.gz WHSWONPCMFFGMF-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC1C[NH+]([C@H]2CCC[NH2+][C@@H]2C)C1 129564364 343853198 /nfs/dbraw/zinc/85/31/98/343853198.db2.gz WHSWONPCMFFGMF-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC1C[NH+]([C@@H]2CCC[NH2+][C@@H]2C)C1 129564164 343853241 /nfs/dbraw/zinc/85/32/41/343853241.db2.gz WHSWONPCMFFGMF-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC2C[NH2+]C2)[C@H](C)C1 129655487 343854239 /nfs/dbraw/zinc/85/42/39/343854239.db2.gz QWDANOUCRLJFRZ-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1c[nH+]cn1C1(C)CC[NH2+]CC1 129669126 343854809 /nfs/dbraw/zinc/85/48/09/343854809.db2.gz SLLXAPHPAUTJEI-UHFFFAOYSA-N 2 1 179.267 1.290 10 0 ADAEMP CC1(C)CCC[N@H+]1CCC1C[NH2+]C1 129680552 343854815 /nfs/dbraw/zinc/85/48/15/343854815.db2.gz VSTFIBLVCFCPAS-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP Cc1[nH+]ccn1-c1cccnc1C[NH3+] 129660999 343854836 /nfs/dbraw/zinc/85/48/36/343854836.db2.gz VOMDZOAXMOHQOB-UHFFFAOYSA-N 2 1 188.234 1.034 10 0 ADAEMP C[C@H](C[N@H+]1CCC(C)(C)C1)C1C[NH2+]C1 129759683 343855899 /nfs/dbraw/zinc/85/58/99/343855899.db2.gz YUSWQMWBEYPCLJ-SNVBAGLBSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H](C[N@H+]1CCC(C)(C)C1)C1C[NH2+]C1 129759483 343855958 /nfs/dbraw/zinc/85/59/58/343855958.db2.gz YUSWQMWBEYPCLJ-JTQLQIEISA-N 2 1 196.338 1.574 10 0 ADAEMP CC1(C)CC[N@@H+](CCC2C[NH2+]C2)C1 129759250 343856027 /nfs/dbraw/zinc/85/60/27/343856027.db2.gz GYNYDZAECQNCTL-UHFFFAOYSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC2C[NH2+]C2)C[C@@H]1C 129833540 343857472 /nfs/dbraw/zinc/85/74/72/343857472.db2.gz PUEJRNVYLJCNBL-MNOVXSKESA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H](C[NH+](C)C)Nc1ccc(N)[nH+]c1 130107394 343862662 /nfs/dbraw/zinc/86/26/62/343862662.db2.gz KLDFCENWWLTVPC-QMMMGPOBSA-N 2 1 194.282 1.026 10 0 ADAEMP C[C@H](C[NH+](C)C)Nc1ccc(N)[nH+]c1 130107591 343862801 /nfs/dbraw/zinc/86/28/01/343862801.db2.gz KLDFCENWWLTVPC-MRVPVSSYSA-N 2 1 194.282 1.026 10 0 ADAEMP C[C@@H](C[NH+](C)C)NC1=[NH+]CCCCC1 130418009 343867918 /nfs/dbraw/zinc/86/79/18/343867918.db2.gz PFNPVWVHMLWFKR-JTQLQIEISA-N 2 1 197.326 1.499 10 0 ADAEMP Cc1c[nH+]c(N)c([C@@H](F)CC[NH3+])c1 130420341 343868146 /nfs/dbraw/zinc/86/81/46/343868146.db2.gz QPOBRRLSJWCACE-QMMMGPOBSA-N 2 1 183.230 1.332 10 0 ADAEMP C[C@H](C[NH+](C)C)NC1=[NH+]CCCCC1 130418233 343868185 /nfs/dbraw/zinc/86/81/85/343868185.db2.gz PFNPVWVHMLWFKR-SNVBAGLBSA-N 2 1 197.326 1.499 10 0 ADAEMP Cc1c[nH+]c(N)c([C@H](F)CC[NH3+])c1 130420142 343868258 /nfs/dbraw/zinc/86/82/58/343868258.db2.gz QPOBRRLSJWCACE-MRVPVSSYSA-N 2 1 183.230 1.332 10 0 ADAEMP C[C@@H](C[NH+](C)C)NC1=[NH+]CCCC1 130468245 343868531 /nfs/dbraw/zinc/86/85/31/343868531.db2.gz XMMCWWHJLUIHNH-VIFPVBQESA-N 2 1 183.299 1.109 10 0 ADAEMP C[C@H](C[NH+](C)C)NC1=[NH+]CCCC1 130468462 343868788 /nfs/dbraw/zinc/86/87/88/343868788.db2.gz XMMCWWHJLUIHNH-SECBINFHSA-N 2 1 183.299 1.109 10 0 ADAEMP c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)co1 130626212 343871657 /nfs/dbraw/zinc/87/16/57/343871657.db2.gz QKNGCAKZQCAPLU-LLVKDONJSA-N 2 1 194.278 1.511 10 0 ADAEMP C[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130826102 343875419 /nfs/dbraw/zinc/87/54/19/343875419.db2.gz TUMGQGHHBIUDKB-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130826102 343875421 /nfs/dbraw/zinc/87/54/21/343875421.db2.gz TUMGQGHHBIUDKB-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130825673 343875686 /nfs/dbraw/zinc/87/56/86/343875686.db2.gz TUMGQGHHBIUDKB-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130825673 343875689 /nfs/dbraw/zinc/87/56/89/343875689.db2.gz TUMGQGHHBIUDKB-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130825884 343875746 /nfs/dbraw/zinc/87/57/46/343875746.db2.gz TUMGQGHHBIUDKB-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130825884 343875749 /nfs/dbraw/zinc/87/57/49/343875749.db2.gz TUMGQGHHBIUDKB-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130825447 343875800 /nfs/dbraw/zinc/87/58/00/343875800.db2.gz TUMGQGHHBIUDKB-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130825447 343875802 /nfs/dbraw/zinc/87/58/02/343875802.db2.gz TUMGQGHHBIUDKB-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130863673 343876481 /nfs/dbraw/zinc/87/64/81/343876481.db2.gz XLNKUWIOXRMEJR-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130863673 343876482 /nfs/dbraw/zinc/87/64/82/343876482.db2.gz XLNKUWIOXRMEJR-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130864319 343876559 /nfs/dbraw/zinc/87/65/59/343876559.db2.gz XLNKUWIOXRMEJR-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130864319 343876560 /nfs/dbraw/zinc/87/65/60/343876560.db2.gz XLNKUWIOXRMEJR-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]1CCC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)C1 130863886 343876724 /nfs/dbraw/zinc/87/67/24/343876724.db2.gz XLNKUWIOXRMEJR-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]1CCC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)C1 130863886 343876727 /nfs/dbraw/zinc/87/67/27/343876727.db2.gz XLNKUWIOXRMEJR-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP Cn1c[nH+]cc1C1(C)CC[NH2+]CC1 131235192 343883001 /nfs/dbraw/zinc/88/30/01/343883001.db2.gz QPUKGRFQPFOABR-UHFFFAOYSA-N 2 1 179.267 1.061 10 0 ADAEMP Cc1c[nH+]ccc1O[C@H]1CCC[C@H]1[NH3+] 131593069 343886501 /nfs/dbraw/zinc/88/65/01/343886501.db2.gz ALPMJQFRXDTYCL-KOLCDFICSA-N 2 1 192.262 1.649 10 0 ADAEMP CC1(C)C[C@H]([NH+]2CCCC2)C[NH2+]1 131767421 343888376 /nfs/dbraw/zinc/88/83/76/343888376.db2.gz ONIGGSGKTVTMTH-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP CC1(C)C[C@@H]([NH+]2CCCC2)C[NH2+]1 131767646 343888458 /nfs/dbraw/zinc/88/84/58/343888458.db2.gz ONIGGSGKTVTMTH-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 131885970 343890267 /nfs/dbraw/zinc/89/02/67/343890267.db2.gz ADKXBXCYPRFPQQ-YFKTTZPYSA-N 2 1 198.354 1.961 10 0 ADAEMP CN[C@H](C)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C)C1 131885767 343890391 /nfs/dbraw/zinc/89/03/91/343890391.db2.gz ADKXBXCYPRFPQQ-KXNHARMFSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]([NH+]2CCCC2)C1 131936493 343891014 /nfs/dbraw/zinc/89/10/14/343891014.db2.gz FLJBMRPZLZBBBU-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH+]2CCCC2)C1 131936743 343891113 /nfs/dbraw/zinc/89/11/13/343891113.db2.gz FLJBMRPZLZBBBU-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([NH+]2CCCC2)C1 131936954 343891200 /nfs/dbraw/zinc/89/12/00/343891200.db2.gz FLJBMRPZLZBBBU-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH+]2CCCC2)C1 131937155 343891395 /nfs/dbraw/zinc/89/13/95/343891395.db2.gz FLJBMRPZLZBBBU-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC(N)=[NH2+])C[C@@H]1C 131997441 343892222 /nfs/dbraw/zinc/89/22/22/343892222.db2.gz GGDAAYUYZSEYEU-IUCAKERBSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC(N)=[NH2+])C[C@@H]1C 131997203 343892441 /nfs/dbraw/zinc/89/24/41/343892441.db2.gz GGDAAYUYZSEYEU-BDAKNGLRSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2C[NH2+]C2)C[C@@H]1C 132033355 343892887 /nfs/dbraw/zinc/89/28/87/343892887.db2.gz OAMYYEGQFQNJPK-UWVGGRQHSA-N 2 1 182.311 1.184 10 0 ADAEMP C[N@H+]1CCC[C@H](C[NH2+]C2CC=CC2)C1 132532624 343900362 /nfs/dbraw/zinc/90/03/62/343900362.db2.gz UPCIYFRBNPCPKQ-LLVKDONJSA-N 2 1 194.322 1.636 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC=CC2)C1 132532829 343900383 /nfs/dbraw/zinc/90/03/83/343900383.db2.gz UPCIYFRBNPCPKQ-NSHDSACASA-N 2 1 194.322 1.636 10 0 ADAEMP C1=CCC([NH2+][C@@H]2CCC[NH2+]C2)C1 132576919 343900857 /nfs/dbraw/zinc/90/08/57/343900857.db2.gz ZNJCAOJLKIKDPZ-SNVBAGLBSA-N 2 1 166.268 1.047 10 0 ADAEMP C1=CCC([NH2+][C@H]2CCC[NH2+]C2)C1 132576717 343901017 /nfs/dbraw/zinc/90/10/17/343901017.db2.gz ZNJCAOJLKIKDPZ-JTQLQIEISA-N 2 1 166.268 1.047 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCCC[C@@H]1[NH3+] 132839787 343905262 /nfs/dbraw/zinc/90/52/62/343905262.db2.gz WHFYCEILJUBGCK-UWVGGRQHSA-N 2 1 179.267 1.634 10 0 ADAEMP C[NH2+]Cc1csc2c1CC[N@@H+](C)C2 132838650 343905271 /nfs/dbraw/zinc/90/52/71/343905271.db2.gz UXDMDMSJVUMWGM-UHFFFAOYSA-N 2 1 196.319 1.455 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCCC[C@@H]1[NH3+] 132839578 343905351 /nfs/dbraw/zinc/90/53/51/343905351.db2.gz WHFYCEILJUBGCK-VHSXEESVSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCCC[NH2+]C1 132848996 343905640 /nfs/dbraw/zinc/90/56/40/343905640.db2.gz QCSAJIPSYFBION-SNVBAGLBSA-N 2 1 179.267 1.506 10 0 ADAEMP Cc1c[nH+]cn1-c1ccccc1C[NH3+] 132849872 343905693 /nfs/dbraw/zinc/90/56/93/343905693.db2.gz DVDCONCHWGCHME-UHFFFAOYSA-N 2 1 187.246 1.639 10 0 ADAEMP Cc1c[nH+]cn1C[C@@H]1CCCC[NH2+]1 132840963 343905711 /nfs/dbraw/zinc/90/57/11/343905711.db2.gz BPSPKPIKZJONOC-JTQLQIEISA-N 2 1 179.267 1.334 10 0 ADAEMP CC[C@H](C[NH3+])n1c[nH+]cc1C 132850769 343905733 /nfs/dbraw/zinc/90/57/33/343905733.db2.gz XPQYBMDFFWSKBJ-MRVPVSSYSA-N 2 1 153.229 1.101 10 0 ADAEMP Cc1c[nH+]cn1C1(C[NH3+])CCCC1 132848759 343905736 /nfs/dbraw/zinc/90/57/36/343905736.db2.gz YTAFEFHBTIPAML-UHFFFAOYSA-N 2 1 179.267 1.420 10 0 ADAEMP Cc1c[nH+]cn1C[C@H]1CCCC[NH2+]1 132841171 343905765 /nfs/dbraw/zinc/90/57/65/343905765.db2.gz BPSPKPIKZJONOC-SNVBAGLBSA-N 2 1 179.267 1.334 10 0 ADAEMP CC[C@@H](C[NH3+])n1c[nH+]cc1C 132850541 343905778 /nfs/dbraw/zinc/90/57/78/343905778.db2.gz XPQYBMDFFWSKBJ-QMMMGPOBSA-N 2 1 153.229 1.101 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCCC[NH2+]C1 132849237 343905792 /nfs/dbraw/zinc/90/57/92/343905792.db2.gz QCSAJIPSYFBION-JTQLQIEISA-N 2 1 179.267 1.506 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCCC[C@H]1[NH3+] 132840187 343905847 /nfs/dbraw/zinc/90/58/47/343905847.db2.gz WHFYCEILJUBGCK-ZJUUUORDSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCCC[C@H]1[NH3+] 132839982 343905856 /nfs/dbraw/zinc/90/58/56/343905856.db2.gz WHFYCEILJUBGCK-NXEZZACHSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCC[C@H]1C[NH3+] 132852448 343906153 /nfs/dbraw/zinc/90/61/53/343906153.db2.gz KOWCUBATCHQTBH-UWVGGRQHSA-N 2 1 179.267 1.491 10 0 ADAEMP CCc1c[nH+]cn1C1CC([NH3+])C1 132862802 343906174 /nfs/dbraw/zinc/90/61/74/343906174.db2.gz SXCJVIBDSZQAOK-UHFFFAOYSA-N 2 1 165.240 1.108 10 0 ADAEMP Cc1c[nH+]cn1C1CCC([NH3+])CC1 132853578 343906201 /nfs/dbraw/zinc/90/62/01/343906201.db2.gz FWISNAGWFDJNEP-UHFFFAOYSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCC[C@@H]1C[NH3+] 132852006 343906277 /nfs/dbraw/zinc/90/62/77/343906277.db2.gz KOWCUBATCHQTBH-ZJUUUORDSA-N 2 1 179.267 1.491 10 0 ADAEMP CCc1c[nH+]cn1C1CC[NH2+]CC1 132864289 343906336 /nfs/dbraw/zinc/90/63/36/343906336.db2.gz KUKNIEWVWWGOQG-UHFFFAOYSA-N 2 1 179.267 1.370 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CCC[NH2+]C1 132874461 343906551 /nfs/dbraw/zinc/90/65/51/343906551.db2.gz RFCJFCHMRLRDEK-SNVBAGLBSA-N 2 1 179.267 1.370 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CCC[NH2+]C1 132874647 343906557 /nfs/dbraw/zinc/90/65/57/343906557.db2.gz RFCJFCHMRLRDEK-JTQLQIEISA-N 2 1 179.267 1.370 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CCC[C@H]1C[NH3+] 132881120 343906582 /nfs/dbraw/zinc/90/65/82/343906582.db2.gz MSBQWMNWDHNLOZ-GXSJLCMTSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CCC[C@@H]1C[NH3+] 132880698 343906680 /nfs/dbraw/zinc/90/66/80/343906680.db2.gz MSBQWMNWDHNLOZ-MWLCHTKSSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1c[nH+]cn1C1(C[NH3+])CCCC1 132877816 343906775 /nfs/dbraw/zinc/90/67/75/343906775.db2.gz VLGLVZGUTRJUDT-UHFFFAOYSA-N 2 1 193.294 1.674 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CCC[C@H]1C[NH3+] 132881290 343906817 /nfs/dbraw/zinc/90/68/17/343906817.db2.gz MSBQWMNWDHNLOZ-ONGXEEELSA-N 2 1 193.294 1.745 10 0 ADAEMP CCc1c[nH+]cn1C(C)(C)C[NH3+] 132872631 343906822 /nfs/dbraw/zinc/90/68/22/343906822.db2.gz GPCZPDQQFXPFRJ-UHFFFAOYSA-N 2 1 167.256 1.139 10 0 ADAEMP CC(C)c1c[nH+]cn1C1CC([NH3+])C1 132890536 343906836 /nfs/dbraw/zinc/90/68/36/343906836.db2.gz ULSNOWYQOJILJW-UHFFFAOYSA-N 2 1 179.267 1.669 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CCC[C@@H]1C[NH3+] 132880883 343906873 /nfs/dbraw/zinc/90/68/73/343906873.db2.gz MSBQWMNWDHNLOZ-KOLCDFICSA-N 2 1 193.294 1.745 10 0 ADAEMP CC(C)c1c[nH+]cn1C1C[NH2+]C1 132904823 343907065 /nfs/dbraw/zinc/90/70/65/343907065.db2.gz DUBWWGOIRSRHDJ-UHFFFAOYSA-N 2 1 165.240 1.151 10 0 ADAEMP CC(C)c1c[nH+]cn1[C@H]1CC[NH2+]C1 132894746 343907166 /nfs/dbraw/zinc/90/71/66/343907166.db2.gz DNFOTMUQWDXXDW-VIFPVBQESA-N 2 1 179.267 1.541 10 0 ADAEMP CC(C)c1c[nH+]cn1CC(C)(C)[NH3+] 132907096 343907238 /nfs/dbraw/zinc/90/72/38/343907238.db2.gz VPLUIDJTSYBMPE-UHFFFAOYSA-N 2 1 181.283 1.744 10 0 ADAEMP CC(C)c1c[nH+]cn1[C@@H]1CC[NH2+]C1 132894521 343907278 /nfs/dbraw/zinc/90/72/78/343907278.db2.gz DNFOTMUQWDXXDW-SECBINFHSA-N 2 1 179.267 1.541 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CC=CC2)C[C@@H]1C 133112703 343911816 /nfs/dbraw/zinc/91/18/16/343911816.db2.gz ARZSEYQKXFDIOW-JQWIXIFHSA-N 2 1 194.322 1.635 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC)CC[C@@H]1C[NH3+] 133095801 343911837 /nfs/dbraw/zinc/91/18/37/343911837.db2.gz JDISFOGEXYFNHH-NXEZZACHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C1CC=CC1 133113112 343911904 /nfs/dbraw/zinc/91/19/04/343911904.db2.gz OKCJFVCODVLRLS-VHSXEESVSA-N 2 1 180.295 1.517 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CC=CC2)C[C@H]1C 133112493 343912046 /nfs/dbraw/zinc/91/20/46/343912046.db2.gz ARZSEYQKXFDIOW-PWSUYJOCSA-N 2 1 194.322 1.635 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C1CC=CC1 133112926 343912126 /nfs/dbraw/zinc/91/21/26/343912126.db2.gz OKCJFVCODVLRLS-NXEZZACHSA-N 2 1 180.295 1.517 10 0 ADAEMP CC[C@H]1C[N@@H+](CC)CC[C@@H]1C[NH3+] 133095992 343912144 /nfs/dbraw/zinc/91/21/44/343912144.db2.gz JDISFOGEXYFNHH-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C1CC=CC1 133113470 343912173 /nfs/dbraw/zinc/91/21/73/343912173.db2.gz OKCJFVCODVLRLS-UWVGGRQHSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC=CC2)CC[C@@H]1[NH3+] 133106090 343912204 /nfs/dbraw/zinc/91/22/04/343912204.db2.gz UXNNDYPHGJWZHO-KOLCDFICSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@H]1C[N@H+](C2CC=CC2)CC[C@@H]1[NH3+] 133106323 343912229 /nfs/dbraw/zinc/91/22/29/343912229.db2.gz UXNNDYPHGJWZHO-ONGXEEELSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@H]1CC(C[NH3+])([NH2+]C2CC2)C[C@H](C)O1 133455199 343919281 /nfs/dbraw/zinc/91/92/81/343919281.db2.gz MLYVRNQUMLNQSF-IUCAKERBSA-N 2 1 198.310 1.023 10 0 ADAEMP C[C@@H]1CC(C[NH3+])([NH2+]C2CC2)C[C@@H](C)O1 133455418 343919348 /nfs/dbraw/zinc/91/93/48/343919348.db2.gz MLYVRNQUMLNQSF-RKDXNWHRSA-N 2 1 198.310 1.023 10 0 ADAEMP [NH3+]C1CC(n2c[nH+]cc2C2CC2)C1 133471834 343920025 /nfs/dbraw/zinc/92/00/25/343920025.db2.gz YTXLTRGUEWECMV-UHFFFAOYSA-N 2 1 177.251 1.423 10 0 ADAEMP CC(C)Cc1c[nH+]cn1[C@H]1CC[NH2+]C1 133496831 343920377 /nfs/dbraw/zinc/92/03/77/343920377.db2.gz OYLIFDLWUIUDHR-JTQLQIEISA-N 2 1 193.294 1.616 10 0 ADAEMP CC(C)Cc1c[nH+]cn1[C@@H]1CC[NH2+]C1 133496628 343920383 /nfs/dbraw/zinc/92/03/83/343920383.db2.gz OYLIFDLWUIUDHR-SNVBAGLBSA-N 2 1 193.294 1.616 10 0 ADAEMP C[C@H]1CCC[C@@H](C)N1C[C@@H]([NH3+])C1CC1 134171653 343935738 /nfs/dbraw/zinc/93/57/38/343935738.db2.gz OXQFZWMLZQYADI-JFGNBEQYSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H](C[N@H+]1[C@@H](C)CCC[C@H]1C)C(N)=[NH2+] 134187479 343936054 /nfs/dbraw/zinc/93/60/54/343936054.db2.gz GMJIOTNQPHHBKG-LPEHRKFASA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CC1(C[NH3+])CC1 134202572 343936308 /nfs/dbraw/zinc/93/63/08/343936308.db2.gz DZVFIYXZHGEZNX-PHIMTYICSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1CC1C[NH2+]C1 134203520 343936623 /nfs/dbraw/zinc/93/66/23/343936623.db2.gz UUTGPQFOLOYTEZ-AOOOYVTPSA-N 2 1 182.311 1.469 10 0 ADAEMP Cc1cc[nH+]c(N[C@@H](C)CC[NH3+])c1 134269533 343937904 /nfs/dbraw/zinc/93/79/04/343937904.db2.gz XDJZGUHFBNDONN-VIFPVBQESA-N 2 1 179.267 1.539 10 0 ADAEMP Cc1cc[nH+]c(N[C@H](C)CC[NH3+])c1 134269553 343938101 /nfs/dbraw/zinc/93/81/01/343938101.db2.gz XDJZGUHFBNDONN-SECBINFHSA-N 2 1 179.267 1.539 10 0 ADAEMP Cc1ccc(N[C@H](C)CC[NH3+])[nH+]c1 134273473 343938429 /nfs/dbraw/zinc/93/84/29/343938429.db2.gz IGYREKZSNKOUJW-SECBINFHSA-N 2 1 179.267 1.539 10 0 ADAEMP Cc1cc(N[C@H](C)CC[NH3+])nc(C)[nH+]1 134274478 343938498 /nfs/dbraw/zinc/93/84/98/343938498.db2.gz VDJQYVFEHNHFMD-SSDOTTSWSA-N 2 1 194.282 1.243 10 0 ADAEMP Cc1cccc(N[C@@H](C)CC[NH3+])[nH+]1 134272903 343938541 /nfs/dbraw/zinc/93/85/41/343938541.db2.gz YRFGUDJJPHZCPI-VIFPVBQESA-N 2 1 179.267 1.539 10 0 ADAEMP Cc1ccc(N[C@@H](C)CC[NH3+])[nH+]c1 134273451 343938621 /nfs/dbraw/zinc/93/86/21/343938621.db2.gz IGYREKZSNKOUJW-VIFPVBQESA-N 2 1 179.267 1.539 10 0 ADAEMP CC[C@H]1CCCCC[N@@H+]1CC(N)=[NH2+] 134363465 343941390 /nfs/dbraw/zinc/94/13/90/343941390.db2.gz HUWDCBPTNSADOI-VIFPVBQESA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@H]1CCCCC[N@H+]1CC(N)=[NH2+] 134363465 343941392 /nfs/dbraw/zinc/94/13/92/343941392.db2.gz HUWDCBPTNSADOI-VIFPVBQESA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@@H]1CCCCC[N@@H+]1CC(N)=[NH2+] 134363442 343941541 /nfs/dbraw/zinc/94/15/41/343941541.db2.gz HUWDCBPTNSADOI-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP CC[C@@H]1CCCCC[N@H+]1CC(N)=[NH2+] 134363442 343941543 /nfs/dbraw/zinc/94/15/43/343941543.db2.gz HUWDCBPTNSADOI-SECBINFHSA-N 2 1 183.299 1.577 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@]12CCC[N@@H+](C)C2 134373225 343941884 /nfs/dbraw/zinc/94/18/84/343941884.db2.gz BHFAUCTWMHSJLO-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@@H]1C[NH2+]CC[C@@]12CCC[N@@H+](C)C2 134373544 343941887 /nfs/dbraw/zinc/94/18/87/343941887.db2.gz YTJWNRAJFQNVMG-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@]12CCC[N@@H+](C)C2 134373161 343941909 /nfs/dbraw/zinc/94/19/09/343941909.db2.gz BHFAUCTWMHSJLO-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@]12CCC[N@@H+](C)C2 134373181 343941947 /nfs/dbraw/zinc/94/19/47/343941947.db2.gz BHFAUCTWMHSJLO-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2[C@@H]1CC[NH2+]C1 134822144 343949526 /nfs/dbraw/zinc/94/95/26/343949526.db2.gz QDGRMZIXGUXBOC-QJPTWQEYSA-N 2 1 194.322 1.613 10 0 ADAEMP [NH3+]CCC[N@H+]1CC[C@H]2CCCC[C@@H]21 134811624 343949621 /nfs/dbraw/zinc/94/96/21/343949621.db2.gz OOVZKAVXVQYVOU-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CCC[N@H+]1CC[C@@H]2CCCC[C@H]21 134811559 343949639 /nfs/dbraw/zinc/94/96/39/343949639.db2.gz OOVZKAVXVQYVOU-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CCC[N@H+]1CC[C@H]2CCCC[C@H]21 134811601 343949674 /nfs/dbraw/zinc/94/96/74/343949674.db2.gz OOVZKAVXVQYVOU-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]21 134827430 343949706 /nfs/dbraw/zinc/94/97/06/343949706.db2.gz WVZIVJACKCZDFK-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 134823693 343949804 /nfs/dbraw/zinc/94/98/04/343949804.db2.gz OOLLXGFBNOERBC-IUCAKERBSA-N 2 1 181.283 1.187 10 0 ADAEMP NC(=[NH2+])C[N@H+]1CC[C@@H]2CCCC[C@@H]21 134823693 343949805 /nfs/dbraw/zinc/94/98/05/343949805.db2.gz OOLLXGFBNOERBC-IUCAKERBSA-N 2 1 181.283 1.187 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2CCCC[C@@H]21 134811318 343949818 /nfs/dbraw/zinc/94/98/18/343949818.db2.gz JSHCPNURPFBUQX-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]21 134817639 343949851 /nfs/dbraw/zinc/94/98/51/343949851.db2.gz HYBADHXNTPHGDR-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H]2CCCC[C@@H]21 134816861 343949895 /nfs/dbraw/zinc/94/98/95/343949895.db2.gz XJCSHBWHUVSWEC-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCCC[C@@H]21 134817615 343949962 /nfs/dbraw/zinc/94/99/62/343949962.db2.gz HYBADHXNTPHGDR-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1CC[C@@H]2CCCC[C@H]21 134823665 343949999 /nfs/dbraw/zinc/94/99/99/343949999.db2.gz OOLLXGFBNOERBC-DTWKUNHWSA-N 2 1 181.283 1.187 10 0 ADAEMP NC(=[NH2+])C[N@H+]1CC[C@@H]2CCCC[C@H]21 134823665 343950002 /nfs/dbraw/zinc/95/00/02/343950002.db2.gz OOLLXGFBNOERBC-DTWKUNHWSA-N 2 1 181.283 1.187 10 0 ADAEMP CC(C)[N@@H+](C)C[C@]1(C)CCC[C@@H]1[NH3+] 134947396 343951735 /nfs/dbraw/zinc/95/17/35/343951735.db2.gz NIDDYOPRRSRUBO-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C[C@]1(C)CCC[C@H]1[NH3+])C1CC1 134948245 343951847 /nfs/dbraw/zinc/95/18/47/343951847.db2.gz UJOVMXCNJVFEFV-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C[C@@]1(C)CCC[C@@H]1[NH3+])C1CC1 134948192 343951859 /nfs/dbraw/zinc/95/18/59/343951859.db2.gz UJOVMXCNJVFEFV-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C[C@@]1(C)CCC[C@H]1[NH3+])C1CC1 134948228 343951966 /nfs/dbraw/zinc/95/19/66/343951966.db2.gz UJOVMXCNJVFEFV-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@]1(C)CCC[C@@H]1[NH3+] 134947417 343952097 /nfs/dbraw/zinc/95/20/97/343952097.db2.gz NIDDYOPRRSRUBO-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C[C@]1(C)CCC[C@@H]1[NH3+])C1CC1 134948208 343952106 /nfs/dbraw/zinc/95/21/06/343952106.db2.gz UJOVMXCNJVFEFV-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]ccn1-c1cncc(C[NH3+])c1 135134318 343955200 /nfs/dbraw/zinc/95/52/00/343955200.db2.gz WCVKXSRUBGCIAY-UHFFFAOYSA-N 2 1 188.234 1.034 10 0 ADAEMP Cc1ccc(NCC(C)(C)C[NH3+])[nH+]c1 135213318 343957113 /nfs/dbraw/zinc/95/71/13/343957113.db2.gz XEIMJWNMYUHRAI-UHFFFAOYSA-N 2 1 193.294 1.787 10 0 ADAEMP Cc1ccc(NCCC[NH3+])c(C)[nH+]1 135310510 343958299 /nfs/dbraw/zinc/95/82/99/343958299.db2.gz RMEYMAUHVQJCOD-UHFFFAOYSA-N 2 1 179.267 1.459 10 0 ADAEMP CC[C@H]1CC[C@H](C)[N@@H+]1CC(N)=[NH2+] 136199969 343976979 /nfs/dbraw/zinc/97/69/79/343976979.db2.gz PREDUULIPXNYIL-YUMQZZPRSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@H]1CC[C@H](C)[N@H+]1CC(N)=[NH2+] 136199969 343976981 /nfs/dbraw/zinc/97/69/81/343976981.db2.gz PREDUULIPXNYIL-YUMQZZPRSA-N 2 1 169.272 1.185 10 0 ADAEMP CC[C@@H]1CC[C@H](C)[N@H+]1C1CC([NH3+])C1 136772281 343981810 /nfs/dbraw/zinc/98/18/10/343981810.db2.gz XCCGNDRSYZNZQH-QPBDYMMBSA-N 2 1 182.311 1.739 10 0 ADAEMP CC[C@H]1CC[C@@H](C)[N@H+]1C1CC([NH3+])C1 136772436 343982061 /nfs/dbraw/zinc/98/20/61/343982061.db2.gz XCCGNDRSYZNZQH-VKAADOFISA-N 2 1 182.311 1.739 10 0 ADAEMP CC[C@H]1CC[C@H](C)[N@H+]1C1CC([NH3+])C1 136772328 343982078 /nfs/dbraw/zinc/98/20/78/343982078.db2.gz XCCGNDRSYZNZQH-XEAZBWPWSA-N 2 1 182.311 1.739 10 0 ADAEMP CC[C@@H]1CC[C@@H](C)[N@H+]1C1CC([NH3+])C1 136772385 343982108 /nfs/dbraw/zinc/98/21/08/343982108.db2.gz XCCGNDRSYZNZQH-BZCXBAJXSA-N 2 1 182.311 1.739 10 0 ADAEMP CC[N@@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 138008941 343987859 /nfs/dbraw/zinc/98/78/59/343987859.db2.gz VBTYXHPIMMRWPZ-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 138008941 343987861 /nfs/dbraw/zinc/98/78/61/343987861.db2.gz VBTYXHPIMMRWPZ-NXEZZACHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@H]1CN1CCCC1=[NH2+] 138878785 343990887 /nfs/dbraw/zinc/99/08/87/343990887.db2.gz UKIBDCZSIWWHRN-JTQLQIEISA-N 2 1 195.310 1.544 10 0 ADAEMP C[C@@H](C[N@H+]1CCCC[C@@H]1C)C(N)=[NH2+] 139258496 343993507 /nfs/dbraw/zinc/99/35/07/343993507.db2.gz CTAVAJXXSICZLU-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@H](C)C(N)=[NH2+])C1 139259409 343993760 /nfs/dbraw/zinc/99/37/60/343993760.db2.gz WEHRDRQSKIWISP-IUCAKERBSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@H]1Cc2ccccc2[C@@H](CN)[NH2+]1 139903885 343996737 /nfs/dbraw/zinc/99/67/37/343996737.db2.gz GAIKGQYGTJKHRA-GZMMTYOYSA-N 2 1 176.263 1.221 10 0 ADAEMP Cc1c[nH+]cn1[C@@H](C)CC[NH3+] 140072644 343997753 /nfs/dbraw/zinc/99/77/53/343997753.db2.gz DGKXNMQEKLRPSM-ZETCQYMHSA-N 2 1 153.229 1.101 10 0 ADAEMP Cc1c[nH+]cn1[C@H](C)CC[NH3+] 140072785 343997965 /nfs/dbraw/zinc/99/79/65/343997965.db2.gz DGKXNMQEKLRPSM-SSDOTTSWSA-N 2 1 153.229 1.101 10 0 ADAEMP CCCCC[NH2+][C@H](C)C[NH3+] 141219130 344004519 /nfs/dbraw/zinc/00/45/19/344004519.db2.gz VCPGTOXGFNNAKQ-MRVPVSSYSA-N 2 1 144.262 1.113 10 0 ADAEMP CCCCC[NH2+][C@@H](C)C[NH3+] 141218960 344004562 /nfs/dbraw/zinc/00/45/62/344004562.db2.gz VCPGTOXGFNNAKQ-QMMMGPOBSA-N 2 1 144.262 1.113 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 141555653 344006758 /nfs/dbraw/zinc/00/67/58/344006758.db2.gz PDLVIAZUWPLUFC-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 141555456 344006962 /nfs/dbraw/zinc/00/69/62/344006962.db2.gz PDLVIAZUWPLUFC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@H+]1C 142071738 344009765 /nfs/dbraw/zinc/00/97/65/344009765.db2.gz XNFVQAYWWFVWAE-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+]1C 142071105 344009758 /nfs/dbraw/zinc/00/97/58/344009758.db2.gz XNFVQAYWWFVWAE-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+]1C 142071105 344009760 /nfs/dbraw/zinc/00/97/60/344009760.db2.gz XNFVQAYWWFVWAE-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@H](C)[C@H]1CCC[N@@H+]1C 142071738 344009763 /nfs/dbraw/zinc/00/97/63/344009763.db2.gz XNFVQAYWWFVWAE-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+]1C 142071523 344009843 /nfs/dbraw/zinc/00/98/43/344009843.db2.gz XNFVQAYWWFVWAE-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+]1C 142071523 344009845 /nfs/dbraw/zinc/00/98/45/344009845.db2.gz XNFVQAYWWFVWAE-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+]1C 142071320 344009892 /nfs/dbraw/zinc/00/98/92/344009892.db2.gz XNFVQAYWWFVWAE-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H]1CCC[N@H+]1C 142071320 344009893 /nfs/dbraw/zinc/00/98/93/344009893.db2.gz XNFVQAYWWFVWAE-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP F[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 142408532 344012597 /nfs/dbraw/zinc/01/25/97/344012597.db2.gz JUYGUEGYFDCWAE-SNVBAGLBSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@@H]1Cc2ccccc2[C@H](CN)[NH2+]1 142703918 344014048 /nfs/dbraw/zinc/01/40/48/344014048.db2.gz GAIKGQYGTJKHRA-KCJUWKMLSA-N 2 1 176.263 1.221 10 0 ADAEMP C[NH+](C)[C@H]1CCC[N@@H+](C)CC1 142792125 344014623 /nfs/dbraw/zinc/01/46/23/344014623.db2.gz HKKTWRWISKQDIA-VIFPVBQESA-N 2 1 156.273 1.032 10 0 ADAEMP C[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 142791914 344014781 /nfs/dbraw/zinc/01/47/81/344014781.db2.gz HKKTWRWISKQDIA-SECBINFHSA-N 2 1 156.273 1.032 10 0 ADAEMP [NH3+][C@H]1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 142838434 344015211 /nfs/dbraw/zinc/01/52/11/344015211.db2.gz XVNCEYGZCTXFSZ-RTCCRHLQSA-N 2 1 180.295 1.351 10 0 ADAEMP CC[N@@H+]1CCCC[C@H]([NH2+]C)C1 143176682 344017322 /nfs/dbraw/zinc/01/73/22/344017322.db2.gz LTNJQPITNAAFIX-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@H+]1CCCC[C@H]([NH2+]C)C1 143176682 344017324 /nfs/dbraw/zinc/01/73/24/344017324.db2.gz LTNJQPITNAAFIX-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@@H+]1CCCC[C@@H]([NH2+]C)C1 143176920 344017434 /nfs/dbraw/zinc/01/74/34/344017434.db2.gz LTNJQPITNAAFIX-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]([NH2+]C)C1 143176920 344017436 /nfs/dbraw/zinc/01/74/36/344017436.db2.gz LTNJQPITNAAFIX-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@H](n2ccnc2)C1 143397579 344018777 /nfs/dbraw/zinc/01/87/77/344018777.db2.gz KEUNCEAEKVGOMH-JTQLQIEISA-N 2 1 193.294 1.928 10 0 ADAEMP CC(C)(C)[N@H+]1CC[C@@H](n2ccnc2)C1 143397782 344018876 /nfs/dbraw/zinc/01/88/76/344018876.db2.gz KEUNCEAEKVGOMH-SNVBAGLBSA-N 2 1 193.294 1.928 10 0 ADAEMP CC(C)(C)[N@H+]1CCC[C@H]1CC[NH3+] 143563013 344020318 /nfs/dbraw/zinc/02/03/18/344020318.db2.gz XGWFMRIWARDLIZ-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP Nc1[nH+]cccc1[C@H]1CCC[NH2+]CC1 144139571 344024569 /nfs/dbraw/zinc/02/45/69/344024569.db2.gz SHBSLKCBUOQTJJ-VIFPVBQESA-N 2 1 191.278 1.521 10 0 ADAEMP Nc1[nH+]cccc1[C@@H]1CCC[NH2+]CC1 144139346 344024580 /nfs/dbraw/zinc/02/45/80/344024580.db2.gz SHBSLKCBUOQTJJ-SECBINFHSA-N 2 1 191.278 1.521 10 0 ADAEMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1 144355304 344026115 /nfs/dbraw/zinc/02/61/15/344026115.db2.gz HATVPLVUTQKPEI-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CC1 144355304 344026117 /nfs/dbraw/zinc/02/61/17/344026117.db2.gz HATVPLVUTQKPEI-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC1 144355093 344026130 /nfs/dbraw/zinc/02/61/30/344026130.db2.gz HATVPLVUTQKPEI-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 145255570 344031770 /nfs/dbraw/zinc/03/17/70/344031770.db2.gz OZIUGRNQVBXUQV-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 145255570 344031771 /nfs/dbraw/zinc/03/17/71/344031771.db2.gz OZIUGRNQVBXUQV-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+](C[C@H]1CCCC[NH2+]1)C1CCC1 145471033 344033976 /nfs/dbraw/zinc/03/39/76/344033976.db2.gz TXANZPILSWNWBD-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+](C[C@H]1CCCC[NH2+]1)C1CCC1 145471033 344033978 /nfs/dbraw/zinc/03/39/78/344033978.db2.gz TXANZPILSWNWBD-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@H+](C[C@@H]1CCCC[NH2+]1)C1CCC1 145470831 344034109 /nfs/dbraw/zinc/03/41/09/344034109.db2.gz TXANZPILSWNWBD-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[N@@H+](C[C@@H]1CCCC[NH2+]1)C1CCC1 145470831 344034112 /nfs/dbraw/zinc/03/41/12/344034112.db2.gz TXANZPILSWNWBD-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[C@@H](F)C[NH+]1CCC([NH3+])CC1 145915741 344037121 /nfs/dbraw/zinc/03/71/21/344037121.db2.gz PHLPLMANEZXGPM-SECBINFHSA-N 2 1 188.290 1.548 10 0 ADAEMP CCC[C@H](F)C[NH+]1CCC([NH3+])CC1 145915919 344037229 /nfs/dbraw/zinc/03/72/29/344037229.db2.gz PHLPLMANEZXGPM-VIFPVBQESA-N 2 1 188.290 1.548 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 146048166 344038288 /nfs/dbraw/zinc/03/82/88/344038288.db2.gz IHMZHWLOOVNNHV-LLVKDONJSA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 146048166 344038291 /nfs/dbraw/zinc/03/82/91/344038291.db2.gz IHMZHWLOOVNNHV-LLVKDONJSA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 146048166 344038293 /nfs/dbraw/zinc/03/82/93/344038293.db2.gz IHMZHWLOOVNNHV-LLVKDONJSA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 146048365 344038413 /nfs/dbraw/zinc/03/84/13/344038413.db2.gz IHMZHWLOOVNNHV-NSHDSACASA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 146048365 344038416 /nfs/dbraw/zinc/03/84/16/344038416.db2.gz IHMZHWLOOVNNHV-NSHDSACASA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 146048365 344038418 /nfs/dbraw/zinc/03/84/18/344038418.db2.gz IHMZHWLOOVNNHV-NSHDSACASA-N 2 1 182.311 1.422 10 0 ADAEMP CC(C)(C)[N@H+]1CCCC[C@@H](N)C1 148315088 344052578 /nfs/dbraw/zinc/05/25/78/344052578.db2.gz ARLOUHLATZIFMO-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)(C)[N@H+]1CCCC[C@H](N)C1 148315305 344052635 /nfs/dbraw/zinc/05/26/35/344052635.db2.gz ARLOUHLATZIFMO-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 149379323 344064891 /nfs/dbraw/zinc/06/48/91/344064891.db2.gz RYHSIKHNJIDWKU-VHSXEESVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 149379323 344064894 /nfs/dbraw/zinc/06/48/94/344064894.db2.gz RYHSIKHNJIDWKU-VHSXEESVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@](F)(C[NH3+])[C@@H]1CCCC[NH2+]1 156492092 344089668 /nfs/dbraw/zinc/08/96/68/344089668.db2.gz UMQLBMVOJGCPRX-IUCAKERBSA-N 2 1 174.263 1.206 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H](C)CC[NH3+])C1 149921420 344073252 /nfs/dbraw/zinc/07/32/52/344073252.db2.gz TZKXBNIAYJIQLO-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]([NH2+]C)C2)C1 150067145 344076027 /nfs/dbraw/zinc/07/60/27/344076027.db2.gz PTSRZXYVIAUXQT-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH2+]C)C2)C1 150066686 344076259 /nfs/dbraw/zinc/07/62/59/344076259.db2.gz PTSRZXYVIAUXQT-WOPDTQHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 156083901 344080386 /nfs/dbraw/zinc/08/03/86/344080386.db2.gz IHSFMLQXQNHMHC-DDHJBXDOSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 156242093 344082467 /nfs/dbraw/zinc/08/24/67/344082467.db2.gz AREWIRMTQQYAKI-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 156242093 344082469 /nfs/dbraw/zinc/08/24/69/344082469.db2.gz AREWIRMTQQYAKI-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 156242346 344082617 /nfs/dbraw/zinc/08/26/17/344082617.db2.gz AREWIRMTQQYAKI-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 156242346 344082619 /nfs/dbraw/zinc/08/26/19/344082619.db2.gz AREWIRMTQQYAKI-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@]1(F)CCC[NH2+]C1 156379120 344084520 /nfs/dbraw/zinc/08/45/20/344084520.db2.gz UZQXRGJUGBWKCG-DTWKUNHWSA-N 2 1 174.263 1.076 10 0 ADAEMP CC[NH2+][C@H](C)[C@@]1(F)CCC[NH2+]C1 156379242 344084526 /nfs/dbraw/zinc/08/45/26/344084526.db2.gz UZQXRGJUGBWKCG-RKDXNWHRSA-N 2 1 174.263 1.076 10 0 ADAEMP CC[NH2+][C@H](C)[C@]1(F)CCC[NH2+]C1 156379002 344084706 /nfs/dbraw/zinc/08/47/06/344084706.db2.gz UZQXRGJUGBWKCG-BDAKNGLRSA-N 2 1 174.263 1.076 10 0 ADAEMP CC[NH2+][C@@H](C)[C@]1(F)CCC[NH2+]C1 156378888 344084720 /nfs/dbraw/zinc/08/47/20/344084720.db2.gz UZQXRGJUGBWKCG-IUCAKERBSA-N 2 1 174.263 1.076 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]([C@](C)(F)C[NH3+])C1 156447927 344087290 /nfs/dbraw/zinc/08/72/90/344087290.db2.gz VEFOTYHSALSBFX-IWSPIJDZSA-N 2 1 174.263 1.061 10 0 ADAEMP C[C@@](F)(C[NH3+])[C@H]1CCCCC[NH2+]1 156444399 344087459 /nfs/dbraw/zinc/08/74/59/344087459.db2.gz XGHAYBUADORLCJ-RKDXNWHRSA-N 2 1 174.263 1.206 10 0 ADAEMP C[C@](F)(C[NH3+])[C@H]1CCCCC[NH2+]1 156444520 344087539 /nfs/dbraw/zinc/08/75/39/344087539.db2.gz XGHAYBUADORLCJ-BDAKNGLRSA-N 2 1 174.263 1.206 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H]([C@](C)(F)C[NH3+])C1 156447688 344087579 /nfs/dbraw/zinc/08/75/79/344087579.db2.gz VEFOTYHSALSBFX-HRDYMLBCSA-N 2 1 174.263 1.061 10 0 ADAEMP C[C@@](F)(C[NH3+])[C@@H]1CCCCC[NH2+]1 156444140 344087620 /nfs/dbraw/zinc/08/76/20/344087620.db2.gz XGHAYBUADORLCJ-DTWKUNHWSA-N 2 1 174.263 1.206 10 0 ADAEMP C[C@](F)(C[NH3+])[C@@H]1CCCCC[NH2+]1 156444271 344087666 /nfs/dbraw/zinc/08/76/66/344087666.db2.gz XGHAYBUADORLCJ-IUCAKERBSA-N 2 1 174.263 1.206 10 0 ADAEMP CC[C@](F)(C[NH3+])[C@H]1CCCC[NH2+]1 156492327 344089453 /nfs/dbraw/zinc/08/94/53/344089453.db2.gz UMQLBMVOJGCPRX-BDAKNGLRSA-N 2 1 174.263 1.206 10 0 ADAEMP CC[C@@](F)(C[NH3+])[C@@H]1CCCC[NH2+]1 156491962 344089583 /nfs/dbraw/zinc/08/95/83/344089583.db2.gz UMQLBMVOJGCPRX-DTWKUNHWSA-N 2 1 174.263 1.206 10 0 ADAEMP CC[C@@](F)(C[NH3+])[C@H]1CCCC[NH2+]1 156492204 344089624 /nfs/dbraw/zinc/08/96/24/344089624.db2.gz UMQLBMVOJGCPRX-RKDXNWHRSA-N 2 1 174.263 1.206 10 0 ADAEMP C[C@@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCS2 156980809 344098117 /nfs/dbraw/zinc/09/81/17/344098117.db2.gz RJDZQZZSHVHIRN-BDAKNGLRSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCS2 156980809 344098120 /nfs/dbraw/zinc/09/81/20/344098120.db2.gz RJDZQZZSHVHIRN-BDAKNGLRSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCS2 156981279 344098170 /nfs/dbraw/zinc/09/81/70/344098170.db2.gz RJDZQZZSHVHIRN-DTWKUNHWSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCS2 156981279 344098173 /nfs/dbraw/zinc/09/81/73/344098173.db2.gz RJDZQZZSHVHIRN-DTWKUNHWSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCS2 156980966 344098379 /nfs/dbraw/zinc/09/83/79/344098379.db2.gz RJDZQZZSHVHIRN-IUCAKERBSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCS2 156980966 344098380 /nfs/dbraw/zinc/09/83/80/344098380.db2.gz RJDZQZZSHVHIRN-IUCAKERBSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCS2 156981122 344098510 /nfs/dbraw/zinc/09/85/10/344098510.db2.gz RJDZQZZSHVHIRN-RKDXNWHRSA-N 2 1 186.324 1.133 10 0 ADAEMP C[C@@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCS2 156981122 344098511 /nfs/dbraw/zinc/09/85/11/344098511.db2.gz RJDZQZZSHVHIRN-RKDXNWHRSA-N 2 1 186.324 1.133 10 0 ADAEMP [NH3+]C/C=C1/CC[N@H+]2CCC[C@H]2C1 157022100 344099230 /nfs/dbraw/zinc/09/92/30/344099230.db2.gz HLRTXFPZEMHKEL-BNFOFFDWSA-N 2 1 166.268 1.130 10 0 ADAEMP [NH3+]C/C=C1/CC[N@H+]2CCC[C@@H]2C1 157021992 344099249 /nfs/dbraw/zinc/09/92/49/344099249.db2.gz HLRTXFPZEMHKEL-KSXVILFYSA-N 2 1 166.268 1.130 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+]2CCC[C@@H]2C1 157022621 344099295 /nfs/dbraw/zinc/09/92/95/344099295.db2.gz NUGZDOUMRXGEPT-LBQOUHFTSA-N 2 1 180.295 1.520 10 0 ADAEMP C[C@@H]1C[C@H]([C@@H]2CC[NH2+]C2)CC[N@H+]1C 157025190 344099368 /nfs/dbraw/zinc/09/93/68/344099368.db2.gz IQIDWXLRZWCDRU-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C/C(=C\CC[NH3+])CC[N@H+]1C 157022279 344099487 /nfs/dbraw/zinc/09/94/87/344099487.db2.gz KWZSTQXQAUOWPR-BABIGQSTSA-N 2 1 168.284 1.376 10 0 ADAEMP C[C@]1(C[NH+]2CCCC2)CCCC[NH2+]1 157279645 344102320 /nfs/dbraw/zinc/10/23/20/344102320.db2.gz CHTHLVISQBEHDN-LLVKDONJSA-N 2 1 182.311 1.614 10 0 ADAEMP C[C@@]1(C[NH+]2CCCC2)CCCC[NH2+]1 157279798 344102685 /nfs/dbraw/zinc/10/26/85/344102685.db2.gz CHTHLVISQBEHDN-NSHDSACASA-N 2 1 182.311 1.614 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](C2CCC2)C1 157381319 344104715 /nfs/dbraw/zinc/10/47/15/344104715.db2.gz JXYGUTZIVFHKJK-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+](C2CCC2)C1 157381190 344104767 /nfs/dbraw/zinc/10/47/67/344104767.db2.gz JXYGUTZIVFHKJK-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+](C2CCC2)C1 157381470 344105139 /nfs/dbraw/zinc/10/51/39/344105139.db2.gz JXYGUTZIVFHKJK-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CCc1cn2c([nH+]1)[C@H](C)C[C@@H]([NH3+])C2 157764666 344113478 /nfs/dbraw/zinc/11/34/78/344113478.db2.gz OIMGNDHJAUOBTP-HTQZYQBOSA-N 2 1 179.267 1.280 10 0 ADAEMP CCc1cn2c([nH+]1)[C@@H](C)C[C@H]([NH3+])C2 157764521 344113657 /nfs/dbraw/zinc/11/36/57/344113657.db2.gz OIMGNDHJAUOBTP-YUMQZZPRSA-N 2 1 179.267 1.280 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1C[C@H](C)C[C@@H]1C 157763614 344113676 /nfs/dbraw/zinc/11/36/76/344113676.db2.gz NBEQQUVOPCLKEB-KXUCPTDWSA-N 2 1 170.300 1.454 10 0 ADAEMP CCc1cn2c([nH+]1)[C@H](C)C[C@H]([NH3+])C2 157764375 344113847 /nfs/dbraw/zinc/11/38/47/344113847.db2.gz OIMGNDHJAUOBTP-SFYZADRCSA-N 2 1 179.267 1.280 10 0 ADAEMP CCc1cn2c([nH+]1)[C@@H](C)C[C@@H]([NH3+])C2 157764807 344113886 /nfs/dbraw/zinc/11/38/86/344113886.db2.gz OIMGNDHJAUOBTP-JGVFFNPUSA-N 2 1 179.267 1.280 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@H+](C2CC[NH2+]CC2)C1 157870946 344115290 /nfs/dbraw/zinc/11/52/90/344115290.db2.gz XIQCCOSAZNNXNN-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1C1CC[NH2+]CC1 157870640 344115536 /nfs/dbraw/zinc/11/55/36/344115536.db2.gz XIQCCOSAZNNXNN-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@H+](C2CC[NH2+]CC2)C1 157871093 344115712 /nfs/dbraw/zinc/11/57/12/344115712.db2.gz XIQCCOSAZNNXNN-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H]1C[N@H+](C2CCCC2)CC[C@@H]1[NH3+] 157894251 344115943 /nfs/dbraw/zinc/11/59/43/344115943.db2.gz CTKYCLGNYGBTKH-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])C2CCCC2)C1 157877747 344115974 /nfs/dbraw/zinc/11/59/74/344115974.db2.gz RQMYJBRUFXYUEW-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H](C)C(N)=[NH2+] 157892274 344116244 /nfs/dbraw/zinc/11/62/44/344116244.db2.gz SEDCDWKPXIGYPU-CSMHCCOUSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1[C@@H](C)C(N)=[NH2+] 157892274 344116246 /nfs/dbraw/zinc/11/62/46/344116246.db2.gz SEDCDWKPXIGYPU-CSMHCCOUSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]([NH3+])C2CCCC2)C1 157877896 344116323 /nfs/dbraw/zinc/11/63/23/344116323.db2.gz RQMYJBRUFXYUEW-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CCCC2)CC[C@@H]1[NH3+] 157894095 344116309 /nfs/dbraw/zinc/11/63/09/344116309.db2.gz CTKYCLGNYGBTKH-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](CC(C)(C)C[NH3+])C1 157975097 344116499 /nfs/dbraw/zinc/11/64/99/344116499.db2.gz HCJJJXWLRKHXIJ-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](CC(C)(C)C[NH3+])C1 157975236 344116682 /nfs/dbraw/zinc/11/66/82/344116682.db2.gz HCJJJXWLRKHXIJ-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](CC(C)(C)C[NH3+])C1 157975382 344116887 /nfs/dbraw/zinc/11/68/87/344116887.db2.gz HCJJJXWLRKHXIJ-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1CC(C)(C)C[NH3+] 157974947 344116898 /nfs/dbraw/zinc/11/68/98/344116898.db2.gz HCJJJXWLRKHXIJ-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP F[C@@]1([C@H]2CCCC[NH2+]2)CCC[NH2+]C1 158101365 344118547 /nfs/dbraw/zinc/11/85/47/344118547.db2.gz QYADDBDQFJMUHF-ZJUUUORDSA-N 2 1 186.274 1.220 10 0 ADAEMP F[C@@]1([C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 158101223 344118616 /nfs/dbraw/zinc/11/86/16/344118616.db2.gz QYADDBDQFJMUHF-UWVGGRQHSA-N 2 1 186.274 1.220 10 0 ADAEMP F[C@]1([C@H]2CCCC[NH2+]2)CCC[NH2+]C1 158101645 344118694 /nfs/dbraw/zinc/11/86/94/344118694.db2.gz QYADDBDQFJMUHF-NXEZZACHSA-N 2 1 186.274 1.220 10 0 ADAEMP F[C@]1([C@@H]2CCCC[NH2+]2)CCC[NH2+]C1 158101510 344118712 /nfs/dbraw/zinc/11/87/12/344118712.db2.gz QYADDBDQFJMUHF-VHSXEESVSA-N 2 1 186.274 1.220 10 0 ADAEMP Cc1cc[nH+]c(N)c1C1(F)CC([NH3+])C1 158156590 344119798 /nfs/dbraw/zinc/11/97/98/344119798.db2.gz SKERLXBLYJQDJD-UHFFFAOYSA-N 2 1 195.241 1.258 10 0 ADAEMP Nc1cc(CC2(F)CC([NH3+])C2)cc[nH+]1 158156442 344119837 /nfs/dbraw/zinc/11/98/37/344119837.db2.gz RCJDATVSUYDTBE-UHFFFAOYSA-N 2 1 195.241 1.036 10 0 ADAEMP CCn1cc[nH+]c1CC1(F)CC([NH3+])C1 158165424 344120536 /nfs/dbraw/zinc/12/05/36/344120536.db2.gz TVSUREHRPIKUFP-UHFFFAOYSA-N 2 1 197.257 1.275 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]([C@]2(F)CC[NH2+]C2)C1 158189540 344121397 /nfs/dbraw/zinc/12/13/97/344121397.db2.gz VPDRJPDRCIFANB-BBBLOLIVSA-N 2 1 186.274 1.076 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H]([C@]2(F)CC[NH2+]C2)C1 158189248 344121521 /nfs/dbraw/zinc/12/15/21/344121521.db2.gz VPDRJPDRCIFANB-UTLUCORTSA-N 2 1 186.274 1.076 10 0 ADAEMP CC[C@@H]1CC[NH2+][C@@H]([C@](C)(F)C[NH3+])C1 158256859 344122684 /nfs/dbraw/zinc/12/26/84/344122684.db2.gz OCGRDNIZYQVELG-OPRDCNLKSA-N 2 1 188.290 1.452 10 0 ADAEMP CC[C@@H]1CC[NH2+][C@H]([C@](C)(F)C[NH3+])C1 158256589 344122709 /nfs/dbraw/zinc/12/27/09/344122709.db2.gz OCGRDNIZYQVELG-KXUCPTDWSA-N 2 1 188.290 1.452 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 158276772 344123228 /nfs/dbraw/zinc/12/32/28/344123228.db2.gz TWDOYXDZYQLFBC-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@](F)(C[NH3+])[C@@H]1C[C@H](C)CC[NH2+]1 158348531 344124758 /nfs/dbraw/zinc/12/47/58/344124758.db2.gz MZYJYIZURQTPRL-UTLUCORTSA-N 2 1 188.290 1.452 10 0 ADAEMP CC[C@](F)(C[NH3+])[C@H]1CCCCC[NH2+]1 158343706 344124802 /nfs/dbraw/zinc/12/48/02/344124802.db2.gz KVMRKWYEQQTVEN-ZJUUUORDSA-N 2 1 188.290 1.596 10 0 ADAEMP CC[C@@](F)(C[NH3+])[C@H]1CCCCC[NH2+]1 158343567 344124854 /nfs/dbraw/zinc/12/48/54/344124854.db2.gz KVMRKWYEQQTVEN-NXEZZACHSA-N 2 1 188.290 1.596 10 0 ADAEMP C[C@H]1C[C@H](N2CCCC2=[NH2+])CC[N@H+]1C 158347076 344124874 /nfs/dbraw/zinc/12/48/74/344124874.db2.gz VBLYBKSEZWRCSG-VHSXEESVSA-N 2 1 195.310 1.542 10 0 ADAEMP CC[C@](F)(C[NH3+])[C@@H]1CCCCC[NH2+]1 158343426 344124909 /nfs/dbraw/zinc/12/49/09/344124909.db2.gz KVMRKWYEQQTVEN-UWVGGRQHSA-N 2 1 188.290 1.596 10 0 ADAEMP CC[C@@](F)(C[NH3+])[C@@H]1CCCCC[NH2+]1 158343289 344125047 /nfs/dbraw/zinc/12/50/47/344125047.db2.gz KVMRKWYEQQTVEN-VHSXEESVSA-N 2 1 188.290 1.596 10 0 ADAEMP CC[C@](F)(C[NH3+])[C@H]1C[C@H](C)CC[NH2+]1 158348819 344125063 /nfs/dbraw/zinc/12/50/63/344125063.db2.gz MZYJYIZURQTPRL-BBBLOLIVSA-N 2 1 188.290 1.452 10 0 ADAEMP C[C@@H]1C[C@H](N2CCCC2=[NH2+])CC[N@H+]1C 158346939 344125074 /nfs/dbraw/zinc/12/50/74/344125074.db2.gz VBLYBKSEZWRCSG-NXEZZACHSA-N 2 1 195.310 1.542 10 0 ADAEMP C[C@H]1C[C@H](C)[N@H+](C2CC([NH3+])C2)C1 158397789 344125520 /nfs/dbraw/zinc/12/55/20/344125520.db2.gz XGMFMZDVXGKFDN-DKEVHCRPSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@H+](C2CC([NH3+])C2)C1 158397921 344125561 /nfs/dbraw/zinc/12/55/61/344125561.db2.gz XGMFMZDVXGKFDN-LGUIWLBCSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@H+](C2CC([NH3+])C2)C1 158398062 344125672 /nfs/dbraw/zinc/12/56/72/344125672.db2.gz XGMFMZDVXGKFDN-AFWXGSBKSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1C1CC([NH3+])C1 158397642 344126040 /nfs/dbraw/zinc/12/60/40/344126040.db2.gz XGMFMZDVXGKFDN-XHHQTKHESA-N 2 1 168.284 1.206 10 0 ADAEMP [NH3+]C[C@](F)(C1CC1)[C@@H]1CCCC[NH2+]1 158420814 344126678 /nfs/dbraw/zinc/12/66/78/344126678.db2.gz IXZGSTVLILVHEX-UWVGGRQHSA-N 2 1 186.274 1.206 10 0 ADAEMP [NH3+]C[C@](F)(C1CC1)[C@H]1CCCC[NH2+]1 158420965 344126710 /nfs/dbraw/zinc/12/67/10/344126710.db2.gz IXZGSTVLILVHEX-ZJUUUORDSA-N 2 1 186.274 1.206 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 158485735 344127647 /nfs/dbraw/zinc/12/76/47/344127647.db2.gz INFOFSRVSWOXFA-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@@H]21 158485735 344127651 /nfs/dbraw/zinc/12/76/51/344127651.db2.gz INFOFSRVSWOXFA-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP CCSCC[N@@H+]1CCC[C@H]1C[NH3+] 158581602 344128818 /nfs/dbraw/zinc/12/88/18/344128818.db2.gz VVKKQNLRVQBWIE-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP CCSCC[N@H+]1CCC[C@H]1C[NH3+] 158581602 344128820 /nfs/dbraw/zinc/12/88/20/344128820.db2.gz VVKKQNLRVQBWIE-VIFPVBQESA-N 2 1 188.340 1.163 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 158596356 344129707 /nfs/dbraw/zinc/12/97/07/344129707.db2.gz IZWLNEDAGGRRRB-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 158596053 344129788 /nfs/dbraw/zinc/12/97/88/344129788.db2.gz IZWLNEDAGGRRRB-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccoc1 158902339 344134716 /nfs/dbraw/zinc/13/47/16/344134716.db2.gz CZDAIUFQSXYYCC-ONGXEEELSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccoc1 158902339 344134720 /nfs/dbraw/zinc/13/47/20/344134720.db2.gz CZDAIUFQSXYYCC-ONGXEEELSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccoc1 158901940 344134843 /nfs/dbraw/zinc/13/48/43/344134843.db2.gz CZDAIUFQSXYYCC-MWLCHTKSSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccoc1 158901940 344134846 /nfs/dbraw/zinc/13/48/46/344134846.db2.gz CZDAIUFQSXYYCC-MWLCHTKSSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccoc1 158902205 344134880 /nfs/dbraw/zinc/13/48/80/344134880.db2.gz CZDAIUFQSXYYCC-KOLCDFICSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccoc1 158902205 344134881 /nfs/dbraw/zinc/13/48/81/344134881.db2.gz CZDAIUFQSXYYCC-KOLCDFICSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccoc1 158902079 344135051 /nfs/dbraw/zinc/13/50/51/344135051.db2.gz CZDAIUFQSXYYCC-GXSJLCMTSA-N 2 1 194.278 1.591 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccoc1 158902079 344135053 /nfs/dbraw/zinc/13/50/53/344135053.db2.gz CZDAIUFQSXYYCC-GXSJLCMTSA-N 2 1 194.278 1.591 10 0 ADAEMP CC(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 159099515 344138705 /nfs/dbraw/zinc/13/87/05/344138705.db2.gz PPYYVMIOJJJMBQ-VHSXEESVSA-N 2 1 181.283 1.200 10 0 ADAEMP C[C@H]1C[C@H](NC(=[NH2+])C2CC2)CC[N@H+]1C 159105368 344138710 /nfs/dbraw/zinc/13/87/10/344138710.db2.gz MVICTIITDXSZFL-WCBMZHEXSA-N 2 1 195.310 1.446 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](C)[C@H](C)C1 159104310 344138762 /nfs/dbraw/zinc/13/87/62/344138762.db2.gz VHKRRQXOHFEQOL-VXNVDRBHSA-N 2 1 169.272 1.056 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@@H+](C)[C@H](C)C1 159102634 344138801 /nfs/dbraw/zinc/13/88/01/344138801.db2.gz JEIWRMZNKJURAM-RKDXNWHRSA-N 2 1 183.299 1.446 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@@H+](C)[C@H](C)C1 159102777 344138892 /nfs/dbraw/zinc/13/88/92/344138892.db2.gz JEIWRMZNKJURAM-BDAKNGLRSA-N 2 1 183.299 1.446 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 159099399 344138930 /nfs/dbraw/zinc/13/89/30/344138930.db2.gz PPYYVMIOJJJMBQ-NXEZZACHSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 159104521 344139019 /nfs/dbraw/zinc/13/90/19/344139019.db2.gz VHKRRQXOHFEQOL-IONNQARKSA-N 2 1 169.272 1.056 10 0 ADAEMP C[C@@H]1C[C@H](NC(=[NH2+])C2CC2)CC[N@H+]1C 159105215 344139093 /nfs/dbraw/zinc/13/90/93/344139093.db2.gz MVICTIITDXSZFL-PSASIEDQSA-N 2 1 195.310 1.446 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 160020668 344156459 /nfs/dbraw/zinc/15/64/59/344156459.db2.gz WYSXFGRYNRNGQQ-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@]1(C)CCC[NH2+]C1 160020556 344156637 /nfs/dbraw/zinc/15/66/37/344156637.db2.gz WYSXFGRYNRNGQQ-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@]1(C[NH+]2CC3(CC3)C2)CCC[NH2+]C1 160022501 344156996 /nfs/dbraw/zinc/15/69/96/344156996.db2.gz SXAIFRKYTVFXMF-LLVKDONJSA-N 2 1 194.322 1.472 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1(C)CC[NH2+]CC1 160027605 344157047 /nfs/dbraw/zinc/15/70/47/344157047.db2.gz IPCQXFYBQCVINX-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@]1(C[NH+]2CC3(CC3)C2)CCC[NH2+]C1 160022380 344157064 /nfs/dbraw/zinc/15/70/64/344157064.db2.gz SXAIFRKYTVFXMF-NSHDSACASA-N 2 1 194.322 1.472 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1(C)CC[NH2+]CC1 160027472 344157339 /nfs/dbraw/zinc/15/73/39/344157339.db2.gz IPCQXFYBQCVINX-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP FCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 160364086 344163309 /nfs/dbraw/zinc/16/33/09/344163309.db2.gz JFDLBXBXUBVTBD-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP FCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 160364086 344163310 /nfs/dbraw/zinc/16/33/10/344163310.db2.gz JFDLBXBXUBVTBD-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 160351003 344163396 /nfs/dbraw/zinc/16/33/96/344163396.db2.gz LCIWFSLSZPCLEY-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP FCC[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 160363952 344163479 /nfs/dbraw/zinc/16/34/79/344163479.db2.gz JFDLBXBXUBVTBD-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP FCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 160363952 344163481 /nfs/dbraw/zinc/16/34/81/344163481.db2.gz JFDLBXBXUBVTBD-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP CC(C)[C@@H]([NH3+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160424824 344165960 /nfs/dbraw/zinc/16/59/60/344165960.db2.gz YYSDEFHFFXCKEU-FGNRJIRKSA-N 2 1 196.338 1.843 10 0 ADAEMP CC(C)[C@H]([NH3+])C1C[C@@H]2CC[C@H](C1)[N@H+]2C 160424700 344165971 /nfs/dbraw/zinc/16/59/71/344165971.db2.gz YYSDEFHFFXCKEU-YATPEIPISA-N 2 1 196.338 1.843 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1=CC[NH2+]CC1 160527545 344168532 /nfs/dbraw/zinc/16/85/32/344168532.db2.gz YMWYDJPKOAZYOW-VIFPVBQESA-N 2 1 166.268 1.000 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1=CC[NH2+]CC1 160527412 344168544 /nfs/dbraw/zinc/16/85/44/344168544.db2.gz YMWYDJPKOAZYOW-SECBINFHSA-N 2 1 166.268 1.000 10 0 ADAEMP CC(C)[NH2+][C@H]1CCC[NH2+][C@H]1C 160560371 344169873 /nfs/dbraw/zinc/16/98/73/344169873.db2.gz MCWXTHTUONWWHL-IUCAKERBSA-N 2 1 156.273 1.125 10 0 ADAEMP CC(C)[NH2+][C@H]1CCC[NH2+][C@@H]1C 160560248 344169880 /nfs/dbraw/zinc/16/98/80/344169880.db2.gz MCWXTHTUONWWHL-BDAKNGLRSA-N 2 1 156.273 1.125 10 0 ADAEMP CC(C)[NH2+][C@@H]1CCC[NH2+][C@H]1C 160560129 344169897 /nfs/dbraw/zinc/16/98/97/344169897.db2.gz MCWXTHTUONWWHL-DTWKUNHWSA-N 2 1 156.273 1.125 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@H+](C2CCCC2)C1 160580655 344170732 /nfs/dbraw/zinc/17/07/32/344170732.db2.gz PBTZMAUKBOQAFY-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccco2)C1 160583192 344170755 /nfs/dbraw/zinc/17/07/55/344170755.db2.gz HSJQQDNYZBZRGN-VHSXEESVSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+](C2CCCC2)C1 160580526 344170805 /nfs/dbraw/zinc/17/08/05/344170805.db2.gz PBTZMAUKBOQAFY-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccco2)C1 160583326 344170819 /nfs/dbraw/zinc/17/08/19/344170819.db2.gz HSJQQDNYZBZRGN-NXEZZACHSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@@H]1CC[N@H+]1C1(C)CC[NH2+]CC1 160587974 344170860 /nfs/dbraw/zinc/17/08/60/344170860.db2.gz LHXPTKQWLCTCGT-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccco2)C1 160583432 344170898 /nfs/dbraw/zinc/17/08/98/344170898.db2.gz HSJQQDNYZBZRGN-UWVGGRQHSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1CC[N@H+]1C1(C)CC[NH2+]CC1 160588097 344171004 /nfs/dbraw/zinc/17/10/04/344171004.db2.gz LHXPTKQWLCTCGT-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP c1coc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 160654328 344173170 /nfs/dbraw/zinc/17/31/70/344173170.db2.gz DBLORVKUZOLYMI-SNVBAGLBSA-N 2 1 194.278 1.511 10 0 ADAEMP C[NH+](C)[C@H]1CC[NH2+]Cc2ccccc21 160714475 344175583 /nfs/dbraw/zinc/17/55/83/344175583.db2.gz GUISKPCEVQYDJD-LBPRGKRZSA-N 2 1 190.290 1.783 10 0 ADAEMP 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/nfs/dbraw/zinc/23/96/90/344239690.db2.gz WLVGITCMONATTM-YFKTTZPYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CCCC[N@H+]1CC1C[NH2+]C1 164940146 344255053 /nfs/dbraw/zinc/25/50/53/344255053.db2.gz DLJLLEXOOXDXKG-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC1C[NH2+]C1 164940053 344255144 /nfs/dbraw/zinc/25/51/44/344255144.db2.gz DLJLLEXOOXDXKG-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CC2C[NH2+]C2)C1 164966673 344255851 /nfs/dbraw/zinc/25/58/51/344255851.db2.gz XJRBJQMSQVZYQZ-AOOOYVTPSA-N 2 1 182.311 1.184 10 0 ADAEMP C[N@@H+](CC1C[NH2+]C1)C1CCCC1 164981400 344256265 /nfs/dbraw/zinc/25/62/65/344256265.db2.gz IFRKJYMVPRLBSZ-UHFFFAOYSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1CC1C[NH2+]C1 164980896 344256299 /nfs/dbraw/zinc/25/62/99/344256299.db2.gz IEAWUPKCTMGGOO-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1CC1C[NH2+]C1 164981013 344256326 /nfs/dbraw/zinc/25/63/26/344256326.db2.gz IEAWUPKCTMGGOO-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CC1C[NH2+]C1 165034871 344256970 /nfs/dbraw/zinc/25/69/70/344256970.db2.gz JQLIDRUKAVCWBE-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1CC1C[NH2+]C1 165034739 344257104 /nfs/dbraw/zinc/25/71/04/344257104.db2.gz JQLIDRUKAVCWBE-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1CCC[N@@H+](CC2C[NH2+]C2)C1 165017408 344257193 /nfs/dbraw/zinc/25/71/93/344257193.db2.gz FYMZDPSDHVTPLJ-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[C@H]1CCC[N@@H+](CC2C[NH2+]C2)C1 165017519 344257222 /nfs/dbraw/zinc/25/72/22/344257222.db2.gz FYMZDPSDHVTPLJ-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC1C[NH2+]C1 165141698 344258913 /nfs/dbraw/zinc/25/89/13/344258913.db2.gz OPXGEOSWBLSDOX-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC1C[NH2+]C1 165141588 344259134 /nfs/dbraw/zinc/25/91/34/344259134.db2.gz OPXGEOSWBLSDOX-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP 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/nfs/dbraw/zinc/26/84/12/344268412.db2.gz NEQFUFYMIWWSGQ-ZJUUUORDSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1ccc[nH+]c1N[C@H](C)C[C@@H](C)[NH3+] 165746339 344268954 /nfs/dbraw/zinc/26/89/54/344268954.db2.gz BRXUAAKOSWPSNI-NXEZZACHSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1ccc[nH+]c1N[C@@H](C)C[C@H](C)[NH3+] 165746446 344268975 /nfs/dbraw/zinc/26/89/75/344268975.db2.gz BRXUAAKOSWPSNI-UWVGGRQHSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1ccc[nH+]c1N[C@@H](C)C[C@@H](C)[NH3+] 165746207 344268989 /nfs/dbraw/zinc/26/89/89/344268989.db2.gz BRXUAAKOSWPSNI-ZJUUUORDSA-N 2 1 193.294 1.928 10 0 ADAEMP Cc1ccc[nH+]c1N[C@H](C)C[C@H](C)[NH3+] 165746570 344268993 /nfs/dbraw/zinc/26/89/93/344268993.db2.gz BRXUAAKOSWPSNI-VHSXEESVSA-N 2 1 193.294 1.928 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)C1 166042522 344273627 /nfs/dbraw/zinc/27/36/27/344273627.db2.gz XMBXZQMMQULFOO-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1C[N@@H+]1CC=CCC1 166086599 344274181 /nfs/dbraw/zinc/27/41/81/344274181.db2.gz 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ADAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@@H+]1CC=CCC1 166086482 344274374 /nfs/dbraw/zinc/27/43/74/344274374.db2.gz OMQMQASFSNTPIJ-GHMZBOCLSA-N 2 1 180.295 1.376 10 0 ADAEMP [NH3+]C1(C[N@H+]2CC=CCC2)CCCC1 166107695 344274641 /nfs/dbraw/zinc/27/46/41/344274641.db2.gz DSZPUKFXIJYHEY-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP [NH3+]C1(C[N@@H+]2CC=CCC2)CCCC1 166107695 344274644 /nfs/dbraw/zinc/27/46/44/344274644.db2.gz DSZPUKFXIJYHEY-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CC=CCC1 166098852 344274716 /nfs/dbraw/zinc/27/47/16/344274716.db2.gz KUAPZJMAXANZFJ-QWRGUYRKSA-N 2 1 180.295 1.246 10 0 ADAEMP [NH3+][C@H]1CC[C@@H](C[N@@H+]2CC=CCC2)C1 166107442 344274736 /nfs/dbraw/zinc/27/47/36/344274736.db2.gz KXALOOWXOIDYEB-MNOVXSKESA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC=CCC1 166108988 344274791 /nfs/dbraw/zinc/27/47/91/344274791.db2.gz DKUIIHJYUQKABD-WDEREUQCSA-N 2 1 180.295 1.104 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1CC=CCC1 166108875 344274848 /nfs/dbraw/zinc/27/48/48/344274848.db2.gz DKUIIHJYUQKABD-GHMZBOCLSA-N 2 1 180.295 1.104 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@@H+]1CC=CCC1 166109223 344274864 /nfs/dbraw/zinc/27/48/64/344274864.db2.gz DKUIIHJYUQKABD-QWRGUYRKSA-N 2 1 180.295 1.104 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC=CCC1 166109100 344274903 /nfs/dbraw/zinc/27/49/03/344274903.db2.gz DKUIIHJYUQKABD-MNOVXSKESA-N 2 1 180.295 1.104 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+]1CC=CCC1 166098742 344274910 /nfs/dbraw/zinc/27/49/10/344274910.db2.gz KUAPZJMAXANZFJ-MNOVXSKESA-N 2 1 180.295 1.246 10 0 ADAEMP [NH3+][C@@H]1C=C[C@@H](C[N@@H+]2CC=CCC2)C1 166118506 344274971 /nfs/dbraw/zinc/27/49/71/344274971.db2.gz NUBHIILMCWNYRU-GHMZBOCLSA-N 2 1 178.279 1.152 10 0 ADAEMP [NH3+][C@H]1CC[C@H](C[N@@H+]2CC=CCC2)C1 166107573 344274989 /nfs/dbraw/zinc/27/49/89/344274989.db2.gz KXALOOWXOIDYEB-QWRGUYRKSA-N 2 1 180.295 1.376 10 0 ADAEMP [NH3+][C@@H]1C=C[C@H](C[N@@H+]2CC=CCC2)C1 166118374 344275011 /nfs/dbraw/zinc/27/50/11/344275011.db2.gz NUBHIILMCWNYRU-WDEREUQCSA-N 2 1 178.279 1.152 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC=CCC1 166099089 344275014 /nfs/dbraw/zinc/27/50/14/344275014.db2.gz KUAPZJMAXANZFJ-WDEREUQCSA-N 2 1 180.295 1.246 10 0 ADAEMP C[C@@]1(C[N@@H+]2CC=CCC2)CCC[NH2+]C1 166105759 344275062 /nfs/dbraw/zinc/27/50/62/344275062.db2.gz CUAOXABRLKDMKT-GFCCVEGCSA-N 2 1 194.322 1.638 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC=CCC1 166098977 344275075 /nfs/dbraw/zinc/27/50/75/344275075.db2.gz KUAPZJMAXANZFJ-GHMZBOCLSA-N 2 1 180.295 1.246 10 0 ADAEMP C[C@H](C[N@@H+]1CC=CCC1)C1C[NH2+]C1 166126596 344275333 /nfs/dbraw/zinc/27/53/33/344275333.db2.gz RRNNSVYTUFWPQB-SNVBAGLBSA-N 2 1 180.295 1.104 10 0 ADAEMP CC1=CC[N@H+](CC2([NH3+])CCC2)CC1 166148626 344275398 /nfs/dbraw/zinc/27/53/98/344275398.db2.gz JSQJYFKABKALTB-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP CC1=CC[N@@H+](CC2([NH3+])CCC2)CC1 166148626 344275399 /nfs/dbraw/zinc/27/53/99/344275399.db2.gz JSQJYFKABKALTB-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP CC1=CC[N@H+](CC2([NH3+])CC2)CC1 166156740 344275435 /nfs/dbraw/zinc/27/54/35/344275435.db2.gz SHOBCYRACWNFOX-UHFFFAOYSA-N 2 1 166.268 1.130 10 0 ADAEMP C[C@@H](C[N@@H+]1CC=CCC1)C1C[NH2+]C1 166126478 344275448 /nfs/dbraw/zinc/27/54/48/344275448.db2.gz RRNNSVYTUFWPQB-JTQLQIEISA-N 2 1 180.295 1.104 10 0 ADAEMP CC1=CC[N@@H+](C[C@@H](C)C[NH3+])CC1 166141767 344275468 /nfs/dbraw/zinc/27/54/68/344275468.db2.gz OYUZIBYKPJPZGB-JTQLQIEISA-N 2 1 168.284 1.233 10 0 ADAEMP CCC[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 166235905 344276981 /nfs/dbraw/zinc/27/69/81/344276981.db2.gz LUTIISNPXMYLRJ-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 166235791 344276989 /nfs/dbraw/zinc/27/69/89/344276989.db2.gz LUTIISNPXMYLRJ-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 166260272 344277293 /nfs/dbraw/zinc/27/72/93/344277293.db2.gz NGLCRWVKFZJSNV-DTWKUNHWSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 166260272 344277295 /nfs/dbraw/zinc/27/72/95/344277295.db2.gz NGLCRWVKFZJSNV-DTWKUNHWSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 166260396 344277332 /nfs/dbraw/zinc/27/73/32/344277332.db2.gz NGLCRWVKFZJSNV-IUCAKERBSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)[C@H]1CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 166260396 344277334 /nfs/dbraw/zinc/27/73/34/344277334.db2.gz NGLCRWVKFZJSNV-IUCAKERBSA-N 2 1 183.299 1.289 10 0 ADAEMP CC[C@H]1CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 166263279 344277389 /nfs/dbraw/zinc/27/73/89/344277389.db2.gz ISXFBLPIHJRSJS-YUMQZZPRSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 166263279 344277392 /nfs/dbraw/zinc/27/73/92/344277392.db2.gz ISXFBLPIHJRSJS-YUMQZZPRSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@@H](C)C(N)=[NH2+])C1 166263166 344277586 /nfs/dbraw/zinc/27/75/86/344277586.db2.gz ISXFBLPIHJRSJS-JGVFFNPUSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H](C)C(N)=[NH2+])C1 166263166 344277587 /nfs/dbraw/zinc/27/75/87/344277587.db2.gz ISXFBLPIHJRSJS-JGVFFNPUSA-N 2 1 169.272 1.043 10 0 ADAEMP CC1=CC[N@H+]([C@H]2CC[C@@H]2C[NH3+])CC1 166275568 344277921 /nfs/dbraw/zinc/27/79/21/344277921.db2.gz JJJTZOXFLFNLAE-MNOVXSKESA-N 2 1 180.295 1.376 10 0 ADAEMP CC1=CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])CC1 166275444 344277974 /nfs/dbraw/zinc/27/79/74/344277974.db2.gz JJJTZOXFLFNLAE-GHMZBOCLSA-N 2 1 180.295 1.376 10 0 ADAEMP CNc1cc[nH+]cc1C[NH2+]C(C)C 166293468 344278199 /nfs/dbraw/zinc/27/81/99/344278199.db2.gz HJRNLNBSUQAUPR-UHFFFAOYSA-N 2 1 179.267 1.621 10 0 ADAEMP CC(C)(C)[C@H]1CC[N@@H+](CC2(N)CC2)C1 166300448 344278216 /nfs/dbraw/zinc/27/82/16/344278216.db2.gz VEKIDIUJZYUJMF-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP CNc1cc[nH+]cc1C[NH2+]C1CC1 166292266 344278251 /nfs/dbraw/zinc/27/82/51/344278251.db2.gz GQKRMLCGDPGTRC-UHFFFAOYSA-N 2 1 177.251 1.375 10 0 ADAEMP CCNc1cc[nH+]cc1C[NH2+]C 166312914 344278736 /nfs/dbraw/zinc/27/87/36/344278736.db2.gz SUKFTAUROXMVDE-UHFFFAOYSA-N 2 1 165.240 1.233 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CCC[NH3+] 166325697 344279381 /nfs/dbraw/zinc/27/93/81/344279381.db2.gz BNRKBFSREWYTJW-MXWKQRLJSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](CCC[NH3+])[C@H]1C 166325459 344279644 /nfs/dbraw/zinc/27/96/44/344279644.db2.gz BNRKBFSREWYTJW-VWYCJHECSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 166348256 344279843 /nfs/dbraw/zinc/27/98/43/344279843.db2.gz ATBMQOGADJQSJK-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC2([NH3+])CCCC2)C1 166356391 344279901 /nfs/dbraw/zinc/27/99/01/344279901.db2.gz XMKQFTIPQRZCMF-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]2C=C[C@@H]([NH3+])C2)C1 166358181 344279927 /nfs/dbraw/zinc/27/99/27/344279927.db2.gz PWMPFZIJXXSJBT-GRYCIOLGSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 166351053 344280116 /nfs/dbraw/zinc/28/01/16/344280116.db2.gz CESCDLUBAAMCIR-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 166351161 344280201 /nfs/dbraw/zinc/28/02/01/344280201.db2.gz CESCDLUBAAMCIR-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)(C)Nc1cc[nH+]cc1C[NH3+] 166366918 344280422 /nfs/dbraw/zinc/28/04/22/344280422.db2.gz NEYRMRIODCLLER-UHFFFAOYSA-N 2 1 179.267 1.751 10 0 ADAEMP CC(C)CNc1cc[nH+]cc1C[NH3+] 166376103 344280435 /nfs/dbraw/zinc/28/04/35/344280435.db2.gz LQMFXULFPKMOLH-UHFFFAOYSA-N 2 1 179.267 1.608 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1C[C@@H](C)N 166527487 344283878 /nfs/dbraw/zinc/28/38/78/344283878.db2.gz KGBVGSRWKSKZRC-DBIOUOCHSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)N)[C@H]1C 166527249 344284146 /nfs/dbraw/zinc/28/41/46/344284146.db2.gz KGBVGSRWKSKZRC-YTWAJWBKSA-N 2 1 184.327 1.700 10 0 ADAEMP NC[C@@H]1CCC[N@H+]1[C@H]1C=CCCC1 166640440 344286009 /nfs/dbraw/zinc/28/60/09/344286009.db2.gz RZTRIEDLVFQBAA-QWRGUYRKSA-N 2 1 180.295 1.518 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1[C@H]1C=CCCC1 166640440 344286015 /nfs/dbraw/zinc/28/60/15/344286015.db2.gz RZTRIEDLVFQBAA-QWRGUYRKSA-N 2 1 180.295 1.518 10 0 ADAEMP NC[C@H]1CCC[N@H+]1[C@H]1C=CCCC1 166640548 344286164 /nfs/dbraw/zinc/28/61/64/344286164.db2.gz RZTRIEDLVFQBAA-WDEREUQCSA-N 2 1 180.295 1.518 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@H+]1[C@H]1C=CCCC1 166640548 344286172 /nfs/dbraw/zinc/28/61/72/344286172.db2.gz RZTRIEDLVFQBAA-WDEREUQCSA-N 2 1 180.295 1.518 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 166690056 344287019 /nfs/dbraw/zinc/28/70/19/344287019.db2.gz LKXWTQMCXQPTNO-IJLUTSLNSA-N 2 1 196.338 1.702 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C[NH3+])C1 166700026 344287215 /nfs/dbraw/zinc/28/72/15/344287215.db2.gz RKDMIRONVBXHME-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](CCC(N)=[NH2+])[C@H]1C 166726328 344287728 /nfs/dbraw/zinc/28/77/28/344287728.db2.gz NQZAGTGYQIWLFM-UTLUCORTSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CC(N)=[NH2+])[C@H]1C 166725622 344287809 /nfs/dbraw/zinc/28/78/09/344287809.db2.gz NFEZOJRFUGOGPM-VGMNWLOBSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](CC(N)=[NH2+])[C@H]1C 166725622 344287811 /nfs/dbraw/zinc/28/78/11/344287811.db2.gz NFEZOJRFUGOGPM-VGMNWLOBSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)(C)[C@@H]1CC[N@H+](C2CC([NH3+])C2)C1 166824265 344290051 /nfs/dbraw/zinc/29/00/51/344290051.db2.gz QPHPLOLMEVOLRY-KPPDAEKUSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[C@H]1CC[N@H+](C2CC([NH3+])C2)C1 166826051 344290076 /nfs/dbraw/zinc/29/00/76/344290076.db2.gz MCEKQBPXAFPJEQ-WHXUTIOJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC([NH3+])C2)C1 166825434 344290092 /nfs/dbraw/zinc/29/00/92/344290092.db2.gz FLKQBMUKWMRYCO-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[C@H]1CC[N@H+](C2CC([NH3+])C2)C1 166825065 344290133 /nfs/dbraw/zinc/29/01/33/344290133.db2.gz PSSODNYYERAJNZ-WHXUTIOJSA-N 2 1 182.311 1.454 10 0 ADAEMP CCC[C@@H]1CC[N@H+](C2CC([NH3+])C2)C1 166825938 344290176 /nfs/dbraw/zinc/29/01/76/344290176.db2.gz MCEKQBPXAFPJEQ-KPPDAEKUSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+](C2CC([NH3+])C2)C1 166824947 344290363 /nfs/dbraw/zinc/29/03/63/344290363.db2.gz PSSODNYYERAJNZ-KPPDAEKUSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC([NH3+])C2)C1 166825550 344290409 /nfs/dbraw/zinc/29/04/09/344290409.db2.gz FLKQBMUKWMRYCO-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP Cn1cc[nH+]c1[C@@]1(C)CC[C@@H]([NH3+])C1 166973605 344293898 /nfs/dbraw/zinc/29/38/98/344293898.db2.gz AFWDVANZTDQLLI-SCZZXKLOSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1cc[nH+]c1[C@]1(C)CC[C@H]([NH3+])C1 166973498 344293933 /nfs/dbraw/zinc/29/39/33/344293933.db2.gz AFWDVANZTDQLLI-WCBMZHEXSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1cc[nH+]c1[C@@]1(C)CC[C@H]([NH3+])C1 166973402 344293981 /nfs/dbraw/zinc/29/39/81/344293981.db2.gz AFWDVANZTDQLLI-WPRPVWTQSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1cc[nH+]c1[C@]1(C)CC[C@@H]([NH3+])C1 166973715 344293994 /nfs/dbraw/zinc/29/39/94/344293994.db2.gz AFWDVANZTDQLLI-PSASIEDQSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1cc[nH+]c1C[C@]1(C)CC[C@@H]([NH3+])C1 166977577 344294095 /nfs/dbraw/zinc/29/40/95/344294095.db2.gz NPGDGQVNAGVCLI-MWLCHTKSSA-N 2 1 193.294 1.480 10 0 ADAEMP Cn1cc[nH+]c1C[C@]1(C)CC[C@H]([NH3+])C1 166977366 344294126 /nfs/dbraw/zinc/29/41/26/344294126.db2.gz NPGDGQVNAGVCLI-GXSJLCMTSA-N 2 1 193.294 1.480 10 0 ADAEMP Cn1cc[nH+]c1C[C@@]1(C)CC[C@H]([NH3+])C1 166977250 344294131 /nfs/dbraw/zinc/29/41/31/344294131.db2.gz NPGDGQVNAGVCLI-ONGXEEELSA-N 2 1 193.294 1.480 10 0 ADAEMP Cn1cc[nH+]c1C[C@@]1(C)CC[C@@H]([NH3+])C1 166977472 344294153 /nfs/dbraw/zinc/29/41/53/344294153.db2.gz NPGDGQVNAGVCLI-KOLCDFICSA-N 2 1 193.294 1.480 10 0 ADAEMP C[C@]1(c2ccc[nH+]c2N)CC[C@@H]([NH3+])C1 166987762 344294444 /nfs/dbraw/zinc/29/44/44/344294444.db2.gz HRONQNWHSLMXRO-KCJUWKMLSA-N 2 1 191.278 1.433 10 0 ADAEMP C[C@]1(c2ccc[nH+]c2N)CC[C@H]([NH3+])C1 166987543 344294588 /nfs/dbraw/zinc/29/45/88/344294588.db2.gz HRONQNWHSLMXRO-KWQFWETISA-N 2 1 191.278 1.433 10 0 ADAEMP C[C@@]1(c2ccc[nH+]c2N)CC[C@@H]([NH3+])C1 166987874 344294596 /nfs/dbraw/zinc/29/45/96/344294596.db2.gz HRONQNWHSLMXRO-LDYMZIIASA-N 2 1 191.278 1.433 10 0 ADAEMP C[C@@]1(c2ccc[nH+]c2N)CC[C@H]([NH3+])C1 166987648 344294625 /nfs/dbraw/zinc/29/46/25/344294625.db2.gz HRONQNWHSLMXRO-GZMMTYOYSA-N 2 1 191.278 1.433 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[NH2+][C@@H]2CC2(C)C)C1 167298804 344301770 /nfs/dbraw/zinc/30/17/70/344301770.db2.gz WGKCYVODTPZTAQ-OUAUKWLOSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H](C[NH2+][C@@H]2CC2(C)C)C1 167299023 344302021 /nfs/dbraw/zinc/30/20/21/344302021.db2.gz WGKCYVODTPZTAQ-GMTAPVOTSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C 167289592 344302040 /nfs/dbraw/zinc/30/20/40/344302040.db2.gz SFYGALGMGCWJHX-LMLFDSFASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C 167289592 344302043 /nfs/dbraw/zinc/30/20/43/344302043.db2.gz SFYGALGMGCWJHX-LMLFDSFASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CCCNC(C)(C)C1 167327325 344302213 /nfs/dbraw/zinc/30/22/13/344302213.db2.gz LIDCIHZZWWAGDN-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CCCNC(C)(C)C1 167327107 344302247 /nfs/dbraw/zinc/30/22/47/344302247.db2.gz LIDCIHZZWWAGDN-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[C@H]1C[N@H+]1CCCNC(C)(C)C1 167327455 344302277 /nfs/dbraw/zinc/30/22/77/344302277.db2.gz LIDCIHZZWWAGDN-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[C@@H]1CN1CCC[NH2+][C@H](C)C1 167326303 344302343 /nfs/dbraw/zinc/30/23/43/344302343.db2.gz XJZIUBVOXHRVLG-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CN(C[C@H]2C[C@H]2C)CCC[NH2+]1 167326203 344302366 /nfs/dbraw/zinc/30/23/66/344302366.db2.gz XJZIUBVOXHRVLG-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@H+]1CCCNC(C)(C)C1 167327212 344302409 /nfs/dbraw/zinc/30/24/09/344302409.db2.gz LIDCIHZZWWAGDN-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CN(C[C@@H]2C[C@H]2C)CCC[NH2+]1 167326426 344302468 /nfs/dbraw/zinc/30/24/68/344302468.db2.gz XJZIUBVOXHRVLG-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@H]1CN1CCC[NH2+][C@H](C)C1 167326543 344302580 /nfs/dbraw/zinc/30/25/80/344302580.db2.gz XJZIUBVOXHRVLG-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[N@H+](C)C2CCC2)C1 167341032 344302862 /nfs/dbraw/zinc/30/28/62/344302862.db2.gz WJPGDVYDEKUZOA-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[N@@H+](C)C2CCC2)C1 167341032 344302864 /nfs/dbraw/zinc/30/28/64/344302864.db2.gz WJPGDVYDEKUZOA-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[NH2+][C@H](C[N@H+](C)C2CCC2)C1 167341133 344303025 /nfs/dbraw/zinc/30/30/25/344303025.db2.gz WJPGDVYDEKUZOA-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[NH2+][C@H](C[N@@H+](C)C2CCC2)C1 167341133 344303027 /nfs/dbraw/zinc/30/30/27/344303027.db2.gz WJPGDVYDEKUZOA-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H](C[N@H+](C)C2CCC2)C1 167341237 344303089 /nfs/dbraw/zinc/30/30/89/344303089.db2.gz WJPGDVYDEKUZOA-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H](C[N@@H+](C)C2CCC2)C1 167341237 344303092 /nfs/dbraw/zinc/30/30/92/344303092.db2.gz WJPGDVYDEKUZOA-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H](C[N@H+](C)C2CCC2)C1 167341327 344303097 /nfs/dbraw/zinc/30/30/97/344303097.db2.gz WJPGDVYDEKUZOA-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H](C[N@@H+](C)C2CCC2)C1 167341327 344303098 /nfs/dbraw/zinc/30/30/98/344303098.db2.gz WJPGDVYDEKUZOA-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]([NH3+])CC1 167438176 344305314 /nfs/dbraw/zinc/30/53/14/344305314.db2.gz ASQMKKFSNZASBS-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]([NH3+])CC1 167438286 344305489 /nfs/dbraw/zinc/30/54/89/344305489.db2.gz ASQMKKFSNZASBS-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@H]1CC[N@H+](C2CCC2)C[C@@H]1C[NH3+] 167601837 344309109 /nfs/dbraw/zinc/30/91/09/344309109.db2.gz HYRJZLAPUVKMNH-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 167607747 344309201 /nfs/dbraw/zinc/30/92/01/344309201.db2.gz VTIKRCCCZDGNDC-SRVKXCTJSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CCC2)C[C@@H]1C[NH3+] 167601741 344309224 /nfs/dbraw/zinc/30/92/24/344309224.db2.gz HYRJZLAPUVKMNH-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP C1=C[C@@H]([N@@H+]2CCC[NH2+]CC2)CCC1 167725653 344312867 /nfs/dbraw/zinc/31/28/67/344312867.db2.gz YBGWBYYQWXYPET-LLVKDONJSA-N 2 1 180.295 1.390 10 0 ADAEMP C1=C[C@@H]([N@H+]2CCC[NH2+]CC2)CCC1 167725653 344312869 /nfs/dbraw/zinc/31/28/69/344312869.db2.gz YBGWBYYQWXYPET-LLVKDONJSA-N 2 1 180.295 1.390 10 0 ADAEMP C1=C[C@H]([N@@H+]2CCC[NH2+]CC2)CCC1 167725533 344312908 /nfs/dbraw/zinc/31/29/08/344312908.db2.gz YBGWBYYQWXYPET-NSHDSACASA-N 2 1 180.295 1.390 10 0 ADAEMP C1=C[C@H]([N@H+]2CCC[NH2+]CC2)CCC1 167725533 344312910 /nfs/dbraw/zinc/31/29/10/344312910.db2.gz YBGWBYYQWXYPET-NSHDSACASA-N 2 1 180.295 1.390 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]([C@H]2C=CCCC2)C1 167836757 344315268 /nfs/dbraw/zinc/31/52/68/344315268.db2.gz KALXITBGRMWESM-WOPDTQHZSA-N 2 1 194.322 1.764 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]([C@H]2C=CCCC2)C1 167836757 344315272 /nfs/dbraw/zinc/31/52/72/344315272.db2.gz KALXITBGRMWESM-WOPDTQHZSA-N 2 1 194.322 1.764 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]([C@H]2C=CCCC2)C1 167836980 344315313 /nfs/dbraw/zinc/31/53/13/344315313.db2.gz KALXITBGRMWESM-UTUOFQBUSA-N 2 1 194.322 1.764 10 0 ADAEMP Cc1[nH+]c[nH]c1C[C@H]([NH3+])C(C)C 167985007 344317942 /nfs/dbraw/zinc/31/79/42/344317942.db2.gz TXSDXTUDEAOFED-QMMMGPOBSA-N 2 1 167.256 1.244 10 0 ADAEMP Cc1[nH+]c[nH]c1C[C@@H]([NH3+])C(C)C 167985119 344318116 /nfs/dbraw/zinc/31/81/16/344318116.db2.gz TXSDXTUDEAOFED-MRVPVSSYSA-N 2 1 167.256 1.244 10 0 ADAEMP CC(C)(C[NH3+])n1c[nH+]c2c1CCCC2 168057470 344319864 /nfs/dbraw/zinc/31/98/64/344319864.db2.gz MORIOONMJIFTFM-UHFFFAOYSA-N 2 1 193.294 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+](C2(C)CC2)CCC[NH2+]1 168352778 344328956 /nfs/dbraw/zinc/32/89/56/344328956.db2.gz HBYKQYZLJJBPGW-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[N@H+](C(C)(C)C)CC[C@H]1[NH3+] 168341002 344329024 /nfs/dbraw/zinc/32/90/24/344329024.db2.gz IMKOHHJXKFYSBR-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CC[N@H+](C2(C)CC2)CCC[NH2+]1 168352878 344329107 /nfs/dbraw/zinc/32/91/07/344329107.db2.gz HBYKQYZLJJBPGW-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CCC1C[NH+](CC(C)(C)[NH3+])C1 168414244 344330245 /nfs/dbraw/zinc/33/02/45/344330245.db2.gz JDEPGPXJBWITKV-UHFFFAOYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)([NH3+])C[NH+]1CC(C(C)(C)C)C1 168413486 344330406 /nfs/dbraw/zinc/33/04/06/344330406.db2.gz DRFUSDVFNXICJR-UHFFFAOYSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH3+])CCC1 168526672 344332313 /nfs/dbraw/zinc/33/23/13/344332313.db2.gz ABDYSGCXXCLGFA-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(C[NH3+])CCC1 168526766 344332578 /nfs/dbraw/zinc/33/25/78/344332578.db2.gz ABDYSGCXXCLGFA-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC1(C)CC[N@@H+](CC2(C[NH3+])CCC2)C1 168556624 344333060 /nfs/dbraw/zinc/33/30/60/344333060.db2.gz MYZOHLCYQMLQQF-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@](C[NH3+])(C1CC1)[NH+]1CC2(CC2)C1 168601734 344333311 /nfs/dbraw/zinc/33/33/11/344333311.db2.gz BUUMUFKFXDTEQW-JTQLQIEISA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@](C)(C[NH3+])C1CC1 168597968 344333472 /nfs/dbraw/zinc/33/34/72/344333472.db2.gz XRHDRADADJRXCC-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[NH+]([C@](C)(C[NH3+])C2CC2)C1 168595310 344333486 /nfs/dbraw/zinc/33/34/86/344333486.db2.gz TZSSLDPHSPAPCN-LLVKDONJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@](C)(C[NH3+])C1CC1 168598062 344333568 /nfs/dbraw/zinc/33/35/68/344333568.db2.gz XRHDRADADJRXCC-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@](C[NH3+])(C1CC1)[NH+]1CC2(CCC2)C1 168599491 344333580 /nfs/dbraw/zinc/33/35/80/344333580.db2.gz GPFVOEDKHOCDIM-LLVKDONJSA-N 2 1 194.322 1.600 10 0 ADAEMP CC1(C)C[NH+]([C@@](C)(C[NH3+])C2CC2)C1 168595207 344333604 /nfs/dbraw/zinc/33/36/04/344333604.db2.gz TZSSLDPHSPAPCN-NSHDSACASA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@](C[NH3+])(C1CC1)[NH+]1CC2(CCC2)C1 168599589 344333615 /nfs/dbraw/zinc/33/36/15/344333615.db2.gz GPFVOEDKHOCDIM-NSHDSACASA-N 2 1 194.322 1.600 10 0 ADAEMP C[C@@](C[NH3+])(C1CC1)[NH+]1CC2(CC2)C1 168601655 344333648 /nfs/dbraw/zinc/33/36/48/344333648.db2.gz BUUMUFKFXDTEQW-SNVBAGLBSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH+]1CC=CC1 168661166 344334565 /nfs/dbraw/zinc/33/45/65/344334565.db2.gz JZVOZOSHZZRFSX-NEPJUHHUSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH+]1CC=CC1 168661248 344334626 /nfs/dbraw/zinc/33/46/26/344334626.db2.gz JZVOZOSHZZRFSX-RYUDHWBXSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH+]1CC=CC1 168661348 344334710 /nfs/dbraw/zinc/33/47/10/344334710.db2.gz JZVOZOSHZZRFSX-VXGBXAGGSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1CCCC[C@]1(C[NH3+])[NH+]1CC=CC1 168661439 344334741 /nfs/dbraw/zinc/33/47/41/344334741.db2.gz JZVOZOSHZZRFSX-NWDGAFQWSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@@H](C1CCCCC1)N1CC=CC1 168681315 344335047 /nfs/dbraw/zinc/33/50/47/344335047.db2.gz YLDZRTMBROCBPV-LBPRGKRZSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@@H](C1CCCCC1)[NH+]1CC=CC1 168681315 344335049 /nfs/dbraw/zinc/33/50/49/344335049.db2.gz YLDZRTMBROCBPV-LBPRGKRZSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@H](C1CCCCC1)N1CC=CC1 168681211 344335098 /nfs/dbraw/zinc/33/50/98/344335098.db2.gz YLDZRTMBROCBPV-GFCCVEGCSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C[C@H](C1CCCCC1)[NH+]1CC=CC1 168681211 344335099 /nfs/dbraw/zinc/33/50/99/344335099.db2.gz YLDZRTMBROCBPV-GFCCVEGCSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H](CN)C1CCCCC1 168680614 344335157 /nfs/dbraw/zinc/33/51/57/344335157.db2.gz SYMRHRGGPKQXQQ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@@H](C[NH3+])C1CCCCC1 168680614 344335160 /nfs/dbraw/zinc/33/51/60/344335160.db2.gz SYMRHRGGPKQXQQ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H](CN)C1CCCCC1 168680704 344335173 /nfs/dbraw/zinc/33/51/73/344335173.db2.gz SYMRHRGGPKQXQQ-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@H](C[NH3+])C1CCCCC1 168680704 344335176 /nfs/dbraw/zinc/33/51/76/344335176.db2.gz SYMRHRGGPKQXQQ-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH+]1CC(C)(C)C1 168766496 344336436 /nfs/dbraw/zinc/33/64/36/344336436.db2.gz VGASURXTOVGZQU-LLVKDONJSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(C[NH3+])CC1 168759245 344336470 /nfs/dbraw/zinc/33/64/70/344336470.db2.gz SPLJLSOQDSWHCT-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH+]1CC(C)(C)C1 168766589 344336485 /nfs/dbraw/zinc/33/64/85/344336485.db2.gz VGASURXTOVGZQU-NSHDSACASA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(C[NH3+])CC1 168759294 344336530 /nfs/dbraw/zinc/33/65/30/344336530.db2.gz SPLJLSOQDSWHCT-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH+]1CC2(CCC2)C1 168770942 344336600 /nfs/dbraw/zinc/33/66/00/344336600.db2.gz COMVYMZFVCUWMK-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH+]1CC2(CCC2)C1 168771033 344336757 /nfs/dbraw/zinc/33/67/57/344336757.db2.gz COMVYMZFVCUWMK-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@](C)(C[NH3+])[NH+]1CC2(CC2)C1 168773887 344337216 /nfs/dbraw/zinc/33/72/16/344337216.db2.gz VKNFNMUBCSZRBC-JTQLQIEISA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1CC1(C[NH3+])CC1 168792659 344337493 /nfs/dbraw/zinc/33/74/93/344337493.db2.gz AFLWCSZTYPMRKF-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CCC[N@@H+](CC2(C[NH3+])CC2)C1 168788410 344337544 /nfs/dbraw/zinc/33/75/44/344337544.db2.gz ZCMJSSHYHBANNB-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@@H+](CC2(C[NH3+])CC2)C1 168792863 344337744 /nfs/dbraw/zinc/33/77/44/344337744.db2.gz AFLWCSZTYPMRKF-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CC[C@H](C)[N@@H+](CC2(C[NH3+])CC2)C1 168792721 344337862 /nfs/dbraw/zinc/33/78/62/344337862.db2.gz AFLWCSZTYPMRKF-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CCn1cc[nH+]c1C1CCC([NH3+])CC1 168834803 344338025 /nfs/dbraw/zinc/33/80/25/344338025.db2.gz CSRGNXPHUKSKHK-UHFFFAOYSA-N 2 1 193.294 1.888 10 0 ADAEMP Cn1cc[nH+]c1CC1CCC([NH3+])CC1 168830474 344338038 /nfs/dbraw/zinc/33/80/38/344338038.db2.gz VOZWWMROSDQMBV-UHFFFAOYSA-N 2 1 193.294 1.480 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[NH2+]CC1 168875353 344339084 /nfs/dbraw/zinc/33/90/84/344339084.db2.gz YVJXGNCNXVBCFZ-SNVBAGLBSA-N 2 1 193.294 1.352 10 0 ADAEMP Cn1cc[nH+]c1C[C@H]1CCC[NH2+]CC1 168875446 344339171 /nfs/dbraw/zinc/33/91/71/344339171.db2.gz YVJXGNCNXVBCFZ-JTQLQIEISA-N 2 1 193.294 1.352 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 168982507 344341365 /nfs/dbraw/zinc/34/13/65/344341365.db2.gz PUJBRHNKGFNUCZ-WDEREUQCSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 168982425 344341375 /nfs/dbraw/zinc/34/13/75/344341375.db2.gz PUJBRHNKGFNUCZ-GHMZBOCLSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 168982594 344341512 /nfs/dbraw/zinc/34/15/12/344341512.db2.gz PUJBRHNKGFNUCZ-MNOVXSKESA-N 2 1 182.311 1.764 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 168972440 344341557 /nfs/dbraw/zinc/34/15/57/344341557.db2.gz CCRXKIRSQVVNEL-FCVPOFOPSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 168982694 344341727 /nfs/dbraw/zinc/34/17/27/344341727.db2.gz PUJBRHNKGFNUCZ-QWRGUYRKSA-N 2 1 182.311 1.764 10 0 ADAEMP Cc1ccc[nH+]c1NCC1(C[NH3+])CC1 169005201 344341990 /nfs/dbraw/zinc/34/19/90/344341990.db2.gz NBNPUQHRKLDQJG-UHFFFAOYSA-N 2 1 191.278 1.541 10 0 ADAEMP CC(C)(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 169044823 344342966 /nfs/dbraw/zinc/34/29/66/344342966.db2.gz GECHHKZVRGNJPP-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 169044823 344342969 /nfs/dbraw/zinc/34/29/69/344342969.db2.gz GECHHKZVRGNJPP-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C1CC([N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 169033505 344343203 /nfs/dbraw/zinc/34/32/03/344343203.db2.gz LOUFLDZFUQKMOE-ZJUUUORDSA-N 2 1 180.295 1.365 10 0 ADAEMP C1CC([N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 169033505 344343204 /nfs/dbraw/zinc/34/32/04/344343204.db2.gz LOUFLDZFUQKMOE-ZJUUUORDSA-N 2 1 180.295 1.365 10 0 ADAEMP CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 169148713 344346932 /nfs/dbraw/zinc/34/69/32/344346932.db2.gz DJNMPNVYACDKDW-UHFFFAOYSA-N 2 1 190.290 1.742 10 0 ADAEMP Cc1c[nH+]c([C@H]2CC[NH2+]C2)n1C(C)C 169676614 344351251 /nfs/dbraw/zinc/35/12/51/344351251.db2.gz PCCLVCGROVWGLI-JTQLQIEISA-N 2 1 193.294 1.849 10 0 ADAEMP Cc1c[nH+]c([C@@H]2CC[NH2+]C2)n1C(C)C 169676613 344351255 /nfs/dbraw/zinc/35/12/55/344351255.db2.gz PCCLVCGROVWGLI-SNVBAGLBSA-N 2 1 193.294 1.849 10 0 ADAEMP Cc1c[nH+]c(CC[NH3+])n1CC1CC1 169676625 344351417 /nfs/dbraw/zinc/35/14/17/344351417.db2.gz AMEGDBICRWPRIX-UHFFFAOYSA-N 2 1 179.267 1.103 10 0 ADAEMP CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 211343498 344377303 /nfs/dbraw/zinc/37/73/03/344377303.db2.gz GDORNWZPLNDHTP-SNVBAGLBSA-N 2 1 168.284 1.082 10 0 ADAEMP CCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 211343336 344377337 /nfs/dbraw/zinc/37/73/37/344377337.db2.gz GEVWQEITOIQELW-LLVKDONJSA-N 2 1 182.311 1.472 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 211356187 344377427 /nfs/dbraw/zinc/37/74/27/344377427.db2.gz AZURIPFEHSTNKK-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 211356109 344377443 /nfs/dbraw/zinc/37/74/43/344377443.db2.gz AZURIPFEHSTNKK-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC1=NC[C@@H]2CCC[N@H+]3CCC[C@H]1[C@H]23 210826171 344377579 /nfs/dbraw/zinc/37/75/79/344377579.db2.gz IDKUMQUBXBQLBD-TUAOUCFPSA-N 2 1 192.306 1.952 10 0 ADAEMP CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 211343564 344377597 /nfs/dbraw/zinc/37/75/97/344377597.db2.gz GDORNWZPLNDHTP-JTQLQIEISA-N 2 1 168.284 1.082 10 0 ADAEMP CCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 211343401 344377679 /nfs/dbraw/zinc/37/76/79/344377679.db2.gz GEVWQEITOIQELW-NSHDSACASA-N 2 1 182.311 1.472 10 0 ADAEMP [NH3+]CC/C=C1\CC[N@H+](C2CC2)C1 214913044 344384090 /nfs/dbraw/zinc/38/40/90/344384090.db2.gz GIOJQVSCGZXMRP-XNWCZRBMSA-N 2 1 166.268 1.130 10 0 ADAEMP C[C@@H]([NH3+])C[C@H]1CCCCC[N@H+]1C 215723945 344391376 /nfs/dbraw/zinc/39/13/76/344391376.db2.gz KFPIPINIUNMKST-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]([NH3+])C[C@H]1CCCCC[N@H+]1C 215723898 344391466 /nfs/dbraw/zinc/39/14/66/344391466.db2.gz KFPIPINIUNMKST-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCCCC[N@H+]1C 215723802 344391478 /nfs/dbraw/zinc/39/14/78/344391478.db2.gz KFPIPINIUNMKST-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H]1CCCCC[N@H+]1C 215723849 344391498 /nfs/dbraw/zinc/39/14/98/344391498.db2.gz KFPIPINIUNMKST-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@@H+](CC2CC2)C1 215781131 344391912 /nfs/dbraw/zinc/39/19/12/344391912.db2.gz FYCZXSZJZHUJNQ-LLVKDONJSA-N 2 1 182.311 1.457 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@@H+](CC2CC2)C1 215781085 344391971 /nfs/dbraw/zinc/39/19/71/344391971.db2.gz FYCZXSZJZHUJNQ-NSHDSACASA-N 2 1 182.311 1.457 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@H+](C2CCC2)C1 215781764 344392038 /nfs/dbraw/zinc/39/20/38/344392038.db2.gz RYHAGTXNFCXDET-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@@H+](CC2CCC2)C1 215781240 344392079 /nfs/dbraw/zinc/39/20/79/344392079.db2.gz PRDYWOOFTKYNIV-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+](CC2CCC2)CC1 215785168 344392110 /nfs/dbraw/zinc/39/21/10/344392110.db2.gz FRMXEELAWFMKAI-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@H+](C2CC2)C1 215781692 344392115 /nfs/dbraw/zinc/39/21/15/344392115.db2.gz WPRRZYYBQXEPEO-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CCC2)CC1 215785212 344392127 /nfs/dbraw/zinc/39/21/27/344392127.db2.gz FRMXEELAWFMKAI-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@H+](C2CC2)C1 215781647 344392183 /nfs/dbraw/zinc/39/21/83/344392183.db2.gz WPRRZYYBQXEPEO-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@@H]1CCCC[N@@H+](CC2CCC2)C1 215781192 344392289 /nfs/dbraw/zinc/39/22/89/344392289.db2.gz PRDYWOOFTKYNIV-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]C[C@H]1CCCC[N@H+](C2CCC2)C1 215781814 344392442 /nfs/dbraw/zinc/39/24/42/344392442.db2.gz RYHAGTXNFCXDET-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](CC2CCC2)CC1 215787345 344392583 /nfs/dbraw/zinc/39/25/83/344392583.db2.gz GZNYSUOSKZITJH-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](CC2CC2)CC1 215787193 344392647 /nfs/dbraw/zinc/39/26/47/344392647.db2.gz STJBEJHWKPQUMD-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](CC2CCC2)CC1 215787298 344392708 /nfs/dbraw/zinc/39/27/08/344392708.db2.gz GZNYSUOSKZITJH-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](CC2CC2)CC1 215787234 344392898 /nfs/dbraw/zinc/39/28/98/344392898.db2.gz STJBEJHWKPQUMD-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C(C)(C)C)CC1 215852600 344393562 /nfs/dbraw/zinc/39/35/62/344393562.db2.gz MWDULCDFIKJPTR-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C(C)(C)C)CC1 215852551 344393645 /nfs/dbraw/zinc/39/36/45/344393645.db2.gz MWDULCDFIKJPTR-JTQLQIEISA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)(C)[N@H+]1CCC[C@H](C[NH3+])CC1 215852424 344393834 /nfs/dbraw/zinc/39/38/34/344393834.db2.gz DCLLXLOKEJAPEJ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)(C)[N@H+]1CCC[C@@H](C[NH3+])CC1 215852483 344393759 /nfs/dbraw/zinc/39/37/59/344393759.db2.gz DCLLXLOKEJAPEJ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@@H](N)C(C)(C)C 216247077 344396059 /nfs/dbraw/zinc/39/60/59/344396059.db2.gz SMAACAJKPYKLJT-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 216236159 344396050 /nfs/dbraw/zinc/39/60/50/344396050.db2.gz HSEBFRIZPKYULR-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C 216247077 344396061 /nfs/dbraw/zinc/39/60/61/344396061.db2.gz SMAACAJKPYKLJT-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C 216247077 344396064 /nfs/dbraw/zinc/39/60/64/344396064.db2.gz SMAACAJKPYKLJT-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CCC[N@@H+]1C[C@H](C)C[NH3+] 216239569 344396226 /nfs/dbraw/zinc/39/62/26/344396226.db2.gz NJNVZNZRLCYXEP-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C 216247031 344396375 /nfs/dbraw/zinc/39/63/75/344396375.db2.gz SMAACAJKPYKLJT-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CCC[N@@H+]1[C@H](C)CC[NH3+] 216240383 344396270 /nfs/dbraw/zinc/39/62/70/344396270.db2.gz GJYYZAWPWGJETN-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCC[C@@H]1C 216245837 344396337 /nfs/dbraw/zinc/39/63/37/344396337.db2.gz OCGDMJHKEMBGTL-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H](N)C(C)(C)C 216247031 344396374 /nfs/dbraw/zinc/39/63/74/344396374.db2.gz SMAACAJKPYKLJT-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 216236071 344396385 /nfs/dbraw/zinc/39/63/85/344396385.db2.gz HSEBFRIZPKYULR-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CCC2)C[C@@H]1C 216369203 344397012 /nfs/dbraw/zinc/39/70/12/344397012.db2.gz GWZIFFNRFXBTSB-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+][C@@H](C)CC[N@H+](C2CCC2)C1 216372001 344397061 /nfs/dbraw/zinc/39/70/61/344397061.db2.gz SXXRLEBBPJYVDB-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1C[NH2+][C@H](C)CC[N@H+](C2CCC2)C1 216372052 344397121 /nfs/dbraw/zinc/39/71/21/344397121.db2.gz SXXRLEBBPJYVDB-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+](C)C 216455071 344397368 /nfs/dbraw/zinc/39/73/68/344397368.db2.gz YQHOTCVVDQUCDA-AEJSXWLSSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+](C)C 216454971 344397479 /nfs/dbraw/zinc/39/74/79/344397479.db2.gz YQHOTCVVDQUCDA-BBBLOLIVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C 216467983 344397485 /nfs/dbraw/zinc/39/74/85/344397485.db2.gz YIOHOIOVVKUYGP-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C 216467983 344397488 /nfs/dbraw/zinc/39/74/88/344397488.db2.gz YIOHOIOVVKUYGP-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+]([C@H]2C[C@H]2C)C1 216466321 344397533 /nfs/dbraw/zinc/39/75/33/344397533.db2.gz QRLCTBNPWXKJMJ-KKOKHZNYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@H+]([C@@H]2C[C@H]2C)C1 216466544 344397552 /nfs/dbraw/zinc/39/75/52/344397552.db2.gz BZCRZBQEZOMLSP-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP 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1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@H+]([C@H]2C[C@H]2C)C1 216466464 344397766 /nfs/dbraw/zinc/39/77/66/344397766.db2.gz BZCRZBQEZOMLSP-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1[C@H]1C[C@H]1C 216451229 344397787 /nfs/dbraw/zinc/39/77/87/344397787.db2.gz WMDJAYJCFXKSQL-RGOKHQFPSA-N 2 1 168.284 1.206 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H]1C 216536243 344398114 /nfs/dbraw/zinc/39/81/14/344398114.db2.gz NTKYELJPYCSLOD-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C/C=C\C[N@@H+]1[C@H](C)CCC[C@@H]1C[NH3+] 216615912 344398557 /nfs/dbraw/zinc/39/85/57/344398557.db2.gz VJXPRPJYDZEARY-ANDSXOESSA-N 2 1 182.311 1.764 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H]1C 216617721 344398697 /nfs/dbraw/zinc/39/86/97/344398697.db2.gz XRTAFEYOOSHLEG-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CCC[C@@H]1C 216617721 344398700 /nfs/dbraw/zinc/39/87/00/344398700.db2.gz XRTAFEYOOSHLEG-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP 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219957130 344430005 /nfs/dbraw/zinc/43/00/05/344430005.db2.gz YLLAKCSMWLWGRQ-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C)C[NH2+]1 219956668 344430036 /nfs/dbraw/zinc/43/00/36/344430036.db2.gz OSMBXWSSGHOJEN-GMTAPVOTSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 220187183 344430850 /nfs/dbraw/zinc/43/08/50/344430850.db2.gz SFIBHYIGKFYZAK-GMTAPVOTSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2C=C[C@@H]([NH3+])C2)C[C@@H]1C 220201837 344431061 /nfs/dbraw/zinc/43/10/61/344431061.db2.gz GTMZWQGEDXOVKX-WRWGMCAJSA-N 2 1 194.322 1.478 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2C=C[C@@H]([NH3+])C2)C1 220187672 344431111 /nfs/dbraw/zinc/43/11/11/344431111.db2.gz NGAQRROZNGLSJW-GMTAPVOTSA-N 2 1 180.295 1.232 10 0 ADAEMP C/C=C\C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 220337647 344432219 /nfs/dbraw/zinc/43/22/19/344432219.db2.gz GKGPNEKFUGAVNU-ZZVHHRJTSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 220337647 344432222 /nfs/dbraw/zinc/43/22/22/344432222.db2.gz GKGPNEKFUGAVNU-ZZVHHRJTSA-N 2 1 194.322 1.779 10 0 ADAEMP CC(C)C(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@@H]12 220684830 344434144 /nfs/dbraw/zinc/43/41/44/344434144.db2.gz BLXGEWNTSOANPG-UWVGGRQHSA-N 2 1 195.310 1.446 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@@H]12 220684445 344434175 /nfs/dbraw/zinc/43/41/75/344434175.db2.gz QVPBLSDKGPIHNB-BDAKNGLRSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(=[NH2+])N[C@H]1CC[N@H+]2CCCC[C@@H]12 220671374 344434199 /nfs/dbraw/zinc/43/41/99/344434199.db2.gz GHSUMXVUYCDVFH-UWVGGRQHSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 220671314 344434297 /nfs/dbraw/zinc/43/42/97/344434297.db2.gz GHSUMXVUYCDVFH-ZJUUUORDSA-N 2 1 181.283 1.200 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@H+]2CCCC[C@@H]12 220687139 344434315 /nfs/dbraw/zinc/43/43/15/344434315.db2.gz ISZRZQQIXOOJJV-UWVGGRQHSA-N 2 1 195.310 1.590 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@@H]12 220684504 344434449 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/nfs/dbraw/zinc/44/15/04/344441504.db2.gz RPIGCVQSIIPZLF-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP CC(C)C[N@@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221303674 344441551 /nfs/dbraw/zinc/44/15/51/344441551.db2.gz YHLGRYUUHDOSJZ-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221303674 344441553 /nfs/dbraw/zinc/44/15/53/344441553.db2.gz YHLGRYUUHDOSJZ-MNOVXSKESA-N 2 1 182.311 1.326 10 0 ADAEMP C1CC([N@@H+]2CCC[C@H]3C[NH2+]C[C@@H]32)C1 221318464 344441581 /nfs/dbraw/zinc/44/15/81/344441581.db2.gz RPIGCVQSIIPZLF-ONGXEEELSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC([N@H+]2CCC[C@H]3C[NH2+]C[C@@H]32)C1 221318464 344441583 /nfs/dbraw/zinc/44/15/83/344441583.db2.gz RPIGCVQSIIPZLF-ONGXEEELSA-N 2 1 180.295 1.223 10 0 ADAEMP CC(C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 221303735 344441643 /nfs/dbraw/zinc/44/16/43/344441643.db2.gz YHLGRYUUHDOSJZ-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCC[C@@H](C)C1 221301079 344441701 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/nfs/dbraw/zinc/44/20/76/344442076.db2.gz ZNZCJDQBXSNGQP-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 221326236 344442078 /nfs/dbraw/zinc/44/20/78/344442078.db2.gz ZNZCJDQBXSNGQP-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@@H]2[N@H+](CC2CC2)C1 221360197 344442106 /nfs/dbraw/zinc/44/21/06/344442106.db2.gz LHTBPLUREGPVRU-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@@H]2[N@@H+](CC2CC2)C1 221360197 344442109 /nfs/dbraw/zinc/44/21/09/344442109.db2.gz LHTBPLUREGPVRU-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP CC[C@H](C)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221323535 344442164 /nfs/dbraw/zinc/44/21/64/344442164.db2.gz CWOAIPXZMWXMPD-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221323535 344442167 /nfs/dbraw/zinc/44/21/67/344442167.db2.gz CWOAIPXZMWXMPD-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 221336773 344442192 /nfs/dbraw/zinc/44/21/92/344442192.db2.gz SQHPKNJAWNQTEO-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C1C[C@H]2C[NH2+]C[C@@H]2[N@H+](CC2CC2)C1 221360245 344442219 /nfs/dbraw/zinc/44/22/19/344442219.db2.gz LHTBPLUREGPVRU-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@H]2C[NH2+]C[C@@H]2[N@@H+](CC2CC2)C1 221360245 344442221 /nfs/dbraw/zinc/44/22/21/344442221.db2.gz LHTBPLUREGPVRU-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221336712 344442246 /nfs/dbraw/zinc/44/22/46/344442246.db2.gz SQHPKNJAWNQTEO-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221323456 344442315 /nfs/dbraw/zinc/44/23/15/344442315.db2.gz CWOAIPXZMWXMPD-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221323456 344442317 /nfs/dbraw/zinc/44/23/17/344442317.db2.gz CWOAIPXZMWXMPD-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221326176 344442405 /nfs/dbraw/zinc/44/24/05/344442405.db2.gz ZNZCJDQBXSNGQP-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 221345725 344442398 /nfs/dbraw/zinc/44/23/98/344442398.db2.gz UBGQUZMTGWWTGN-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 221345725 344442399 /nfs/dbraw/zinc/44/23/99/344442399.db2.gz UBGQUZMTGWWTGN-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCCC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 221326176 344442404 /nfs/dbraw/zinc/44/24/04/344442404.db2.gz ZNZCJDQBXSNGQP-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CC[C@@H]([NH3+])C1 221382264 344442546 /nfs/dbraw/zinc/44/25/46/344442546.db2.gz ZTUPYNMHWKXGNM-PSASIEDQSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@@H+](C[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 221394812 344442588 /nfs/dbraw/zinc/44/25/88/344442588.db2.gz YUFWSPMSTXQLSM-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CC[C@@H]([NH3+])C1 221382325 344442661 /nfs/dbraw/zinc/44/26/61/344442661.db2.gz ZTUPYNMHWKXGNM-SCZZXKLOSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 221394750 344442826 /nfs/dbraw/zinc/44/28/26/344442826.db2.gz YUFWSPMSTXQLSM-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CCC[C@@H]([NH3+])C1 221386022 344442834 /nfs/dbraw/zinc/44/28/34/344442834.db2.gz BAJIRCCCGNXYGO-KOLCDFICSA-N 2 1 182.311 1.741 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CCC[C@@H]([NH3+])C1 221385968 344442968 /nfs/dbraw/zinc/44/29/68/344442968.db2.gz BAJIRCCCGNXYGO-MWLCHTKSSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CCCC[C@@H]1C 221639555 344444871 /nfs/dbraw/zinc/44/48/71/344444871.db2.gz QVNSDLPZPFYUEJ-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H](N)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C)C1 221630751 344445097 /nfs/dbraw/zinc/44/50/97/344445097.db2.gz CSMLEHFHKRXROZ-RCWTZXSCSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)N1CC[C@@H](C)[C@@H](C)C1 221630751 344445098 /nfs/dbraw/zinc/44/50/98/344445098.db2.gz CSMLEHFHKRXROZ-RCWTZXSCSA-N 2 1 184.327 1.700 10 0 ADAEMP CC[C@@H]1CC[C@H]([NH2+]C)[C@@H]([NH+](C)C)C1 221759246 344445447 /nfs/dbraw/zinc/44/54/47/344445447.db2.gz SIHLITXYHXNANM-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1CC[C@@H]([NH2+]C)[C@@H]([NH+](C)C)C1 221759140 344445620 /nfs/dbraw/zinc/44/56/20/344445620.db2.gz SIHLITXYHXNANM-MXWKQRLJSA-N 2 1 184.327 1.715 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@@H]1C 221782031 344445936 /nfs/dbraw/zinc/44/59/36/344445936.db2.gz VRCIKRSZLIFJRZ-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)[C@@H]1C 221779048 344446063 /nfs/dbraw/zinc/44/60/63/344446063.db2.gz SJXNJRFQPIPACH-GARJFASQSA-N 2 1 184.327 1.715 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@@H]2[N@H+](CCC2CC2)C1 221822384 344446089 /nfs/dbraw/zinc/44/60/89/344446089.db2.gz FNARGDCDPRWLAL-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@@H]2[N@@H+](CCC2CC2)C1 221822384 344446091 /nfs/dbraw/zinc/44/60/91/344446091.db2.gz FNARGDCDPRWLAL-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2C[NH2+]C[C@@H]2[N@H+](CCC2CC2)C1 221822453 344446108 /nfs/dbraw/zinc/44/61/08/344446108.db2.gz FNARGDCDPRWLAL-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2C[NH2+]C[C@@H]2[N@@H+](CCC2CC2)C1 221822453 344446110 /nfs/dbraw/zinc/44/61/10/344446110.db2.gz FNARGDCDPRWLAL-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@@H](C)[C@@H]1C 221779300 344446115 /nfs/dbraw/zinc/44/61/15/344446115.db2.gz GWVWMGALMGOKML-GARJFASQSA-N 2 1 184.327 1.713 10 0 ADAEMP C[N@H+]1C[C@H](C2CCCCC2)[C@@H]([NH3+])C1 221780928 344446137 /nfs/dbraw/zinc/44/61/37/344446137.db2.gz FBCKDUCZBBCBMU-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+]1C[C@H](C2CCCCC2)[C@@H]([NH3+])C1 221780928 344446139 /nfs/dbraw/zinc/44/61/39/344446139.db2.gz FBCKDUCZBBCBMU-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)C(N)=[NH2+] 221893737 344447224 /nfs/dbraw/zinc/44/72/24/344447224.db2.gz WEHRDRQSKIWISP-BDAKNGLRSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@@H+](C)C2CC2)C1 222002348 344447696 /nfs/dbraw/zinc/44/76/96/344447696.db2.gz KAQPBKGFKLZOTR-IEBDPFPHSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1CC[C@@H]([NH3+])[C@@H]([N@@H+](C)C2CC2)C1 222003806 344447741 /nfs/dbraw/zinc/44/77/41/344447741.db2.gz GGWSTQCEXJHCQY-JLLWLGSASA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+](C)C2CC2)C1 222003903 344447758 /nfs/dbraw/zinc/44/77/58/344447758.db2.gz GGWSTQCEXJHCQY-USWWRNFRSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+](C)C2CC2)C1 222002464 344447947 /nfs/dbraw/zinc/44/79/47/344447947.db2.gz KAQPBKGFKLZOTR-MIMYLULJSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1[C@@H](C)[C@H](C)C[NH3+] 222120877 344448974 /nfs/dbraw/zinc/44/89/74/344448974.db2.gz TXBWATYHXGVRQO-VWYCJHECSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@@H](C)[C@H](C)C[NH3+])C1 222124868 344449080 /nfs/dbraw/zinc/44/90/80/344449080.db2.gz ZFBOGNKXJODATM-KXNHARMFSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)[C@@H](C)C[NH3+])C1 222124760 344449166 /nfs/dbraw/zinc/44/91/66/344449166.db2.gz ZFBOGNKXJODATM-WHOHXGKFSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]([C@H](C)[C@H](C)C[NH3+])C1 222124814 344449281 /nfs/dbraw/zinc/44/92/81/344449281.db2.gz ZFBOGNKXJODATM-WRWGMCAJSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1[C@H](C)[C@H](C)C[NH3+] 222120825 344449392 /nfs/dbraw/zinc/44/93/92/344449392.db2.gz TXBWATYHXGVRQO-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C 222165887 344449521 /nfs/dbraw/zinc/44/95/21/344449521.db2.gz AUNYRZCFOJENTN-GUBZILKMSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@H](C)CC[C@@H]1C 222165941 344449523 /nfs/dbraw/zinc/44/95/23/344449523.db2.gz AUNYRZCFOJENTN-UTLUCORTSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@@H](C)C[C@@H]1C 222166097 344449619 /nfs/dbraw/zinc/44/96/19/344449619.db2.gz FHNIRSJYOOAGEK-UTLUCORTSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@@H](C)[C@@H]1C 222166366 344449874 /nfs/dbraw/zinc/44/98/74/344449874.db2.gz GLQXZEKURZFLGO-UTLUCORTSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@H](C)[C@@H]1C 222166485 344449951 /nfs/dbraw/zinc/44/99/51/344449951.db2.gz GLQXZEKURZFLGO-GUBZILKMSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@H](C)C[C@@H]1C 222166225 344449957 /nfs/dbraw/zinc/44/99/57/344449957.db2.gz FHNIRSJYOOAGEK-GUBZILKMSA-N 2 1 170.300 1.359 10 0 ADAEMP CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 222495050 344452296 /nfs/dbraw/zinc/45/22/96/344452296.db2.gz SWTPZMPXDZOYIZ-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 222495050 344452297 /nfs/dbraw/zinc/45/22/97/344452297.db2.gz SWTPZMPXDZOYIZ-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 222494989 344452316 /nfs/dbraw/zinc/45/23/16/344452316.db2.gz SWTPZMPXDZOYIZ-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 222494989 344452318 /nfs/dbraw/zinc/45/23/18/344452318.db2.gz SWTPZMPXDZOYIZ-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]([NH3+])C2CC2)C1 222534303 344452781 /nfs/dbraw/zinc/45/27/81/344452781.db2.gz RJNJDZFNTKITTB-FXPVBKGRSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 222498407 344452786 /nfs/dbraw/zinc/45/27/86/344452786.db2.gz BIGXRTZQXKXIGW-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 222498407 344452787 /nfs/dbraw/zinc/45/27/87/344452787.db2.gz BIGXRTZQXKXIGW-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C(C)C)C1 222498319 344452802 /nfs/dbraw/zinc/45/28/02/344452802.db2.gz PAILYCLLTICZQH-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C(C)C)C1 222498319 344452803 /nfs/dbraw/zinc/45/28/03/344452803.db2.gz PAILYCLLTICZQH-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C1 222498460 344452881 /nfs/dbraw/zinc/45/28/81/344452881.db2.gz BIGXRTZQXKXIGW-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C1 222498460 344452885 /nfs/dbraw/zinc/45/28/85/344452885.db2.gz BIGXRTZQXKXIGW-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 222533300 344452986 /nfs/dbraw/zinc/45/29/86/344452986.db2.gz RPYSIQCOWMOADB-LMLFDSFASA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H]1C 222546371 344453022 /nfs/dbraw/zinc/45/30/22/344453022.db2.gz NBEQQUVOPCLKEB-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@@H]([NH3+])C1 223115653 344456500 /nfs/dbraw/zinc/45/65/00/344456500.db2.gz BEMMPNALWHDCNC-SCZZXKLOSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[C@@H]([NH3+])C1 223115483 344456621 /nfs/dbraw/zinc/45/66/21/344456621.db2.gz YROYPKPCYPHSMV-PSASIEDQSA-N 2 1 168.284 1.351 10 0 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344485377 /nfs/dbraw/zinc/48/53/77/344485377.db2.gz LDMORKIKHKFENO-KXUCPTDWSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C)N1CCC[NH2+][C@@H](C2CC2)C1 225835476 344487988 /nfs/dbraw/zinc/48/79/88/344487988.db2.gz ZLILQBNXEIEVIO-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)N1CCC[NH2+][C@@H](C2CC2)C1 225835459 344488092 /nfs/dbraw/zinc/48/80/92/344488092.db2.gz ZLILQBNXEIEVIO-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H](C)N1CCC[NH2+][C@@H](C)C1 225835327 344488130 /nfs/dbraw/zinc/48/81/30/344488130.db2.gz WMAAOASPXUJKSJ-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H](C)N1CCC[NH2+][C@@H](C)C1 225835346 344488157 /nfs/dbraw/zinc/48/81/57/344488157.db2.gz WMAAOASPXUJKSJ-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@H]1CN([C@H](C)CC)CCC[NH2+]1 225835285 344488227 /nfs/dbraw/zinc/48/82/27/344488227.db2.gz VZVYHEWHGHOQSB-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 226083413 344491965 /nfs/dbraw/zinc/49/19/65/344491965.db2.gz JKJRAMMTPPUSTB-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 226083413 344491967 /nfs/dbraw/zinc/49/19/67/344491967.db2.gz JKJRAMMTPPUSTB-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 226083413 344491971 /nfs/dbraw/zinc/49/19/71/344491971.db2.gz JKJRAMMTPPUSTB-JTQLQIEISA-N 2 1 168.284 1.034 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 226083429 344492136 /nfs/dbraw/zinc/49/21/36/344492136.db2.gz JKJRAMMTPPUSTB-SNVBAGLBSA-N 2 1 168.284 1.034 10 0 ADAEMP C[C@H](CC1CC1)[N@@H+]1CC[C@@H]([NH3+])C1 226134487 344492232 /nfs/dbraw/zinc/49/22/32/344492232.db2.gz AHHXOFPFDNLGBB-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](CC1CC1)[N@H+]1CC[C@@H]([NH3+])C1 226134487 344492234 /nfs/dbraw/zinc/49/22/34/344492234.db2.gz AHHXOFPFDNLGBB-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](CC1CC1)[N@@H+]1CC[C@@H]([NH3+])C1 226134480 344492537 /nfs/dbraw/zinc/49/25/37/344492537.db2.gz AHHXOFPFDNLGBB-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CC[C@@H]([NH3+])C1 226134480 344492539 /nfs/dbraw/zinc/49/25/39/344492539.db2.gz AHHXOFPFDNLGBB-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 226192439 344494608 /nfs/dbraw/zinc/49/46/08/344494608.db2.gz AXKVQKACRWHSTO-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 226192439 344494610 /nfs/dbraw/zinc/49/46/10/344494610.db2.gz AXKVQKACRWHSTO-VHSXEESVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CC[C@@H]1C 226277029 344497510 /nfs/dbraw/zinc/49/75/10/344497510.db2.gz AJIXUHWNPDUBMF-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CC[C@@H]1C 226277029 344497512 /nfs/dbraw/zinc/49/75/12/344497512.db2.gz AJIXUHWNPDUBMF-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@@H]1C 226276572 344497571 /nfs/dbraw/zinc/49/75/71/344497571.db2.gz GCVZUFRQUXRXPH-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@@H]1C 226276572 344497573 /nfs/dbraw/zinc/49/75/73/344497573.db2.gz GCVZUFRQUXRXPH-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226297052 344497928 /nfs/dbraw/zinc/49/79/28/344497928.db2.gz SRONFJIUDMTGPX-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CCCC[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 226298620 344497971 /nfs/dbraw/zinc/49/79/71/344497971.db2.gz HSXBNDQILUNSAQ-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226297060 344497990 /nfs/dbraw/zinc/49/79/90/344497990.db2.gz SRONFJIUDMTGPX-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CCCC[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 226298627 344498172 /nfs/dbraw/zinc/49/81/72/344498172.db2.gz HSXBNDQILUNSAQ-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1[NH3+] 226347561 344500477 /nfs/dbraw/zinc/50/04/77/344500477.db2.gz QQCXDTONDCLBRY-OPRDCNLKSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@H+]1CCC[C@@H](C[NH3+])C1 226373886 344500876 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CC[C@@H](C)[N@H+]1CCC[C@@H](C(N)=[NH2+])C1 227580818 344536760 /nfs/dbraw/zinc/53/67/60/344536760.db2.gz NJEACLNXZVFUSZ-RKDXNWHRSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH2+]C)C2)C1 227667113 344543295 /nfs/dbraw/zinc/54/32/95/344543295.db2.gz PTSRZXYVIAUXQT-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH2+]C)C2)C1 227667113 344543297 /nfs/dbraw/zinc/54/32/97/344543297.db2.gz PTSRZXYVIAUXQT-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C)C2)C1 227665813 344543347 /nfs/dbraw/zinc/54/33/47/344543347.db2.gz WRPACKFSELNVQQ-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C)C2)C1 227665813 344543349 /nfs/dbraw/zinc/54/33/49/344543349.db2.gz WRPACKFSELNVQQ-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH2+]C)C2)C1 227667101 344543418 /nfs/dbraw/zinc/54/34/18/344543418.db2.gz PTSRZXYVIAUXQT-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH2+]C)C2)C1 227667101 344543420 /nfs/dbraw/zinc/54/34/20/344543420.db2.gz PTSRZXYVIAUXQT-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 227766064 344546718 /nfs/dbraw/zinc/54/67/18/344546718.db2.gz MXMXUKUIJSSPEV-QWRGUYRKSA-N 2 1 184.327 1.559 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 227795196 344547782 /nfs/dbraw/zinc/54/77/82/344547782.db2.gz HRQWDDFOTCAHMA-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 227803809 344548201 /nfs/dbraw/zinc/54/82/01/344548201.db2.gz ARXOTWVFEIJPQT-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 227808672 344548218 /nfs/dbraw/zinc/54/82/18/344548218.db2.gz JASJEHMCIQTTJH-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@@H]([NH3+])C1 227800032 344548227 /nfs/dbraw/zinc/54/82/27/344548227.db2.gz IOCFKRACWASORC-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C1CC1 227800061 344548277 /nfs/dbraw/zinc/54/82/77/344548277.db2.gz RLSOANLAWUSGAM-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)C1 227802446 344548328 /nfs/dbraw/zinc/54/83/28/344548328.db2.gz FEGLCDYASZZKDP-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](C[C@@H]1CC[C@@H]([NH3+])C1)C1CC1 227800055 344548345 /nfs/dbraw/zinc/54/83/45/344548345.db2.gz RLSOANLAWUSGAM-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1CC[C@@H]([NH3+])C1 227808669 344548408 /nfs/dbraw/zinc/54/84/08/344548408.db2.gz JASJEHMCIQTTJH-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 227800038 344548412 /nfs/dbraw/zinc/54/84/12/344548412.db2.gz IOCFKRACWASORC-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 227803805 344548599 /nfs/dbraw/zinc/54/85/99/344548599.db2.gz ARXOTWVFEIJPQT-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([C@H]3CC[NH2+]C3)[C@@H]2C1 227924674 344550397 /nfs/dbraw/zinc/55/03/97/344550397.db2.gz SUWBHDMWRGLQDM-TUAOUCFPSA-N 2 1 194.322 1.470 10 0 ADAEMP C1CC[N@@H+]2CC[C@@]3(CC[NH2+]C3)[C@H]2C1 227925496 344550632 /nfs/dbraw/zinc/55/06/32/344550632.db2.gz OPCPIVJFRYZDFY-GHMZBOCLSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC[N@@H+]2CC[C@]3(CC[NH2+]C3)[C@H]2C1 227925503 344550703 /nfs/dbraw/zinc/55/07/03/344550703.db2.gz OPCPIVJFRYZDFY-MNOVXSKESA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([N@@H+]2CCC[C@H]2C)C1 227937855 344551189 /nfs/dbraw/zinc/55/11/89/344551189.db2.gz IJIIMZHUCBOADZ-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([N@H+]2CC[C@@H](C)C2)C1 227937962 344551249 /nfs/dbraw/zinc/55/12/49/344551249.db2.gz APOQNLVRAKYUKQ-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([N@H+]2CC[C@H](C)C2)C1 227937970 344551279 /nfs/dbraw/zinc/55/12/79/344551279.db2.gz APOQNLVRAKYUKQ-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCC[NH2+]2)C1 227955048 344552259 /nfs/dbraw/zinc/55/22/59/344552259.db2.gz HIDOLGOYUUQCJG-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1C[NH2+]C[C@@H](C)C1 227964516 344552831 /nfs/dbraw/zinc/55/28/31/344552831.db2.gz IBWNWSCWPOXKDS-WCBMZHEXSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1C[NH2+]C[C@H](C)C1 227964525 344552953 /nfs/dbraw/zinc/55/29/53/344552953.db2.gz IBWNWSCWPOXKDS-SCZZXKLOSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]ccn1[C@@H]1C[NH2+]C[C@@H](C)C1 227964508 344552974 /nfs/dbraw/zinc/55/29/74/344552974.db2.gz IBWNWSCWPOXKDS-WPRPVWTQSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1[nH+]ccn1[C@H]1C[NH2+]C[C@H](C)C1 227964534 344553004 /nfs/dbraw/zinc/55/30/04/344553004.db2.gz IBWNWSCWPOXKDS-PSASIEDQSA-N 2 1 179.267 1.362 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@H]21 227956415 344553019 /nfs/dbraw/zinc/55/30/19/344553019.db2.gz JSHCPNURPFBUQX-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@H]21 227956415 344553021 /nfs/dbraw/zinc/55/30/21/344553021.db2.gz JSHCPNURPFBUQX-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@@H]2CCCC[C@H]21 227969565 344553271 /nfs/dbraw/zinc/55/32/71/344553271.db2.gz XJCSHBWHUVSWEC-SDDRHHMPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]21 227971458 344553309 /nfs/dbraw/zinc/55/33/09/344553309.db2.gz HYBADHXNTPHGDR-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CC[C@@H]2CCCC[C@H]21 227967635 344553379 /nfs/dbraw/zinc/55/33/79/344553379.db2.gz FPRWPBDHOFXTDC-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]21 227971469 344553417 /nfs/dbraw/zinc/55/34/17/344553417.db2.gz HYBADHXNTPHGDR-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C1CC[C@@H]2[C@@H](C1)CC[N@@H+]2[C@H]1CC[NH2+]C1 227980224 344553958 /nfs/dbraw/zinc/55/39/58/344553958.db2.gz QDGRMZIXGUXBOC-SDDRHHMPSA-N 2 1 194.322 1.613 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CCCC[C@H]21 227989163 344554375 /nfs/dbraw/zinc/55/43/75/344554375.db2.gz WVZIVJACKCZDFK-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+]CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 228008719 344554389 /nfs/dbraw/zinc/55/43/89/344554389.db2.gz ODVQGMWARKIRAA-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[N@H+]1CCC[C@@H]2CCC[C@H]21 228008719 344554390 /nfs/dbraw/zinc/55/43/90/344554390.db2.gz ODVQGMWARKIRAA-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[N@@H+]1CCC[C@H]2CCC[C@H]21 228008730 344554437 /nfs/dbraw/zinc/55/44/37/344554437.db2.gz ODVQGMWARKIRAA-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CC[N@H+]1CCC[C@H]2CCC[C@H]21 228008730 344554438 /nfs/dbraw/zinc/55/44/38/344554438.db2.gz ODVQGMWARKIRAA-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@H]21 227989152 344554515 /nfs/dbraw/zinc/55/45/15/344554515.db2.gz WVZIVJACKCZDFK-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCC[C@@H]2CCC[C@H]21 227996729 344554578 /nfs/dbraw/zinc/55/45/78/344554578.db2.gz BZTQFLYAXWANEE-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228004403 344554610 /nfs/dbraw/zinc/55/46/10/344554610.db2.gz GTBVZVHIJZKJOM-SDDRHHMPSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@H]21 228004403 344554613 /nfs/dbraw/zinc/55/46/13/344554613.db2.gz GTBVZVHIJZKJOM-SDDRHHMPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228005525 344554809 /nfs/dbraw/zinc/55/48/09/344554809.db2.gz INFOFSRVSWOXFA-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@H]21 228005525 344554812 /nfs/dbraw/zinc/55/48/12/344554812.db2.gz INFOFSRVSWOXFA-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CC=CCC2)C1 228118805 344557753 /nfs/dbraw/zinc/55/77/53/344557753.db2.gz QTYKJLFCAZWVEX-ZJUUUORDSA-N 2 1 166.268 1.128 10 0 ADAEMP [NH3+]C/C=C/C[N@H+]1CCC[C@@H]2CCC[C@@H]21 228158549 344558276 /nfs/dbraw/zinc/55/82/76/344558276.db2.gz LYNOOKHKIHOOOS-NLMOASMRSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]C/C=C\C[N@H+]1CCC[C@@H]2CCC[C@@H]21 228158538 344558317 /nfs/dbraw/zinc/55/83/17/344558317.db2.gz LYNOOKHKIHOOOS-ZMCHVJTCSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 228181905 344558370 /nfs/dbraw/zinc/55/83/70/344558370.db2.gz WYSXFGRYNRNGQQ-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 228181913 344558466 /nfs/dbraw/zinc/55/84/66/344558466.db2.gz WYSXFGRYNRNGQQ-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]([NH3+])C2)C1 228162868 344558603 /nfs/dbraw/zinc/55/86/03/344558603.db2.gz XBOPPEGAFNXINB-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)C1 228206926 344559376 /nfs/dbraw/zinc/55/93/76/344559376.db2.gz LJFHHPIFFJBOBU-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@H](C)CC[N@H+]1CC1(C[NH3+])CC1 228336463 344561225 /nfs/dbraw/zinc/56/12/25/344561225.db2.gz CPIDZLZUDXOLEP-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2(C[NH3+])CC2)[C@@H](C)C1 228336470 344561447 /nfs/dbraw/zinc/56/14/47/344561447.db2.gz CPIDZLZUDXOLEP-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228538204 344563116 /nfs/dbraw/zinc/56/31/16/344563116.db2.gz WLVGITCMONATTM-NNYUYHANSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2C[NH2+]C2)[C@@H](C)C1 228598490 344564138 /nfs/dbraw/zinc/56/41/38/344564138.db2.gz UWEFAVGZQVVLFQ-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 228602859 344564216 /nfs/dbraw/zinc/56/42/16/344564216.db2.gz OTDXPIWYDLBLBC-KXNHARMFSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)C[N@@H+]1C[C@H]2CCC[C@H]2C1 228602849 344564248 /nfs/dbraw/zinc/56/42/48/344564248.db2.gz OTDXPIWYDLBLBC-FIQHERPVSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@@H]1C 228594322 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IBVSMLJFJYBKJH-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2(C)CCC2)C1 228867982 344572538 /nfs/dbraw/zinc/57/25/38/344572538.db2.gz CKYLYSLJBWSEAH-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2(C)CCC2)C1 228867982 344572540 /nfs/dbraw/zinc/57/25/40/344572540.db2.gz CKYLYSLJBWSEAH-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC1([N@H+]2CC[C@@H](C[NH3+])C2)CCC1 228868908 344572553 /nfs/dbraw/zinc/57/25/53/344572553.db2.gz JFTOKZPDFDSJCI-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC1([NH2+]CC2([NH3+])CC2)CCC1 228880830 344572931 /nfs/dbraw/zinc/57/29/31/344572931.db2.gz RXHBJLHKEKVVEG-UHFFFAOYSA-N 2 1 154.257 1.010 10 0 ADAEMP C[C@@H]1C[NH2+]CC[N@H+](C2(C)CC2)C1 228916480 344574955 /nfs/dbraw/zinc/57/49/55/344574955.db2.gz ISWJPFDTXFJAEN-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1C[NH2+]CC[N@H+](C2(C)CC2)C1 228916492 344575026 /nfs/dbraw/zinc/57/50/26/344575026.db2.gz ISWJPFDTXFJAEN-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H]1CC[N@H+](C2(C)CC2)CC[NH2+]1 228916546 344575087 /nfs/dbraw/zinc/57/50/87/344575087.db2.gz UUGRGYDEISDCAM-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2(C)CC2)CC[NH2+]1 228916532 344575116 /nfs/dbraw/zinc/57/51/16/344575116.db2.gz UUGRGYDEISDCAM-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)C[N@@H+](C2(C)CC2)CCCN1 228931666 344576133 /nfs/dbraw/zinc/57/61/33/344576133.db2.gz XKCMPPNMWJVMQK-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CN(C2(C)CC2)CCC[NH2+]1 228931666 344576136 /nfs/dbraw/zinc/57/61/36/344576136.db2.gz XKCMPPNMWJVMQK-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])C2CCCC2)C1 228945561 344576730 /nfs/dbraw/zinc/57/67/30/344576730.db2.gz RQMYJBRUFXYUEW-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])C2CCCC2)C1 228945547 344576995 /nfs/dbraw/zinc/57/69/95/344576995.db2.gz RQMYJBRUFXYUEW-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CC(C)C2)C[C@@H]1C 228979594 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LZPHFDBVLJIOGW-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]2CCC[C@H]21 229155571 344584637 /nfs/dbraw/zinc/58/46/37/344584637.db2.gz LZPHFDBVLJIOGW-TUAOUCFPSA-N 2 1 196.338 1.715 10 0 ADAEMP CSCCCC[NH2+][C@@H]1CC[NH2+]C1 229209315 344585855 /nfs/dbraw/zinc/58/58/55/344585855.db2.gz LPSQNSLVEGZUPX-SECBINFHSA-N 2 1 188.340 1.081 10 0 ADAEMP CSCCCC[NH2+][C@H]1CC[NH2+]C1 229209326 344585865 /nfs/dbraw/zinc/58/58/65/344585865.db2.gz LPSQNSLVEGZUPX-VIFPVBQESA-N 2 1 188.340 1.081 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](CCC[NH3+])[C@@H]1C 229368252 344593160 /nfs/dbraw/zinc/59/31/60/344593160.db2.gz BNRKBFSREWYTJW-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(N)=[NH2+])C1 229425055 344594654 /nfs/dbraw/zinc/59/46/54/344594654.db2.gz NFEZOJRFUGOGPM-IWSPIJDZSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(N)=[NH2+])C1 229425055 344594656 /nfs/dbraw/zinc/59/46/56/344594656.db2.gz NFEZOJRFUGOGPM-IWSPIJDZSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC(N)=[NH2+])C1 229425204 344594673 /nfs/dbraw/zinc/59/46/73/344594673.db2.gz NQZAGTGYQIWLFM-OPRDCNLKSA-N 2 1 197.326 1.679 10 0 ADAEMP CCC1([N@@H+]2CC[C@H]([NH3+])C2)CCC1 229500648 344598828 /nfs/dbraw/zinc/59/88/28/344598828.db2.gz RSFAHLIXVUDWCX-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CCC1([N@H+]2CC[C@H]([NH3+])C2)CCC1 229500648 344598830 /nfs/dbraw/zinc/59/88/30/344598830.db2.gz RSFAHLIXVUDWCX-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CCC1([N@@H+]2CC[C@@H]([NH3+])C2)CCC1 229500635 344598878 /nfs/dbraw/zinc/59/88/78/344598878.db2.gz RSFAHLIXVUDWCX-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC1([N@H+]2CC[C@@H]([NH3+])C2)CCC1 229500635 344598879 /nfs/dbraw/zinc/59/88/79/344598879.db2.gz RSFAHLIXVUDWCX-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC1([N@H+]2CC[C@@H](C[NH3+])C2)CCC1 229501399 344598889 /nfs/dbraw/zinc/59/88/89/344598889.db2.gz AKUFFYMFRZLOEP-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP 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XJKNVPZFQXGPSJ-NSHDSACASA-N 2 1 192.262 1.521 10 0 ADAEMP Cc1cc(O[C@H]2CCC[C@@H]2[NH3+])cc[nH+]1 229586145 344606697 /nfs/dbraw/zinc/60/66/97/344606697.db2.gz DCJSUPWTFMLVRR-QWRGUYRKSA-N 2 1 192.262 1.649 10 0 ADAEMP Cc1cc(O[C@H]2CC[NH2+]C2)cc[nH+]1 229584959 344606705 /nfs/dbraw/zinc/60/67/05/344606705.db2.gz DDRHAMAQOQAXLS-JTQLQIEISA-N 2 1 178.235 1.131 10 0 ADAEMP CCc1[nH+]ccn1[C@@H]1CC[NH2+][C@@H](C)C1 229582807 344606731 /nfs/dbraw/zinc/60/67/31/344606731.db2.gz JGUOPNOGPGDWSQ-VHSXEESVSA-N 2 1 193.294 1.759 10 0 ADAEMP CCc1[nH+]ccn1[C@H]1CC[NH2+][C@@H](C)C1 229582814 344606753 /nfs/dbraw/zinc/60/67/53/344606753.db2.gz JGUOPNOGPGDWSQ-UWVGGRQHSA-N 2 1 193.294 1.759 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N1CCCC1=[NH2+] 229631186 344608179 /nfs/dbraw/zinc/60/81/79/344608179.db2.gz PWBPHIMRYWCDFR-ZJUUUORDSA-N 2 1 195.310 1.400 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1N1CCCC1=[NH2+] 229631199 344608337 /nfs/dbraw/zinc/60/83/37/344608337.db2.gz PWBPHIMRYWCDFR-UWVGGRQHSA-N 2 1 195.310 1.400 10 0 ADAEMP CCCC(=[NH2+])N[C@H]1CC[N@@H+](C)C[C@@H]1C 229670855 344610569 /nfs/dbraw/zinc/61/05/69/344610569.db2.gz AZDPWDDJZAHAGN-UWVGGRQHSA-N 2 1 197.326 1.694 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@@H+](C)C[C@@H]1C 229670828 344610616 /nfs/dbraw/zinc/61/06/16/344610616.db2.gz SKIUGIKJDCHJKX-IUCAKERBSA-N 2 1 183.299 1.303 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@@H+](C)C[C@@H]1C 229670818 344610623 /nfs/dbraw/zinc/61/06/23/344610623.db2.gz SKIUGIKJDCHJKX-DTWKUNHWSA-N 2 1 183.299 1.303 10 0 ADAEMP CC[C@H]1CCC[C@]1(C[NH3+])[NH2+]C 229685316 344611754 /nfs/dbraw/zinc/61/17/54/344611754.db2.gz XVFNBDCQRLBIIK-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H]1CCC[C@@]1(C[NH3+])[NH2+]C 229685297 344611776 /nfs/dbraw/zinc/61/17/76/344611776.db2.gz XVFNBDCQRLBIIK-BDAKNGLRSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@H]1CCC[C@]1(C[NH3+])[NH2+]C 229685310 344611779 /nfs/dbraw/zinc/61/17/79/344611779.db2.gz XVFNBDCQRLBIIK-RKDXNWHRSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@H]1CCC[C@@]1(C[NH3+])[NH2+]C 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10 0 ADAEMP CC1CC(C[NH3+])([NH2+]C(C)C)C1 232648487 344686990 /nfs/dbraw/zinc/68/69/90/344686990.db2.gz AQXZVIKEGCCPQR-UHFFFAOYSA-N 2 1 156.273 1.112 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H]1[NH2+]CCC[C@@H]1C 232650947 344687132 /nfs/dbraw/zinc/68/71/32/344687132.db2.gz DNNBZBUANZXIDF-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1[NH2+]CCC[C@@H]1C 232650947 344687133 /nfs/dbraw/zinc/68/71/33/344687133.db2.gz DNNBZBUANZXIDF-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)c1c[nH+]cn1CC1([NH3+])CCC1 232759526 344689669 /nfs/dbraw/zinc/68/96/69/344689669.db2.gz OPWUKRDIHQBAFN-UHFFFAOYSA-N 2 1 193.294 1.888 10 0 ADAEMP CC1(C)CC[N@H+](C2(C[NH3+])CC2)C1 232786799 344690292 /nfs/dbraw/zinc/69/02/92/344690292.db2.gz IWNXCIRXLXNHQK-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C)CC[NH+](C2(C[NH3+])CC2)CC1 232786849 344690375 /nfs/dbraw/zinc/69/03/75/344690375.db2.gz BVEHIYCTWJNBNH-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC1(C)C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 232801146 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/nfs/dbraw/zinc/69/23/87/344692387.db2.gz DLZGUXORYKIBKV-CXQJBGSLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1CC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1 232811716 344692433 /nfs/dbraw/zinc/69/24/33/344692433.db2.gz DLZGUXORYKIBKV-MOENNCHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1CC([N@@H+](C)CC2CC[NH2+]CC2)C1 232811536 344692502 /nfs/dbraw/zinc/69/25/02/344692502.db2.gz RNPXHQGKAXGTLI-UHFFFAOYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1CC([N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)C1 232819954 344692666 /nfs/dbraw/zinc/69/26/66/344692666.db2.gz TZEUCUYTKOVSET-RGWUEKKESA-N 2 1 168.284 1.064 10 0 ADAEMP CC1CC([N@H+]2CC[C@H](C)[C@@H]([NH3+])C2)C1 232819536 344692704 /nfs/dbraw/zinc/69/27/04/344692704.db2.gz KRCCWURXSROZFG-YIYTYNFBSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1CC([N@H+]2CCC[C@H](CC[NH3+])C2)C1 232816791 344692802 /nfs/dbraw/zinc/69/28/02/344692802.db2.gz AGTDMYUEMGDQMD-MOENNCHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1CC([N@H+]2C[C@H](C)[C@@H]([NH3+])C2)C1 232820201 344692852 /nfs/dbraw/zinc/69/28/52/344692852.db2.gz TZEUCUYTKOVSET-LRHRNSLUSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1CC([N@H+]2CCC[C@@H](CC[NH3+])C2)C1 232816122 344692917 /nfs/dbraw/zinc/69/29/17/344692917.db2.gz AGTDMYUEMGDQMD-CXQJBGSLSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1CC[NH+](C2(C[NH3+])CC2)CC1 232819770 344692921 /nfs/dbraw/zinc/69/29/21/344692921.db2.gz JASAWEOGWYLZLN-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC1CC([N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)C1 232818956 344692948 /nfs/dbraw/zinc/69/29/48/344692948.db2.gz KRCCWURXSROZFG-DJRKXVOMSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCC1 232827308 344693554 /nfs/dbraw/zinc/69/35/54/344693554.db2.gz OZCTZOHZPQQTPM-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C[N@H+]2CC[C@@H]([NH3+])C2)CCC1 232827308 344693555 /nfs/dbraw/zinc/69/35/55/344693555.db2.gz OZCTZOHZPQQTPM-SECBINFHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C[N@@H+]2CC[C@H]([NH3+])C2)CCC1 232827906 344693585 /nfs/dbraw/zinc/69/35/85/344693585.db2.gz OZCTZOHZPQQTPM-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C[N@H+]2CC[C@H]([NH3+])C2)CCC1 232827906 344693587 /nfs/dbraw/zinc/69/35/87/344693587.db2.gz OZCTZOHZPQQTPM-VIFPVBQESA-N 2 1 168.284 1.210 10 0 ADAEMP CC1CC([N@@H+]2CCC[C@H]3C[NH2+]C[C@@H]32)C1 232863560 344695388 /nfs/dbraw/zinc/69/53/88/344695388.db2.gz AZSFOWGDMUJNLH-ADPBJBESSA-N 2 1 194.322 1.469 10 0 ADAEMP CC1CC([N@H+]2CCC[C@H]3C[NH2+]C[C@@H]32)C1 232863560 344695390 /nfs/dbraw/zinc/69/53/90/344695390.db2.gz AZSFOWGDMUJNLH-ADPBJBESSA-N 2 1 194.322 1.469 10 0 ADAEMP CC1CC([N@@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)C1 232863440 344695437 /nfs/dbraw/zinc/69/54/37/344695437.db2.gz AZSFOWGDMUJNLH-RSJDFQLWSA-N 2 1 194.322 1.469 10 0 ADAEMP CC1CC([N@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)C1 232863440 344695439 /nfs/dbraw/zinc/69/54/39/344695439.db2.gz AZSFOWGDMUJNLH-RSJDFQLWSA-N 2 1 194.322 1.469 10 0 ADAEMP CC1(C)C[C@@H]1C[N@H+]1CCCNCC1 232865266 344695639 /nfs/dbraw/zinc/69/56/39/344695639.db2.gz VPTLCANERPYLEY-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CC1(C)C[C@@H]1CN1CCC[NH2+]CC1 232865266 344695641 /nfs/dbraw/zinc/69/56/41/344695641.db2.gz VPTLCANERPYLEY-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CC1(C)C[C@@H]1C[N@H+]1CC[C@@H](N)C1 232865777 344695761 /nfs/dbraw/zinc/69/57/61/344695761.db2.gz GRFSECOBLSDPMF-RKDXNWHRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 232865777 344695764 /nfs/dbraw/zinc/69/57/64/344695764.db2.gz GRFSECOBLSDPMF-RKDXNWHRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CC1 232876311 344696095 /nfs/dbraw/zinc/69/60/95/344696095.db2.gz VDYXDFAGCBJPSH-SNVBAGLBSA-N 2 1 182.311 1.517 10 0 ADAEMP CC1([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 232875879 344696144 /nfs/dbraw/zinc/69/61/44/344696144.db2.gz DFXWWGSWBVXPHO-SNVBAGLBSA-N 2 1 196.338 1.907 10 0 ADAEMP CCC1(C[N@@H+]2CC[C@H]([NH3+])C2)CCC1 232955817 344697404 /nfs/dbraw/zinc/69/74/04/344697404.db2.gz AZWRLLYWHPWJBQ-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CCC1(C[N@H+]2CC[C@H]([NH3+])C2)CCC1 232955817 344697405 /nfs/dbraw/zinc/69/74/05/344697405.db2.gz AZWRLLYWHPWJBQ-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CCC1(C[N@@H+]2CC[C@@H]([NH3+])C2)CCC1 232952176 344697557 /nfs/dbraw/zinc/69/75/57/344697557.db2.gz AZWRLLYWHPWJBQ-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CCC1(C[N@H+]2CC[C@@H]([NH3+])C2)CCC1 232952176 344697559 /nfs/dbraw/zinc/69/75/59/344697559.db2.gz AZWRLLYWHPWJBQ-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232963224 344698077 /nfs/dbraw/zinc/69/80/77/344698077.db2.gz HTMOSHHXOXADSI-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 232980788 344698098 /nfs/dbraw/zinc/69/80/98/344698098.db2.gz DFXWWGSWBVXPHO-JTQLQIEISA-N 2 1 196.338 1.907 10 0 ADAEMP CCCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 232963795 344698211 /nfs/dbraw/zinc/69/82/11/344698211.db2.gz HTMOSHHXOXADSI-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CC1 232981063 344698258 /nfs/dbraw/zinc/69/82/58/344698258.db2.gz VDYXDFAGCBJPSH-JTQLQIEISA-N 2 1 182.311 1.517 10 0 ADAEMP CC1(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 233023517 344698748 /nfs/dbraw/zinc/69/87/48/344698748.db2.gz QCMZNGZNLJQGEU-SECBINFHSA-N 2 1 168.284 1.128 10 0 ADAEMP CC1(C[NH2+][C@H]2CC[NH2+]C2)CCC1 233030162 344699384 /nfs/dbraw/zinc/69/93/84/344699384.db2.gz QCMZNGZNLJQGEU-VIFPVBQESA-N 2 1 168.284 1.128 10 0 ADAEMP CCC[C@@H]1C[C@H]1[N@H+]1CC[NH2+][C@@H](C)CC1 233300486 344700145 /nfs/dbraw/zinc/70/01/45/344700145.db2.gz PCGAYBKRUSOOIZ-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 233301313 344700184 /nfs/dbraw/zinc/70/01/84/344700184.db2.gz DFDCXCPJZNDZCM-QCNOEVLYSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CC[NH2+][C@@H](C)CC1 233301269 344700217 /nfs/dbraw/zinc/70/02/17/344700217.db2.gz PCGAYBKRUSOOIZ-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CCC[NH2+][C@@H](C)C1 233301199 344700286 /nfs/dbraw/zinc/70/02/86/344700286.db2.gz MLVJMQZDSTYXNL-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 233421502 344701660 /nfs/dbraw/zinc/70/16/60/344701660.db2.gz JXKVCMQILYQCGW-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 233466519 344702174 /nfs/dbraw/zinc/70/21/74/344702174.db2.gz JXKVCMQILYQCGW-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[N@@H+](C1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 233445438 344702184 /nfs/dbraw/zinc/70/21/84/344702184.db2.gz OPRBCTKFOSAGBN-DHHPTOIESA-N 2 1 194.322 1.754 10 0 ADAEMP CCSCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 233828182 344704724 /nfs/dbraw/zinc/70/47/24/344704724.db2.gz DWYZUCUHNRXFCK-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP CCSCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 233828182 344704726 /nfs/dbraw/zinc/70/47/26/344704726.db2.gz DWYZUCUHNRXFCK-BDAKNGLRSA-N 2 1 188.340 1.019 10 0 ADAEMP CCSCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 233828856 344704804 /nfs/dbraw/zinc/70/48/04/344704804.db2.gz DWYZUCUHNRXFCK-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CCSCC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 233828856 344704806 /nfs/dbraw/zinc/70/48/06/344704806.db2.gz DWYZUCUHNRXFCK-IUCAKERBSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[C@@H]1CC[N@H+](C)[C@@H](C[NH3+])C1 233926759 344707173 /nfs/dbraw/zinc/70/71/73/344707173.db2.gz VBWUYHMJWRSMRN-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)[C@@H](C[NH3+])C1 233926759 344707174 /nfs/dbraw/zinc/70/71/74/344707174.db2.gz VBWUYHMJWRSMRN-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 233929812 344707593 /nfs/dbraw/zinc/70/75/93/344707593.db2.gz VWHDJZXWXQUVFO-ZDCRXTMVSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CCC[NH2+][C@@H](C)C1 233929404 344707686 /nfs/dbraw/zinc/70/76/86/344707686.db2.gz KWUDLVQYXCQWTA-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[NH2+]C[C@@H](C)C1 233929584 344707716 /nfs/dbraw/zinc/70/77/16/344707716.db2.gz DUKBWIYYCWRUIC-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CCC[NH2+]CC1 233929356 344707736 /nfs/dbraw/zinc/70/77/36/344707736.db2.gz JOJASZLXSFLPSM-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 233929462 344707791 /nfs/dbraw/zinc/70/77/91/344707791.db2.gz APMLQCNRHSNHID-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 233929462 344707793 /nfs/dbraw/zinc/70/77/93/344707793.db2.gz APMLQCNRHSNHID-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CC[NH2+]C[C@@H](C)C1 233934839 344708143 /nfs/dbraw/zinc/70/81/43/344708143.db2.gz DUKBWIYYCWRUIC-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+][C@@H](C)C1 233934719 344708157 /nfs/dbraw/zinc/70/81/57/344708157.db2.gz KWUDLVQYXCQWTA-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CC2)CC[C@@H]1[NH3+] 233937920 344708185 /nfs/dbraw/zinc/70/81/85/344708185.db2.gz LNOLTVJLCXQBKL-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+]CC1 233934684 344708234 /nfs/dbraw/zinc/70/82/34/344708234.db2.gz JOJASZLXSFLPSM-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CC[NH2+][C@@H](C)CC1 233934904 344708265 /nfs/dbraw/zinc/70/82/65/344708265.db2.gz XWNRHDYCGCYYGH-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)[C@@H](C[NH3+])C1 233949903 344708687 /nfs/dbraw/zinc/70/86/87/344708687.db2.gz QUKHWHADSZQXSD-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C2CC2)[C@@H](C[NH3+])C1 233949903 344708689 /nfs/dbraw/zinc/70/86/89/344708689.db2.gz QUKHWHADSZQXSD-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 234018701 344710297 /nfs/dbraw/zinc/71/02/97/344710297.db2.gz FLGJRKYGGOWYHY-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]1C[C@H]1[N@H+]1CCC[NH2+]CC1 234054821 344711045 /nfs/dbraw/zinc/71/10/45/344711045.db2.gz JOJASZLXSFLPSM-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H]1C[C@@H]1[N@H+]1CCC[NH2+]CC1 234062627 344711555 /nfs/dbraw/zinc/71/15/55/344711555.db2.gz JOJASZLXSFLPSM-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H]1CC[N@H+](C)[C@@H](C[NH3+])C1 234061986 344711662 /nfs/dbraw/zinc/71/16/62/344711662.db2.gz VBWUYHMJWRSMRN-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)[C@@H](C[NH3+])C1 234061986 344711665 /nfs/dbraw/zinc/71/16/65/344711665.db2.gz VBWUYHMJWRSMRN-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1C[N@H+](C2CC2)CC[C@@H]1[NH3+] 234109687 344712402 /nfs/dbraw/zinc/71/24/02/344712402.db2.gz LNOLTVJLCXQBKL-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C1CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2 234251574 344715824 /nfs/dbraw/zinc/71/58/24/344715824.db2.gz VWTUAWFAKXPKHF-SLHIUPAKSA-N 2 1 180.295 1.364 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2(C)CC2)[C@@H](C)C1 234449154 344720857 /nfs/dbraw/zinc/72/08/57/344720857.db2.gz LPXLMKAJQBBPJZ-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1C 234449110 344721010 /nfs/dbraw/zinc/72/10/10/344721010.db2.gz CTGVOUZVXPJGCZ-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CC(C)(C)C[C@@H]1C 234454326 344721181 /nfs/dbraw/zinc/72/11/81/344721181.db2.gz JWPAOLASNDMOIG-WCBMZHEXSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC2(C)C)C1 234454258 344721268 /nfs/dbraw/zinc/72/12/68/344721268.db2.gz IRMAOKBHADOIQS-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC2(C)C)C1 234454258 344721270 /nfs/dbraw/zinc/72/12/70/344721270.db2.gz IRMAOKBHADOIQS-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CC(C)(C)C[C@H]1C 234454356 344721441 /nfs/dbraw/zinc/72/14/41/344721441.db2.gz JWPAOLASNDMOIG-PSASIEDQSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1C 234511095 344722130 /nfs/dbraw/zinc/72/21/30/344722130.db2.gz CTGVOUZVXPJGCZ-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2(C)CC2)[C@@H](C)C1 234511132 344722165 /nfs/dbraw/zinc/72/21/65/344722165.db2.gz LPXLMKAJQBBPJZ-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC(C)(C)C[C@@H]1C 234516638 344722191 /nfs/dbraw/zinc/72/21/91/344722191.db2.gz JWPAOLASNDMOIG-WPRPVWTQSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC(C)(C)C[C@H]1C 234516669 344722366 /nfs/dbraw/zinc/72/23/66/344722366.db2.gz JWPAOLASNDMOIG-SCZZXKLOSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C[C@@H]2CC2(C)C)C1 234514961 344722451 /nfs/dbraw/zinc/72/24/51/344722451.db2.gz IRMAOKBHADOIQS-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CC2(C)C)C1 234514961 344722454 /nfs/dbraw/zinc/72/24/54/344722454.db2.gz IRMAOKBHADOIQS-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC=CCC1 235098998 344732913 /nfs/dbraw/zinc/73/29/13/344732913.db2.gz WQXCXLNKCQLWKL-DTWKUNHWSA-N 2 1 154.257 1.032 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C1CC1 235157275 344734564 /nfs/dbraw/zinc/73/45/64/344734564.db2.gz YEOXGZQESPWYES-PSASIEDQSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C2CC2)C1 235167718 344734940 /nfs/dbraw/zinc/73/49/40/344734940.db2.gz XMZKWCUZOWHRAW-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C2CC2)C1 235167939 344735070 /nfs/dbraw/zinc/73/50/70/344735070.db2.gz XMZKWCUZOWHRAW-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1C1CC1 235264524 344738942 /nfs/dbraw/zinc/73/89/42/344738942.db2.gz ZASVNSWPUPMVHV-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1(C)CC1 235290612 344741292 /nfs/dbraw/zinc/74/12/92/344741292.db2.gz QUDSQTFMQJAQBW-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CC1 235293565 344741331 /nfs/dbraw/zinc/74/13/31/344741331.db2.gz ZASVNSWPUPMVHV-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[N@H+](C)C1CCC1 235301845 344742158 /nfs/dbraw/zinc/74/21/58/344742158.db2.gz PNCVDVWKHWPWMQ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[N@@H+](C)C1CCC1 235301845 344742161 /nfs/dbraw/zinc/74/21/61/344742161.db2.gz PNCVDVWKHWPWMQ-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@H]1C[NH2+]C1(C)CC1 235312314 344742783 /nfs/dbraw/zinc/74/27/83/344742783.db2.gz IHCGGQPHCVZYCI-ZJUUUORDSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[N@H+](C)C1CCC1 235316951 344742901 /nfs/dbraw/zinc/74/29/01/344742901.db2.gz PNCVDVWKHWPWMQ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[N@@H+](C)C1CCC1 235316951 344742905 /nfs/dbraw/zinc/74/29/05/344742905.db2.gz PNCVDVWKHWPWMQ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 235325889 344743410 /nfs/dbraw/zinc/74/34/10/344743410.db2.gz CGVQLJMPXZFUJB-WEDXCCLWSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1CCC[NH2+][C@@H]1C[NH2+]C1(C)CC1 235323935 344743418 /nfs/dbraw/zinc/74/34/18/344743418.db2.gz IHCGGQPHCVZYCI-NXEZZACHSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCC2)C[C@@H]1[NH3+] 235332411 344743674 /nfs/dbraw/zinc/74/36/74/344743674.db2.gz UJYWCHJRJWQQSF-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H](Cc2[nH+]ccn2C)C1 235343119 344744456 /nfs/dbraw/zinc/74/44/56/344744456.db2.gz AGHXHSCQWCOPRT-UWVGGRQHSA-N 2 1 193.294 1.208 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H](Cc2[nH+]ccn2C)C1 235334695 344744462 /nfs/dbraw/zinc/74/44/62/344744462.db2.gz AGHXHSCQWCOPRT-VHSXEESVSA-N 2 1 193.294 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC2)C[C@@H]1C[NH3+] 235353146 344745582 /nfs/dbraw/zinc/74/55/82/344745582.db2.gz IHNHACJUUOPBTE-BDAKNGLRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)=CC[N@@H+]1CCC[NH2+][C@H](C)C1 235357904 344745641 /nfs/dbraw/zinc/74/56/41/344745641.db2.gz UBNKOXMKKJSXNU-LLVKDONJSA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)=CC[N@H+]1CCC[NH2+][C@H](C)C1 235357904 344745642 /nfs/dbraw/zinc/74/56/42/344745642.db2.gz UBNKOXMKKJSXNU-LLVKDONJSA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1[NH3+] 235356039 344745717 /nfs/dbraw/zinc/74/57/17/344745717.db2.gz RNMZRCMRGDEUIE-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC2)[C@@H](C[NH3+])C1 235353192 344745754 /nfs/dbraw/zinc/74/57/54/344745754.db2.gz SHUHWOVOBVVVTB-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@@H+](C2CC2)[C@@H](C[NH3+])C1 235353192 344745755 /nfs/dbraw/zinc/74/57/55/344745755.db2.gz SHUHWOVOBVVVTB-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1[NH3+] 235355916 344745831 /nfs/dbraw/zinc/74/58/31/344745831.db2.gz XJYRTBKXYDPYQL-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@@H]1[NH3+] 235354625 344745873 /nfs/dbraw/zinc/74/58/73/344745873.db2.gz CGVQLJMPXZFUJB-MRTMQBJTSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@@H]1[NH3+] 235364022 344746237 /nfs/dbraw/zinc/74/62/37/344746237.db2.gz SIWCACPUPHOQRI-MXWKQRLJSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@@H]1[NH3+] 235364022 344746232 /nfs/dbraw/zinc/74/62/32/344746232.db2.gz SIWCACPUPHOQRI-MXWKQRLJSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2(C)CC2)CCC[NH2+]1 235363128 344746482 /nfs/dbraw/zinc/74/64/82/344746482.db2.gz OYTDUOVTTONRJL-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1C[C@H](c2[nH+]ccn2C)CC[NH2+]1 235368557 344746747 /nfs/dbraw/zinc/74/67/47/344746747.db2.gz WCEQRCXDBGFJCZ-RKDXNWHRSA-N 2 1 179.267 1.276 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[NH2+][C@H](C)C1 235372292 344746902 /nfs/dbraw/zinc/74/69/02/344746902.db2.gz PAEAXGUGJCICCN-PSASIEDQSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@@H]1C[C@@H](c2[nH+]ccn2C)CC[NH2+]1 235399034 344747855 /nfs/dbraw/zinc/74/78/55/344747855.db2.gz WCEQRCXDBGFJCZ-BDAKNGLRSA-N 2 1 179.267 1.276 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1(C)CC1 235394446 344747899 /nfs/dbraw/zinc/74/78/99/344747899.db2.gz QUDSQTFMQJAQBW-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@H+](C2(C[NH3+])CC2)C1 235396431 344748017 /nfs/dbraw/zinc/74/80/17/344748017.db2.gz STSMMRSERILHMG-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+][C@H](C)C1 235401640 344748470 /nfs/dbraw/zinc/74/84/70/344748470.db2.gz PAEAXGUGJCICCN-SCZZXKLOSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@@]1(C[NH3+])CC[N@H+](C2CCCC2)C1 235438146 344750028 /nfs/dbraw/zinc/75/00/28/344750028.db2.gz COBWAQHHHUFBBH-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])[NH2+][C@H]1CC=CCC1 235460012 344750601 /nfs/dbraw/zinc/75/06/01/344750601.db2.gz WQXCXLNKCQLWKL-BDAKNGLRSA-N 2 1 154.257 1.032 10 0 ADAEMP C[C@H](C[NH3+])[NH2+][C@@H]1CC=CCC1 235463154 344750793 /nfs/dbraw/zinc/75/07/93/344750793.db2.gz WQXCXLNKCQLWKL-RKDXNWHRSA-N 2 1 154.257 1.032 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C1CC1 235486963 344751629 /nfs/dbraw/zinc/75/16/29/344751629.db2.gz YEOXGZQESPWYES-WPRPVWTQSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C1CC1 235488845 344751715 /nfs/dbraw/zinc/75/17/15/344751715.db2.gz YEOXGZQESPWYES-WCBMZHEXSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C2CC2)C1 235498473 344752069 /nfs/dbraw/zinc/75/20/69/344752069.db2.gz XMZKWCUZOWHRAW-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CCC[N@H+](C2CC2)C1 235498715 344752238 /nfs/dbraw/zinc/75/22/38/344752238.db2.gz XMZKWCUZOWHRAW-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[N@H+](C)C1CCC1 235543949 344753710 /nfs/dbraw/zinc/75/37/10/344753710.db2.gz PNCVDVWKHWPWMQ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[N@@H+](C)C1CCC1 235543949 344753712 /nfs/dbraw/zinc/75/37/12/344753712.db2.gz PNCVDVWKHWPWMQ-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CCC[NH2+][C@@H]1C[NH2+]C1(C)CC1 235549124 344754157 /nfs/dbraw/zinc/75/41/57/344754157.db2.gz IHCGGQPHCVZYCI-VHSXEESVSA-N 2 1 182.311 1.517 10 0 ADAEMP CC(C)=CC[N@H+]1CC[NH2+]CC[C@@H]1C 235567570 344755828 /nfs/dbraw/zinc/75/58/28/344755828.db2.gz GCTJTOOCMNPADE-NSHDSACASA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[NH2+]CC[C@@H]1C 235567570 344755831 /nfs/dbraw/zinc/75/58/31/344755831.db2.gz GCTJTOOCMNPADE-NSHDSACASA-N 2 1 182.311 1.636 10 0 ADAEMP CC(C)=CC[N@@H+]1CCC[NH2+][C@@H](C)C1 235579948 344757056 /nfs/dbraw/zinc/75/70/56/344757056.db2.gz UBNKOXMKKJSXNU-NSHDSACASA-N 2 1 182.311 1.636 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1(C)CC1 235579466 344756997 /nfs/dbraw/zinc/75/69/97/344756997.db2.gz QUDSQTFMQJAQBW-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[N@H+](C)C1CCC1 235588260 344757941 /nfs/dbraw/zinc/75/79/41/344757941.db2.gz PNCVDVWKHWPWMQ-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1C1CC1 235597258 344758318 /nfs/dbraw/zinc/75/83/18/344758318.db2.gz ZASVNSWPUPMVHV-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[NH2+]C1(C)CC1 235594273 344758561 /nfs/dbraw/zinc/75/85/61/344758561.db2.gz IHCGGQPHCVZYCI-UWVGGRQHSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1C1CC1 235607419 344759377 /nfs/dbraw/zinc/75/93/77/344759377.db2.gz ZASVNSWPUPMVHV-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)[C@@H](C[NH3+])C1 235623467 344760059 /nfs/dbraw/zinc/76/00/59/344760059.db2.gz SHUHWOVOBVVVTB-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@@H+](C2CC2)[C@@H](C[NH3+])C1 235623467 344760062 /nfs/dbraw/zinc/76/00/62/344760062.db2.gz SHUHWOVOBVVVTB-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)C[C@@H]1C[NH3+] 235623424 344760091 /nfs/dbraw/zinc/76/00/91/344760091.db2.gz IHNHACJUUOPBTE-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2(C)CC2)CCC[NH2+]1 235633720 344760597 /nfs/dbraw/zinc/76/05/97/344760597.db2.gz OYTDUOVTTONRJL-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1C[N@@H+](C2(C[NH3+])CC2)C[C@@H]1C 235638235 344761169 /nfs/dbraw/zinc/76/11/69/344761169.db2.gz SDWKSTUAHFMHEQ-DTORHVGOSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCC2)C[C@@H]1[NH3+] 235639716 344761392 /nfs/dbraw/zinc/76/13/92/344761392.db2.gz UJYWCHJRJWQQSF-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@@H]1[NH3+] 235664170 344762166 /nfs/dbraw/zinc/76/21/66/344762166.db2.gz MOGLZXNTTHABGM-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[NH2+][C@@H](C)C1 235667817 344762176 /nfs/dbraw/zinc/76/21/76/344762176.db2.gz PAEAXGUGJCICCN-WCBMZHEXSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@H]1C[C@H](C)[N@H+](C2(C[NH3+])CC2)C1 235667584 344762234 /nfs/dbraw/zinc/76/22/34/344762234.db2.gz STSMMRSERILHMG-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCCC2)C[C@@H]1[NH3+] 235669236 344762247 /nfs/dbraw/zinc/76/22/47/344762247.db2.gz RNMZRCMRGDEUIE-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1[NH3+] 235675610 344762928 /nfs/dbraw/zinc/76/29/28/344762928.db2.gz ANUIIYMVUBAMCJ-WPRPVWTQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1(C)CC1 235683144 344762938 /nfs/dbraw/zinc/76/29/38/344762938.db2.gz QUDSQTFMQJAQBW-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@H](c2[nH+]ccn2C)CC[NH2+]1 235707000 344763925 /nfs/dbraw/zinc/76/39/25/344763925.db2.gz WCEQRCXDBGFJCZ-IUCAKERBSA-N 2 1 179.267 1.276 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](Cc2[nH+]ccn2C)C1 235708408 344763932 /nfs/dbraw/zinc/76/39/32/344763932.db2.gz AGHXHSCQWCOPRT-NXEZZACHSA-N 2 1 193.294 1.208 10 0 ADAEMP C[C@]1(C[NH3+])CC[N@H+](C2CCCC2)C1 235706574 344763939 /nfs/dbraw/zinc/76/39/39/344763939.db2.gz COBWAQHHHUFBBH-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+][C@@H](C)C1 235709727 344764022 /nfs/dbraw/zinc/76/40/22/344764022.db2.gz PAEAXGUGJCICCN-WPRPVWTQSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H](Cc2[nH+]ccn2C)C1 235717226 344764388 /nfs/dbraw/zinc/76/43/88/344764388.db2.gz AGHXHSCQWCOPRT-ZJUUUORDSA-N 2 1 193.294 1.208 10 0 ADAEMP Cc1c[nH+]cn1CC1([NH3+])CCC1 235799436 344767151 /nfs/dbraw/zinc/76/71/51/344767151.db2.gz WZBQKOKNXGWTLK-UHFFFAOYSA-N 2 1 165.240 1.073 10 0 ADAEMP F[C@H]([C@@H]1CCCC[NH2+]1)[C@@H]1CCC[NH2+]1 236167568 344776292 /nfs/dbraw/zinc/77/62/92/344776292.db2.gz WCWXXYHQXPVBOB-LPEHRKFASA-N 2 1 186.274 1.219 10 0 ADAEMP F[C@H]([C@@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 236168355 344776449 /nfs/dbraw/zinc/77/64/49/344776449.db2.gz WCWXXYHQXPVBOB-IVZWLZJFSA-N 2 1 186.274 1.219 10 0 ADAEMP [NH3+]C[C@@H](C1CCCC1)[NH+]1CC2(CC2)C1 236180932 344776724 /nfs/dbraw/zinc/77/67/24/344776724.db2.gz YNOSDDMCTFLPFM-NSHDSACASA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@H](C1CCCC1)[NH+]1CC2(CC2)C1 236202116 344777557 /nfs/dbraw/zinc/77/75/57/344777557.db2.gz YNOSDDMCTFLPFM-LLVKDONJSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCCC2)CC1 236226293 344778131 /nfs/dbraw/zinc/77/81/31/344778131.db2.gz GTMVFDWVAFHLON-UHFFFAOYSA-N 2 1 154.257 1.010 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C3CC3)C[C@H]12 236293359 344779906 /nfs/dbraw/zinc/77/99/06/344779906.db2.gz BEMIAIGJYONDBR-INTQDDNPSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](CC2(C3CC3)CC2)C1 236299444 344780085 /nfs/dbraw/zinc/78/00/85/344780085.db2.gz NGGWNLFNBUOVKI-SNVBAGLBSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236299444 344780087 /nfs/dbraw/zinc/78/00/87/344780087.db2.gz NGGWNLFNBUOVKI-SNVBAGLBSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C3CC3)C[C@@H]21 236306171 344780345 /nfs/dbraw/zinc/78/03/45/344780345.db2.gz BEMIAIGJYONDBR-DVVUODLYSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](CC2(C3CC3)CC2)C1 236334582 344781988 /nfs/dbraw/zinc/78/19/88/344781988.db2.gz NGGWNLFNBUOVKI-JTQLQIEISA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](CC2(C3CC3)CC2)C1 236334582 344781989 /nfs/dbraw/zinc/78/19/89/344781989.db2.gz NGGWNLFNBUOVKI-JTQLQIEISA-N 2 1 180.295 1.210 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[C@H]1C[NH3+] 250521159 344835953 /nfs/dbraw/zinc/83/59/53/344835953.db2.gz SREGHSRENNUKQN-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)(C[NH3+])[NH+]1CCC2(CC1)CC2 238105188 344793068 /nfs/dbraw/zinc/79/30/68/344793068.db2.gz CXBYPDSRGRPEIJ-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 in-vitro ADAEMP CC(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238153442 344794109 /nfs/dbraw/zinc/79/41/09/344794109.db2.gz WYUAHOLALRZJFC-JGPRNRPPSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)C[N@H+]1[C@H]2CC[C@@H]1C[C@@H]([NH3+])C2 238153420 344794143 /nfs/dbraw/zinc/79/41/43/344794143.db2.gz WYUAHOLALRZJFC-RTCCRHLQSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 238197149 344795253 /nfs/dbraw/zinc/79/52/53/344795253.db2.gz JZFAZNBGROITDH-QWRGUYRKSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 238198060 344795338 /nfs/dbraw/zinc/79/53/38/344795338.db2.gz JZFAZNBGROITDH-WDEREUQCSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CCC[C@@](C)(C[NH3+])C1 238233424 344796520 /nfs/dbraw/zinc/79/65/20/344796520.db2.gz PKNUNTQZAXDJNM-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CC[N@H+]1CCC[C@](C)(C[NH3+])C1 238237161 344796688 /nfs/dbraw/zinc/79/66/88/344796688.db2.gz PKNUNTQZAXDJNM-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 238270855 344797992 /nfs/dbraw/zinc/79/79/92/344797992.db2.gz MAHASBWTUUUGBN-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 238268833 344798049 /nfs/dbraw/zinc/79/80/49/344798049.db2.gz MAHASBWTUUUGBN-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238267914 344798094 /nfs/dbraw/zinc/79/80/94/344798094.db2.gz HJGFNWDZIATXJF-AXFHLTTASA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 238267914 344798096 /nfs/dbraw/zinc/79/80/96/344798096.db2.gz HJGFNWDZIATXJF-AXFHLTTASA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 251296757 344851464 /nfs/dbraw/zinc/85/14/64/344851464.db2.gz SNJNRLIZUFHXDJ-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CC2CCC1CC2 238423028 344805974 /nfs/dbraw/zinc/80/59/74/344805974.db2.gz VZDLQNUJDGTUTH-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC2CCC1CC2 238423028 344805975 /nfs/dbraw/zinc/80/59/75/344805975.db2.gz VZDLQNUJDGTUTH-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CC2CCC1CC2 238421582 344806014 /nfs/dbraw/zinc/80/60/14/344806014.db2.gz VZDLQNUJDGTUTH-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC2CCC1CC2 238421582 344806017 /nfs/dbraw/zinc/80/60/17/344806017.db2.gz VZDLQNUJDGTUTH-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([C@H]1CCCC[NH2+]1)[NH+]1CCCC1 238436161 344806673 /nfs/dbraw/zinc/80/66/73/344806673.db2.gz JRARACLKJKEGAR-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP NCC[NH+]1C2CCCC1CCC2 238581696 344814311 /nfs/dbraw/zinc/81/43/11/344814311.db2.gz NLPAPPOMBICLTC-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 248248035 344827445 /nfs/dbraw/zinc/82/74/45/344827445.db2.gz RDFZQELNNXFWNG-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CCc2cccc3c2[C@@H]1C[C@H]3[NH3+] 248027483 344827482 /nfs/dbraw/zinc/82/74/82/344827482.db2.gz MOWNEHUHHXNLML-MNOVXSKESA-N 2 1 188.274 1.619 10 0 ADAEMP C[N@H+]1CCc2cccc3c2[C@H]1C[C@H]3[NH3+] 248027481 344827590 /nfs/dbraw/zinc/82/75/90/344827590.db2.gz MOWNEHUHHXNLML-GHMZBOCLSA-N 2 1 188.274 1.619 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]C1 249878693 344827785 /nfs/dbraw/zinc/82/77/85/344827785.db2.gz FGDLRTHVXLDYSW-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+](C)[C@]1(C[NH3+])CS[C@H](C)C1 249884150 344827822 /nfs/dbraw/zinc/82/78/22/344827822.db2.gz BNXPUASRBBRSDE-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[N@@H+](C)[C@]1(C[NH3+])CS[C@H](C)C1 249884150 344827823 /nfs/dbraw/zinc/82/78/23/344827823.db2.gz BNXPUASRBBRSDE-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 249883240 344827862 /nfs/dbraw/zinc/82/78/62/344827862.db2.gz OKVADJNEGRBIQH-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+](C)[C@@]1(C[NH3+])CS[C@H](C)C1 249884145 344827909 /nfs/dbraw/zinc/82/79/09/344827909.db2.gz BNXPUASRBBRSDE-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 249883246 344828026 /nfs/dbraw/zinc/82/80/26/344828026.db2.gz OKVADJNEGRBIQH-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 249883252 344828137 /nfs/dbraw/zinc/82/81/37/344828137.db2.gz OKVADJNEGRBIQH-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 249878694 344828153 /nfs/dbraw/zinc/82/81/53/344828153.db2.gz FGDLRTHVXLDYSW-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCC(C)(C)[C@H]1[NH3+] 249909827 344828315 /nfs/dbraw/zinc/82/83/15/344828315.db2.gz IGYPNWLPLSLDAE-QWRGUYRKSA-N 2 1 196.338 1.987 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 249960090 344828475 /nfs/dbraw/zinc/82/84/75/344828475.db2.gz JNTAYYOVWXSKOM-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 249901583 344828514 /nfs/dbraw/zinc/82/85/14/344828514.db2.gz WMVAMALNRUJYQB-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[NH2+]C[C@H]1C 249918771 344828537 /nfs/dbraw/zinc/82/85/37/344828537.db2.gz KPZBXPGXDUWNLU-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+](C)[C@@H]1CCC[C@H]1[NH2+]C 249919779 344828629 /nfs/dbraw/zinc/82/86/29/344828629.db2.gz KVYMDZSFOAJTJV-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC[C@H]1[NH2+]C 249919779 344828632 /nfs/dbraw/zinc/82/86/32/344828632.db2.gz KVYMDZSFOAJTJV-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@H+](C(C)C)[C@@H]1CNCC[C@H]1C 249987538 344828660 /nfs/dbraw/zinc/82/86/60/344828660.db2.gz MLBZLODFCJVFMA-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 249960088 344828672 /nfs/dbraw/zinc/82/86/72/344828672.db2.gz JNTAYYOVWXSKOM-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CCC(C)(C)[C@H]1[NH3+] 249909825 344828691 /nfs/dbraw/zinc/82/86/91/344828691.db2.gz IGYPNWLPLSLDAE-MNOVXSKESA-N 2 1 196.338 1.987 10 0 ADAEMP CC[N@H+](C(C)C)[C@H]1CNCC[C@H]1C 249987541 344828727 /nfs/dbraw/zinc/82/87/27/344828727.db2.gz MLBZLODFCJVFMA-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CC[NH2+]C[C@H]1C 249918774 344828736 /nfs/dbraw/zinc/82/87/36/344828736.db2.gz KPZBXPGXDUWNLU-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@H+](C)[C@H]1CCC[C@H]1[NH2+]C 249919778 344828745 /nfs/dbraw/zinc/82/87/45/344828745.db2.gz KVYMDZSFOAJTJV-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@H]1[NH2+]C 249919778 344828746 /nfs/dbraw/zinc/82/87/46/344828746.db2.gz KVYMDZSFOAJTJV-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[N@H+](C)[C@@H]1CCCC[C@H]1[NH2+]C 249997756 344829128 /nfs/dbraw/zinc/82/91/28/344829128.db2.gz OFSIVLHRXUJIBO-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCCC[C@H]1[NH2+]C 249997756 344829129 /nfs/dbraw/zinc/82/91/29/344829129.db2.gz OFSIVLHRXUJIBO-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+](C)[C@H]1CCCC[C@H]1[NH2+]C 249997759 344829269 /nfs/dbraw/zinc/82/92/69/344829269.db2.gz OFSIVLHRXUJIBO-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCCC[C@H]1[NH2+]C 249997759 344829270 /nfs/dbraw/zinc/82/92/70/344829270.db2.gz OFSIVLHRXUJIBO-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC(C)(C)[C@H]1[NH3+] 250058619 344829303 /nfs/dbraw/zinc/82/93/03/344829303.db2.gz OMFQWZHQCOJUCC-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 250019931 344829346 /nfs/dbraw/zinc/82/93/46/344829346.db2.gz QYKVHFKLZHZKQO-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 250063116 344829462 /nfs/dbraw/zinc/82/94/62/344829462.db2.gz XWZYJEIFYCWTAE-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 250019938 344829526 /nfs/dbraw/zinc/82/95/26/344829526.db2.gz QYKVHFKLZHZKQO-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC(C)(C)[C@H]1[NH3+] 250058622 344829533 /nfs/dbraw/zinc/82/95/33/344829533.db2.gz OMFQWZHQCOJUCC-IUCAKERBSA-N 2 1 170.300 1.454 10 0 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CC[N@@H+](C)[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C 250097937 344830128 /nfs/dbraw/zinc/83/01/28/344830128.db2.gz YIOHOIOVVKUYGP-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCC(C)(C)[C@H]1[NH3+] 250087900 344830177 /nfs/dbraw/zinc/83/01/77/344830177.db2.gz WAXBHAWSLPLSEC-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 250212862 344830640 /nfs/dbraw/zinc/83/06/40/344830640.db2.gz CULUXEMAMNOREK-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[N@H+]1CCCC[C@@H]1C[C@H](C)[NH3+] 250267483 344831633 /nfs/dbraw/zinc/83/16/33/344831633.db2.gz KQXSARUBYWMAPH-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCCCC[C@H]1C[NH3+] 250361298 344832032 /nfs/dbraw/zinc/83/20/32/344832032.db2.gz DRCXNAONTCWKSF-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1C[C@@H]1[C@H](C)[NH3+] 250355715 344832175 /nfs/dbraw/zinc/83/21/75/344832175.db2.gz ZGRSFJAIZIIDCI-DJLDLDEBSA-N 2 1 179.267 1.354 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1[NH3+] 250352412 344832296 /nfs/dbraw/zinc/83/22/96/344832296.db2.gz AVRXTXXXPHJLHM-NXEZZACHSA-N 2 1 168.284 1.351 10 0 ADAEMP C[N@@H+](C[C@H]1CCCCC[C@H]1[NH3+])C1CC1 250368511 344832589 /nfs/dbraw/zinc/83/25/89/344832589.db2.gz GPUVRPVHPAWLRE-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CCC[C@H]1C[NH3+] 250408559 344833116 /nfs/dbraw/zinc/83/31/16/344833116.db2.gz NKXMWVZIQURZDB-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+](C1CCCC1)[C@H]1CC[C@H]1C[NH3+] 250407437 344833131 /nfs/dbraw/zinc/83/31/31/344833131.db2.gz NGJJRQNTYFQUBE-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC[C@H]1C[NH3+] 250378908 344833142 /nfs/dbraw/zinc/83/31/42/344833142.db2.gz IUZNJUSOBCVBJT-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 250383578 344833168 /nfs/dbraw/zinc/83/31/68/344833168.db2.gz XFNPKFKICDZHEC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CCC[C@H]1C[NH3+] 250408564 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PTKVJERZEHABLS-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([C@H]2CC[NH2+]C2)C1 250483749 344834342 /nfs/dbraw/zinc/83/43/42/344834342.db2.gz DEXPAGMIXSUJCX-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 250480939 344834365 /nfs/dbraw/zinc/83/43/65/344834365.db2.gz CGGIZYBXBWCPQE-NXEZZACHSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1C[NH3+] 250511978 344835066 /nfs/dbraw/zinc/83/50/66/344835066.db2.gz PBADDIXPGQOSCE-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@]1(C)CCC[C@H]1[NH3+] 250506404 344835090 /nfs/dbraw/zinc/83/50/90/344835090.db2.gz NIDDYOPRRSRUBO-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)C[C@]1(C)CCC[C@H]1[NH3+] 250506409 344835248 /nfs/dbraw/zinc/83/52/48/344835248.db2.gz NIDDYOPRRSRUBO-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1C[NH3+] 250511981 344835315 /nfs/dbraw/zinc/83/53/15/344835315.db2.gz PBADDIXPGQOSCE-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 250527033 344835728 /nfs/dbraw/zinc/83/57/28/344835728.db2.gz PPYYVMIOJJJMBQ-ZJUUUORDSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(=[NH2+])N[C@H]1CC[N@H+]2CCC[C@H]2C1 250527026 344835831 /nfs/dbraw/zinc/83/58/31/344835831.db2.gz PPYYVMIOJJJMBQ-UWVGGRQHSA-N 2 1 181.283 1.200 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[C@H]1C[NH3+] 250521155 344835877 /nfs/dbraw/zinc/83/58/77/344835877.db2.gz SREGHSRENNUKQN-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 250532887 344835897 /nfs/dbraw/zinc/83/58/97/344835897.db2.gz XRZOARASXXZSEJ-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccco1 250566227 344836249 /nfs/dbraw/zinc/83/62/49/344836249.db2.gz DGWQVDLXYVSFCG-WPRPVWTQSA-N 2 1 180.251 1.231 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccccn1 250562330 344836291 /nfs/dbraw/zinc/83/62/91/344836291.db2.gz CRPSERPEOGWNRW-ONGXEEELSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 250577585 344836343 /nfs/dbraw/zinc/83/63/43/344836343.db2.gz FOLUXDLUCAXXDV-BQBZGAKWSA-N 2 1 196.216 1.075 10 0 ADAEMP C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 250577585 344836346 /nfs/dbraw/zinc/83/63/46/344836346.db2.gz FOLUXDLUCAXXDV-BQBZGAKWSA-N 2 1 196.216 1.075 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 250544710 344836437 /nfs/dbraw/zinc/83/64/37/344836437.db2.gz DFULEXPIQPFMLU-QWRGUYRKSA-N 2 1 182.311 1.326 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccccn1 250562327 344836519 /nfs/dbraw/zinc/83/65/19/344836519.db2.gz CRPSERPEOGWNRW-KOLCDFICSA-N 2 1 191.278 1.033 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H]([NH3+])C1CCCC1 250574152 344836552 /nfs/dbraw/zinc/83/65/52/344836552.db2.gz FFZREMAYOZHTEC-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])c2cccs2)C1 250608044 344836769 /nfs/dbraw/zinc/83/67/69/344836769.db2.gz LWAGOAIBMVURJC-WCBMZHEXSA-N 2 1 196.319 1.700 10 0 ADAEMP 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CC[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C 250597560 344837068 /nfs/dbraw/zinc/83/70/68/344837068.db2.gz DIGXQUUNGYRLKM-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C(C)C)C[C@H]1C 250597562 344837118 /nfs/dbraw/zinc/83/71/18/344837118.db2.gz DIGXQUUNGYRLKM-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 250599162 344837132 /nfs/dbraw/zinc/83/71/32/344837132.db2.gz JNYCBCGVMYGERE-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2cccs2)C1 250608043 344837140 /nfs/dbraw/zinc/83/71/40/344837140.db2.gz LWAGOAIBMVURJC-PSASIEDQSA-N 2 1 196.319 1.700 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@@H]([NH3+])C1CC1 250607177 344837155 /nfs/dbraw/zinc/83/71/55/344837155.db2.gz LOZJQTCYFBXWNA-ZJUUUORDSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H]1C 250607297 344837187 /nfs/dbraw/zinc/83/71/87/344837187.db2.gz GQFQKDYRXBQSJV-WRWGMCAJSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CCC2)C[C@H]1C 250616748 344837386 /nfs/dbraw/zinc/83/73/86/344837386.db2.gz ISBTWGPVZMGAFU-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CCC2)C[C@H]1C 250616747 344837414 /nfs/dbraw/zinc/83/74/14/344837414.db2.gz ISBTWGPVZMGAFU-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@@H](C)C[C@H]1C 250618547 344837425 /nfs/dbraw/zinc/83/74/25/344837425.db2.gz JCMQALLHLQSCQV-MXWKQRLJSA-N 2 1 184.327 1.750 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)CC1 250629640 344837447 /nfs/dbraw/zinc/83/74/47/344837447.db2.gz QVSGEDJUJZBZGO-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccsc1 250616661 344837460 /nfs/dbraw/zinc/83/74/60/344837460.db2.gz OCDUDSKZBJEUFP-WPRPVWTQSA-N 2 1 196.319 1.700 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)CC1 250629637 344837509 /nfs/dbraw/zinc/83/75/09/344837509.db2.gz QVSGEDJUJZBZGO-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccsc1 250616659 344837584 /nfs/dbraw/zinc/83/75/84/344837584.db2.gz OCDUDSKZBJEUFP-SCZZXKLOSA-N 2 1 196.319 1.700 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CC[C@H](C)C[C@H]1C 250618545 344837684 /nfs/dbraw/zinc/83/76/84/344837684.db2.gz JCMQALLHLQSCQV-AXFHLTTASA-N 2 1 184.327 1.750 10 0 ADAEMP C[N@H+]1CCC[C@@H]1[C@@H]([NH3+])C1CCC1 250644239 344837896 /nfs/dbraw/zinc/83/78/96/344837896.db2.gz UTRZIOGYTFXDTL-ZJUUUORDSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@H]1[NH+](C)C 250632098 344837961 /nfs/dbraw/zinc/83/79/61/344837961.db2.gz LOIFQIRCPUDZJQ-WRWGMCAJSA-N 2 1 198.354 1.961 10 0 ADAEMP C[N@H+]1CCC[C@H]1[C@@H]([NH3+])C1CCC1 250644237 344837974 /nfs/dbraw/zinc/83/79/74/344837974.db2.gz UTRZIOGYTFXDTL-UWVGGRQHSA-N 2 1 168.284 1.208 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 250638289 344838032 /nfs/dbraw/zinc/83/80/32/344838032.db2.gz GKGPNEKFUGAVNU-JGLYPNHGSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 250638289 344838034 /nfs/dbraw/zinc/83/80/34/344838034.db2.gz GKGPNEKFUGAVNU-JGLYPNHGSA-N 2 1 194.322 1.779 10 0 ADAEMP CC[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@H]1[NH+](C)C 250632094 344838073 /nfs/dbraw/zinc/83/80/73/344838073.db2.gz LOIFQIRCPUDZJQ-DDHJBXDOSA-N 2 1 198.354 1.961 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccncc1 250648453 344838570 /nfs/dbraw/zinc/83/85/70/344838570.db2.gz WBVIUVSHYDUTHK-GHMZBOCLSA-N 2 1 191.278 1.033 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 250656511 344838888 /nfs/dbraw/zinc/83/88/88/344838888.db2.gz OCBBZIATXMGLBY-ZRUFSTJUSA-N 2 1 180.295 1.066 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])C[C@@H](C)C[C@@H](C)C1 250660589 344838917 /nfs/dbraw/zinc/83/89/17/344838917.db2.gz QMDINLDSQFOFRI-URLYPYJESA-N 2 1 184.327 1.750 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1[NH+](C)C 250670783 344839388 /nfs/dbraw/zinc/83/93/88/344839388.db2.gz SMLWIOLWVGJINE-GMTAPVOTSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1[NH+](C)C 250670785 344839450 /nfs/dbraw/zinc/83/94/50/344839450.db2.gz SMLWIOLWVGJINE-HBNTYKKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@H]1CC[N@H+](C2CC2)C[C@H]1C 250670874 344839463 /nfs/dbraw/zinc/83/94/63/344839463.db2.gz SOCACYRQLZXIDO-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@H+](C2CC2)C[C@H]1C 250670875 344839508 /nfs/dbraw/zinc/83/95/08/344839508.db2.gz SOCACYRQLZXIDO-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccco1 250712004 344839948 /nfs/dbraw/zinc/83/99/48/344839948.db2.gz GFUXMJBJTCLNTQ-GXSJLCMTSA-N 2 1 194.278 1.492 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccco1 250712004 344839950 /nfs/dbraw/zinc/83/99/50/344839950.db2.gz GFUXMJBJTCLNTQ-GXSJLCMTSA-N 2 1 194.278 1.492 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]C1 250726059 344839983 /nfs/dbraw/zinc/83/99/83/344839983.db2.gz HRVMOHQIZIRLND-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]C1 250726055 344840041 /nfs/dbraw/zinc/84/00/41/344840041.db2.gz HRVMOHQIZIRLND-NWDGAFQWSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccco1 250712007 344840107 /nfs/dbraw/zinc/84/01/07/344840107.db2.gz GFUXMJBJTCLNTQ-MWLCHTKSSA-N 2 1 194.278 1.492 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])C[C@H](C)CC[C@H]1C 250743024 344840465 /nfs/dbraw/zinc/84/04/65/344840465.db2.gz VLUHGNJOZPIDRF-MXWKQRLJSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])C[C@@H](C)CC[C@H]1C 250743022 344840587 /nfs/dbraw/zinc/84/05/87/344840587.db2.gz VLUHGNJOZPIDRF-AXFHLTTASA-N 2 1 184.327 1.750 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@@H]1CCC[C@H]1[NH3+] 250786405 344840877 /nfs/dbraw/zinc/84/08/77/344840877.db2.gz GIIJVZPRQMHCPY-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@@H]1CC[C@H]1C[NH3+] 250780668 344840898 /nfs/dbraw/zinc/84/08/98/344840898.db2.gz CSQHULQPTGCSTM-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@H]2CCC[C@H]2[NH3+])C1 250787375 344840951 /nfs/dbraw/zinc/84/09/51/344840951.db2.gz GUEXCTBRJBAYBV-GHMZBOCLSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1CCC[C@H]1[NH3+] 250786401 344840964 /nfs/dbraw/zinc/84/09/64/344840964.db2.gz GIIJVZPRQMHCPY-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)CCC[N@H+]1[C@H]1CC[C@H]1C[NH3+] 250780667 344841067 /nfs/dbraw/zinc/84/10/67/344841067.db2.gz CSQHULQPTGCSTM-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 250779647 344841097 /nfs/dbraw/zinc/84/10/97/344841097.db2.gz BZQFYZAGZJAXPS-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 250779644 344841110 /nfs/dbraw/zinc/84/11/10/344841110.db2.gz BZQFYZAGZJAXPS-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CCC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 250789447 344841343 /nfs/dbraw/zinc/84/13/43/344841343.db2.gz HUPSRRZHVKNKIC-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCCC[C@H]12 250796194 344841368 /nfs/dbraw/zinc/84/13/68/344841368.db2.gz AOJCMEBOFZPYJC-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C)CCC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 250789441 344841514 /nfs/dbraw/zinc/84/15/14/344841514.db2.gz HUPSRRZHVKNKIC-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CC[C@H]1CC[N@H+]2CCCC[C@H]12 250796198 344841585 /nfs/dbraw/zinc/84/15/85/344841585.db2.gz AOJCMEBOFZPYJC-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 250815112 344841841 /nfs/dbraw/zinc/84/18/41/344841841.db2.gz FBERRMGUUFIJGQ-LPEHRKFASA-N 2 1 168.284 1.256 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)CC[N@@H+]2[C@H]1CC[NH2+]C1 250860050 344842322 /nfs/dbraw/zinc/84/23/22/344842322.db2.gz QDGRMZIXGUXBOC-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1CC[C@H]2CCCC[C@H]21 250852493 344842388 /nfs/dbraw/zinc/84/23/88/344842388.db2.gz OOLLXGFBNOERBC-RKDXNWHRSA-N 2 1 181.283 1.187 10 0 ADAEMP NC(=[NH2+])C[N@H+]1CC[C@H]2CCCC[C@H]21 250852493 344842389 /nfs/dbraw/zinc/84/23/89/344842389.db2.gz OOLLXGFBNOERBC-RKDXNWHRSA-N 2 1 181.283 1.187 10 0 ADAEMP C1CC[N@@H+]2CC[C@@H]([NH2+]C3CC3)[C@H]2C1 250881965 344842775 /nfs/dbraw/zinc/84/27/75/344842775.db2.gz VQJMSODZLFYQPZ-GHMZBOCLSA-N 2 1 180.295 1.365 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([NH2+]C3CC3)[C@H]2C1 250881967 344842887 /nfs/dbraw/zinc/84/28/87/344842887.db2.gz VQJMSODZLFYQPZ-WDEREUQCSA-N 2 1 180.295 1.365 10 0 ADAEMP Cc1ccc[nH+]c1N[C@H]1[C@@H]2C[NH2+]C[C@@H]21 250981790 344843624 /nfs/dbraw/zinc/84/36/24/344843624.db2.gz HUGOJTPBLYPNMZ-MYJAWHEDSA-N 2 1 189.262 1.020 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@H]21 251054704 344845083 /nfs/dbraw/zinc/84/50/83/344845083.db2.gz GTBVZVHIJZKJOM-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@H]21 251054704 344845085 /nfs/dbraw/zinc/84/50/85/344845085.db2.gz GTBVZVHIJZKJOM-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C 251050545 344845219 /nfs/dbraw/zinc/84/52/19/344845219.db2.gz FZLOVXQQBLYGIC-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2CCCC[C@H]21 251089007 344846504 /nfs/dbraw/zinc/84/65/04/344846504.db2.gz JSHCPNURPFBUQX-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@H]2CCCC[C@H]21 251089007 344846507 /nfs/dbraw/zinc/84/65/07/344846507.db2.gz JSHCPNURPFBUQX-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CC2(C)C)C1 251103267 344847028 /nfs/dbraw/zinc/84/70/28/344847028.db2.gz AQVYEEYAUATALR-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP FCC[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 251096201 344847150 /nfs/dbraw/zinc/84/71/50/344847150.db2.gz JFDLBXBXUBVTBD-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP FCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 251096201 344847152 /nfs/dbraw/zinc/84/71/52/344847152.db2.gz JFDLBXBXUBVTBD-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCC[C@H]2CCC[C@H]21 251159261 344848646 /nfs/dbraw/zinc/84/86/46/344848646.db2.gz BZTQFLYAXWANEE-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CCCC[C@H]1C 251196405 344849085 /nfs/dbraw/zinc/84/90/85/344849085.db2.gz FBLHIINYLVZNNP-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CCCC[C@H]1C 251196405 344849087 /nfs/dbraw/zinc/84/90/87/344849087.db2.gz FBLHIINYLVZNNP-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCCC[C@H]1C 251196402 344849273 /nfs/dbraw/zinc/84/92/73/344849273.db2.gz FBLHIINYLVZNNP-BDAKNGLRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCC[C@H]1C 251196402 344849276 /nfs/dbraw/zinc/84/92/76/344849276.db2.gz FBLHIINYLVZNNP-BDAKNGLRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@](C)([NH3+])CN1CCCC[C@H]1C 251207911 344849545 /nfs/dbraw/zinc/84/95/45/344849545.db2.gz CXPSRUHPOPTTJW-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CC[C@H](C)C[C@H]1C 251215094 344849564 /nfs/dbraw/zinc/84/95/64/344849564.db2.gz LDMORKIKHKFENO-IVZWLZJFSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CC[C@H](C)C[C@H]1C 251215094 344849567 /nfs/dbraw/zinc/84/95/67/344849567.db2.gz LDMORKIKHKFENO-IVZWLZJFSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1CC[C@@H](C)C[C@H]1C 251215096 344849735 /nfs/dbraw/zinc/84/97/35/344849735.db2.gz LDMORKIKHKFENO-OPRDCNLKSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1CC[C@@H](C)C[C@H]1C 251215096 344849737 /nfs/dbraw/zinc/84/97/37/344849737.db2.gz LDMORKIKHKFENO-OPRDCNLKSA-N 2 1 197.326 1.821 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 251250102 344850584 /nfs/dbraw/zinc/85/05/84/344850584.db2.gz JZWFBGIVMKMLJO-ZJUUUORDSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 251250097 344850656 /nfs/dbraw/zinc/85/06/56/344850656.db2.gz JZWFBGIVMKMLJO-NXEZZACHSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC(=[NH2+])N1C[C@H]2CCC[N@H+]2C[C@H]1C 251263732 344850901 /nfs/dbraw/zinc/85/09/01/344850901.db2.gz YUNVTLFSYJFTJR-NXEZZACHSA-N 2 1 195.310 1.542 10 0 ADAEMP CC[C@@H](C(N)=[NH2+])[N@H+]1CCCCC[C@H]1C 251259286 344850965 /nfs/dbraw/zinc/85/09/65/344850965.db2.gz XXRYPWZLPPLTTM-ZJUUUORDSA-N 2 1 197.326 1.965 10 0 ADAEMP C1C[C@H]2[C@H](C1)CCC[N@@H+]2[C@@H]1CC[NH2+]C1 251290619 344851453 /nfs/dbraw/zinc/85/14/53/344851453.db2.gz NQJDAYLQFBXOPA-UTUOFQBUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[C@H]2[C@H](C1)CCC[N@H+]2[C@@H]1CC[NH2+]C1 251290619 344851454 /nfs/dbraw/zinc/85/14/54/344851454.db2.gz NQJDAYLQFBXOPA-UTUOFQBUSA-N 2 1 194.322 1.613 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@H]3C[C@H]32)C1 251324708 344851871 /nfs/dbraw/zinc/85/18/71/344851871.db2.gz ONNAEEXBQODRKC-LNFKQOIKSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@H]3C[C@H]32)C1 251324708 344851873 /nfs/dbraw/zinc/85/18/73/344851873.db2.gz ONNAEEXBQODRKC-LNFKQOIKSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]3C[C@@H]32)C1 251324699 344852017 /nfs/dbraw/zinc/85/20/17/344852017.db2.gz ONNAEEXBQODRKC-CHWFTXMASA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]3C[C@@H]32)C1 251324699 344852021 /nfs/dbraw/zinc/85/20/21/344852021.db2.gz ONNAEEXBQODRKC-CHWFTXMASA-N 2 1 180.295 1.208 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)C(C)C)C1 251334426 344852249 /nfs/dbraw/zinc/85/22/49/344852249.db2.gz PAILYCLLTICZQH-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H](C)C(C)C)C1 251334426 344852251 /nfs/dbraw/zinc/85/22/51/344852251.db2.gz PAILYCLLTICZQH-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[C@@H]([NH3+])C1 251364600 344852649 /nfs/dbraw/zinc/85/26/49/344852649.db2.gz WCCUCNIAOOUZHC-AXFHLTTASA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 251364602 344852746 /nfs/dbraw/zinc/85/27/46/344852746.db2.gz WCCUCNIAOOUZHC-DCAQKATOSA-N 2 1 184.327 1.843 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 251384123 344853280 /nfs/dbraw/zinc/85/32/80/344853280.db2.gz WREQHRONXPLSGV-HBNTYKKESA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 251384120 344853351 /nfs/dbraw/zinc/85/33/51/344853351.db2.gz WREQHRONXPLSGV-AXFHLTTASA-N 2 1 184.327 1.987 10 0 ADAEMP CC(C)[C@@H]1CCC[N@@H+]1[C@H](C)C(N)=[NH2+] 251405254 344853803 /nfs/dbraw/zinc/85/38/03/344853803.db2.gz MRFROEZQXIVORJ-BDAKNGLRSA-N 2 1 183.299 1.431 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@H](C)C(N)=[NH2+] 251405254 344853804 /nfs/dbraw/zinc/85/38/04/344853804.db2.gz MRFROEZQXIVORJ-BDAKNGLRSA-N 2 1 183.299 1.431 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]1C[NH3+] 251463865 344854551 /nfs/dbraw/zinc/85/45/51/344854551.db2.gz ZISIQOGUHNKFCT-SDDRHHMPSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]1C[NH3+] 251463872 344854565 /nfs/dbraw/zinc/85/45/65/344854565.db2.gz ZISIQOGUHNKFCT-WOPDTQHZSA-N 2 1 196.338 1.844 10 0 ADAEMP C1C[C@H]([C@@H]2CC[N@H+](C3CC3)C2)C[NH2+]1 251464448 344854706 /nfs/dbraw/zinc/85/47/06/344854706.db2.gz VCWKDLZGBNADFV-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1[NH3+] 251524082 344855658 /nfs/dbraw/zinc/85/56/58/344855658.db2.gz AHDYAOJKFLGVHO-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C1CC1 251518247 344855702 /nfs/dbraw/zinc/85/57/02/344855702.db2.gz GCRAWCALORWMCI-JMJZKYOTSA-N 2 1 180.295 1.079 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]([N@H+]2CC[C@H](C)C2)C1 251525049 344855791 /nfs/dbraw/zinc/85/57/91/344855791.db2.gz AISCZRIFOXUADW-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1C1CC1 251518244 344855822 /nfs/dbraw/zinc/85/58/22/344855822.db2.gz GCRAWCALORWMCI-INTQDDNPSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@@H+]1CC[C@H]1C 251525508 344855881 /nfs/dbraw/zinc/85/58/81/344855881.db2.gz AJIXUHWNPDUBMF-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[N@H+]1CC[C@H]1C 251525508 344855883 /nfs/dbraw/zinc/85/58/83/344855883.db2.gz AJIXUHWNPDUBMF-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1[NH3+] 251524069 344855935 /nfs/dbraw/zinc/85/59/35/344855935.db2.gz AHDYAOJKFLGVHO-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H]([NH3+])C2)C1 251523308 344855946 /nfs/dbraw/zinc/85/59/46/344855946.db2.gz AFYCQVZNIBMDHB-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H]([NH3+])C2)C1 251523321 344855962 /nfs/dbraw/zinc/85/59/62/344855962.db2.gz AFYCQVZNIBMDHB-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2C[NH3+])C1 251540769 344856298 /nfs/dbraw/zinc/85/62/98/344856298.db2.gz BLHVYDMAKAKBMB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2C[NH3+])C1 251540787 344856361 /nfs/dbraw/zinc/85/63/61/344856361.db2.gz BLHVYDMAKAKBMB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H](C)CC[NH3+])C1 251536661 344856471 /nfs/dbraw/zinc/85/64/71/344856471.db2.gz BDQKSRSASCQQOZ-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)[C@H]1C 251536436 344856497 /nfs/dbraw/zinc/85/64/97/344856497.db2.gz HESYZLMQACZGHL-QCNOEVLYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)[C@H]1C 251536436 344856500 /nfs/dbraw/zinc/85/65/00/344856500.db2.gz HESYZLMQACZGHL-QCNOEVLYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)[C@H]1C 251536448 344856607 /nfs/dbraw/zinc/85/66/07/344856607.db2.gz HESYZLMQACZGHL-USZNOCQGSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2C[NH3+])C1 251540781 344856650 /nfs/dbraw/zinc/85/66/50/344856650.db2.gz BLHVYDMAKAKBMB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C[C@H]1C 251563821 344857541 /nfs/dbraw/zinc/85/75/41/344857541.db2.gz BTEMHVQTZPXBGD-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C)[NH2+]C[C@H](C)C1 251563019 344857619 /nfs/dbraw/zinc/85/76/19/344857619.db2.gz CWUPOZZRUCIXNE-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]C[C@H]2C)C1 251554516 344857753 /nfs/dbraw/zinc/85/77/53/344857753.db2.gz CINOQYYQPCWTKY-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C)[NH2+]C[C@H](C)C1 251563011 344857765 /nfs/dbraw/zinc/85/77/65/344857765.db2.gz CWUPOZZRUCIXNE-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H]1C 251557846 344857808 /nfs/dbraw/zinc/85/78/08/344857808.db2.gz AEXDHIJZAKJVHU-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 251563720 344857853 /nfs/dbraw/zinc/85/78/53/344857853.db2.gz AKMNIGANJSWNIB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 251563700 344857898 /nfs/dbraw/zinc/85/78/98/344857898.db2.gz AKMNIGANJSWNIB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+]C[C@H]2C)C1 251554530 344857932 /nfs/dbraw/zinc/85/79/32/344857932.db2.gz CINOQYYQPCWTKY-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@H+]1CC[C@@H](C)C1 251554543 344857993 /nfs/dbraw/zinc/85/79/93/344857993.db2.gz CINOQYYQPCWTKY-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 251563710 344858003 /nfs/dbraw/zinc/85/80/03/344858003.db2.gz AKMNIGANJSWNIB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@H+]1CCC[C@H]1C 251557836 344858042 /nfs/dbraw/zinc/85/80/42/344858042.db2.gz AEXDHIJZAKJVHU-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C)C1 251566517 344858295 /nfs/dbraw/zinc/85/82/95/344858295.db2.gz AMZBVCRDOQFSLN-MXWKQRLJSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C)C1 251566507 344858679 /nfs/dbraw/zinc/85/86/79/344858679.db2.gz AMZBVCRDOQFSLN-GMTAPVOTSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 251583649 344859133 /nfs/dbraw/zinc/85/91/33/344859133.db2.gz FEGLCDYASZZKDP-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CCC[NH2+]CC1 251583801 344859310 /nfs/dbraw/zinc/85/93/10/344859310.db2.gz BCCWTAXNYLULHF-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[C@H]([NH3+])C2)C1 251582089 344859360 /nfs/dbraw/zinc/85/93/60/344859360.db2.gz BAXRGMISMFSZEX-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[NH2+]CC1 251583796 344859448 /nfs/dbraw/zinc/85/94/48/344859448.db2.gz BCCWTAXNYLULHF-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H]([NH3+])C2)C1 251583655 344859506 /nfs/dbraw/zinc/85/95/06/344859506.db2.gz FEGLCDYASZZKDP-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H]([NH3+])C2)C1 251582086 344859512 /nfs/dbraw/zinc/85/95/12/344859512.db2.gz BAXRGMISMFSZEX-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](C[N@H+]1C[C@H](C)CC[C@H]1C)C(N)=[NH2+] 251596628 344859932 /nfs/dbraw/zinc/85/99/32/344859932.db2.gz CNNRCTCMZHKWAX-KXUCPTDWSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCC2)CC[C@H]1[NH3+] 251595302 344859968 /nfs/dbraw/zinc/85/99/68/344859968.db2.gz CXMVGGSELJODPM-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1C[N@H+](C2CCCC2)CC[C@H]1[NH3+] 251593129 344859986 /nfs/dbraw/zinc/85/99/86/344859986.db2.gz CTKYCLGNYGBTKH-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[N@H+](C2CCC2)CC[C@H]1[NH3+] 251595307 344860019 /nfs/dbraw/zinc/86/00/19/344860019.db2.gz CXMVGGSELJODPM-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@H+]1CC[C@H](C)C1 251597969 344860033 /nfs/dbraw/zinc/86/00/33/344860033.db2.gz GBHCVSFXDJEGFA-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@@H+]1CC[C@H]1C 251599619 344860133 /nfs/dbraw/zinc/86/01/33/344860133.db2.gz GCVZUFRQUXRXPH-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H]([NH3+])C[N@H+]1CC[C@H]1C 251599619 344860134 /nfs/dbraw/zinc/86/01/34/344860134.db2.gz GCVZUFRQUXRXPH-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C)C(N)=[NH2+])C1 251596637 344860141 /nfs/dbraw/zinc/86/01/41/344860141.db2.gz CNNRCTCMZHKWAX-OPRDCNLKSA-N 2 1 197.326 1.679 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](C)C1 251597963 344860206 /nfs/dbraw/zinc/86/02/06/344860206.db2.gz GBHCVSFXDJEGFA-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1[NH3+] 251593136 344860218 /nfs/dbraw/zinc/86/02/18/344860218.db2.gz CTKYCLGNYGBTKH-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCCC[C@H]1C[NH3+] 251602028 344860422 /nfs/dbraw/zinc/86/04/22/344860422.db2.gz GHZZWQWJVHDYCS-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@@H]1C[NH3+] 251602020 344860434 /nfs/dbraw/zinc/86/04/34/344860434.db2.gz GHZZWQWJVHDYCS-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC[C@H]1CC[NH2+]C1 251604014 344860464 /nfs/dbraw/zinc/86/04/64/344860464.db2.gz GKFSXGBPIXYNHE-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[N@H+]1CC[C@H]1CC[NH2+]C1 251604021 344860503 /nfs/dbraw/zinc/86/05/03/344860503.db2.gz GKFSXGBPIXYNHE-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@H]1C[NH3+] 251602037 344860565 /nfs/dbraw/zinc/86/05/65/344860565.db2.gz GHZZWQWJVHDYCS-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCN(C2CCCCC2)C[C@H]1[NH3+] 251607982 344860824 /nfs/dbraw/zinc/86/08/24/344860824.db2.gz GRQRNRVVGBIMJR-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H](C)CC(N)=[NH2+])[C@H](C)C1 251613601 344861084 /nfs/dbraw/zinc/86/10/84/344861084.db2.gz CFPFYMVUSVXEEF-OPRDCNLKSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@H]1CC[N@H+](CC(C)(C)[C@H](C)[NH3+])C1 251613522 344861311 /nfs/dbraw/zinc/86/13/11/344861311.db2.gz HBAFCCBRZCFVTR-UWVGGRQHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CCNC[C@@H]1[N@@H+]1CCC[C@H]1C 251627026 344861713 /nfs/dbraw/zinc/86/17/13/344861713.db2.gz IAZHLMZGDHCOTN-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1N1CCC[C@H]1C 251627026 344861716 /nfs/dbraw/zinc/86/17/16/344861716.db2.gz IAZHLMZGDHCOTN-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]([NH3+])[C@H]1C[C@H]1c1c[nH+]cn1C1CC1 251623329 344861772 /nfs/dbraw/zinc/86/17/72/344861772.db2.gz QPBRACGQGIKGAY-FXBDTBDDSA-N 2 1 191.278 1.669 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1C[C@H]1c1c[nH+]cn1C1CC1 251623334 344861815 /nfs/dbraw/zinc/86/18/15/344861815.db2.gz QPBRACGQGIKGAY-UJNFCWOMSA-N 2 1 191.278 1.669 10 0 ADAEMP C[C@@H]1CCC[N@@H+]([C@H](C)C(N)=[NH2+])[C@@H]1C 251623866 344862080 /nfs/dbraw/zinc/86/20/80/344862080.db2.gz CQAPWPHGCAXLPM-IWSPIJDZSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H](C)C(N)=[NH2+])[C@@H]1C 251623866 344862085 /nfs/dbraw/zinc/86/20/85/344862085.db2.gz CQAPWPHGCAXLPM-IWSPIJDZSA-N 2 1 183.299 1.431 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC)C1 251625018 344862107 /nfs/dbraw/zinc/86/21/07/344862107.db2.gz FEJQMSWCPDVTCP-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2NC)C1 251625018 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/nfs/dbraw/zinc/86/23/56/344862356.db2.gz FEJQMSWCPDVTCP-WOPDTQHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@H](C)[C@@H]1CCC[NH2+]C1 251636803 344862498 /nfs/dbraw/zinc/86/24/98/344862498.db2.gz IVGAIEOMSOAXFF-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@H]1[N@H+]1CCC[NH2+][C@H](C)CC1 251648477 344862670 /nfs/dbraw/zinc/86/26/70/344862670.db2.gz JTLZNIDQCSNVDZ-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]2)C1 251643729 344862731 /nfs/dbraw/zinc/86/27/31/344862731.db2.gz GCDCIMQIJDHNJI-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2C)CCC[NH2+]1 251648484 344862851 /nfs/dbraw/zinc/86/28/51/344862851.db2.gz JTLZNIDQCSNVDZ-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]2)C1 251643728 344862902 /nfs/dbraw/zinc/86/29/02/344862902.db2.gz GCDCIMQIJDHNJI-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@H](C)[C@H]1CCC[NH2+]C1 251636807 344862917 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/nfs/dbraw/zinc/86/48/91/344864891.db2.gz HJCQOQHMGIINHQ-PSASIEDQSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 251672318 344864995 /nfs/dbraw/zinc/86/49/95/344864995.db2.gz ADSDNODLUOOVLU-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@H](C)[C@H](C)C1 251670861 344865072 /nfs/dbraw/zinc/86/50/72/344865072.db2.gz GLDYULBMSFYNGC-IVZWLZJFSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 251672315 344865087 /nfs/dbraw/zinc/86/50/87/344865087.db2.gz ADSDNODLUOOVLU-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@@H](C)[C@H](C)C1 251670865 344865196 /nfs/dbraw/zinc/86/51/96/344865196.db2.gz GLDYULBMSFYNGC-OPRDCNLKSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1CC[N@H+]1C1C[C@@H]2CC[C@H](C1)[NH2+]2 251680582 344865705 /nfs/dbraw/zinc/86/57/05/344865705.db2.gz MKBVDHDNZCGEDO-NFLHVTIKSA-N 2 1 180.295 1.364 10 0 ADAEMP C[C@H]1CC[N@H+]1C1C[C@@H]2CC[C@H](C1)[NH2+]2 251680581 344865727 /nfs/dbraw/zinc/86/57/27/344865727.db2.gz MKBVDHDNZCGEDO-GKDVJIACSA-N 2 1 180.295 1.364 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]2C)CC[N@@H+]1C 251686590 344865769 /nfs/dbraw/zinc/86/57/69/344865769.db2.gz AREWIRMTQQYAKI-RCWTZXSCSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]2C)CC[N@H+]1C 251686590 344865770 /nfs/dbraw/zinc/86/57/70/344865770.db2.gz AREWIRMTQQYAKI-RCWTZXSCSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CCCC[NH2+]C2)C1 251684190 344865826 /nfs/dbraw/zinc/86/58/26/344865826.db2.gz MRLZHQLSZNPAJT-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCCC[NH2+]C2)C1 251684187 344865856 /nfs/dbraw/zinc/86/58/56/344865856.db2.gz MRLZHQLSZNPAJT-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 251686593 344865927 /nfs/dbraw/zinc/86/59/27/344865927.db2.gz AREWIRMTQQYAKI-ZNSHCXBVSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 251686593 344865928 /nfs/dbraw/zinc/86/59/28/344865928.db2.gz AREWIRMTQQYAKI-ZNSHCXBVSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@@H](C)CC[C@H]1C 251690812 344866379 /nfs/dbraw/zinc/86/63/79/344866379.db2.gz AUNYRZCFOJENTN-AEJSXWLSSA-N 2 1 170.300 1.359 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@H](C)CC[C@H]1C 251690813 344866477 /nfs/dbraw/zinc/86/64/77/344866477.db2.gz AUNYRZCFOJENTN-BBBLOLIVSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 251703663 344867031 /nfs/dbraw/zinc/86/70/31/344867031.db2.gz OGXSWHXEYMIUCA-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](C)C1 251702672 344867045 /nfs/dbraw/zinc/86/70/45/344867045.db2.gz OETNBEQQAVFWJE-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC)CC[C@H]1C[NH3+] 251704362 344867057 /nfs/dbraw/zinc/86/70/57/344867057.db2.gz JDISFOGEXYFNHH-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H]1CC[N@H+]1CC[C@H]1CCC[NH2+]C1 251700622 344867154 /nfs/dbraw/zinc/86/71/54/344867154.db2.gz OAQWNALNQCLLPZ-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 251703665 344867183 /nfs/dbraw/zinc/86/71/83/344867183.db2.gz OGXSWHXEYMIUCA-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCSC[C@H]1C 251701046 344867231 /nfs/dbraw/zinc/86/72/31/344867231.db2.gz IWJBNDBCUYHILS-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC[C@H]1CCC[NH2+]C1 251700621 344867257 /nfs/dbraw/zinc/86/72/57/344867257.db2.gz OAQWNALNQCLLPZ-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1C[C@@H](C)C[C@](C[NH3+])([NH2+]C2CC2)C1 251702338 344867359 /nfs/dbraw/zinc/86/73/59/344867359.db2.gz BHFDLMVEYWXBDJ-IAZYJMLFSA-N 2 1 196.338 1.892 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 251703664 344867381 /nfs/dbraw/zinc/86/73/81/344867381.db2.gz OGXSWHXEYMIUCA-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H]1C[N@@H+](CC)CC[C@H]1C[NH3+] 251704359 344867457 /nfs/dbraw/zinc/86/74/57/344867457.db2.gz JDISFOGEXYFNHH-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@H+]1CC[C@H](C)C1 251702674 344867463 /nfs/dbraw/zinc/86/74/63/344867463.db2.gz OETNBEQQAVFWJE-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1C(C)C 251717942 344868426 /nfs/dbraw/zinc/86/84/26/344868426.db2.gz RRXYXWYABMTPTN-GARJFASQSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2C[C@H]2C)CC[NH2+]1 251722110 344868488 /nfs/dbraw/zinc/86/84/88/344868488.db2.gz KALJQZCWYBORRV-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+](C[C@H]2CCCC[NH2+]2)C1 251717694 344868545 /nfs/dbraw/zinc/86/85/45/344868545.db2.gz PNVFAEUEVIJQJC-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]2)C1 251717694 344868547 /nfs/dbraw/zinc/86/85/47/344868547.db2.gz PNVFAEUEVIJQJC-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)C2CC2)C1 251722031 344868553 /nfs/dbraw/zinc/86/85/53/344868553.db2.gz ZDIQGLFXAQNRKW-PSASIEDQSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H](C)C2CC2)C1 251722031 344868557 /nfs/dbraw/zinc/86/85/57/344868557.db2.gz ZDIQGLFXAQNRKW-PSASIEDQSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2C[C@@H]2C)CC[NH2+]1 251722101 344868636 /nfs/dbraw/zinc/86/86/36/344868636.db2.gz KALJQZCWYBORRV-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C(C)C 251717943 344868816 /nfs/dbraw/zinc/86/88/16/344868816.db2.gz RRXYXWYABMTPTN-HBNTYKKESA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1CC[N@H+](C[C@H]2CCCC[NH2+]2)C1 251717689 344868842 /nfs/dbraw/zinc/86/88/42/344868842.db2.gz PNVFAEUEVIJQJC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]2)C1 251717689 344868844 /nfs/dbraw/zinc/86/88/44/344868844.db2.gz PNVFAEUEVIJQJC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)CC[NH2+]1 251722105 344868852 /nfs/dbraw/zinc/86/88/52/344868852.db2.gz KALJQZCWYBORRV-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCCCC[C@@H]1[NH3+] 251730713 344869290 /nfs/dbraw/zinc/86/92/90/344869290.db2.gz QLUQUSUUMWHNOV-VWYCJHECSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@H]1[NH3+] 251732317 344869371 /nfs/dbraw/zinc/86/93/71/344869371.db2.gz QQCXDTONDCLBRY-BBBLOLIVSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCCCC[C@H]1[NH3+] 251730708 344869405 /nfs/dbraw/zinc/86/94/05/344869405.db2.gz QLUQUSUUMWHNOV-GMTAPVOTSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCCC[C@@H]1[NH3+] 251732321 344869416 /nfs/dbraw/zinc/86/94/16/344869416.db2.gz QQCXDTONDCLBRY-UTLUCORTSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CC2(C)C)CC[NH2+]1 251744926 344869787 /nfs/dbraw/zinc/86/97/87/344869787.db2.gz RTBALRDVDCONDU-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]2C)CC[NH2+]1 251745653 344869799 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/nfs/dbraw/zinc/87/02/36/344870236.db2.gz RSFNIHXDGOHKNX-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1CCCC[N@@H+]1[C@H](C)C(N)=[NH2+] 251751950 344870556 /nfs/dbraw/zinc/87/05/56/344870556.db2.gz LKDJFHJEENJVFM-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H]1CCCC[N@H+]1[C@H](C)C(N)=[NH2+] 251751950 344870558 /nfs/dbraw/zinc/87/05/58/344870558.db2.gz LKDJFHJEENJVFM-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H]([NH3+])C2)C1 251750923 344870670 /nfs/dbraw/zinc/87/06/70/344870670.db2.gz LJFHHPIFFJBOBU-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CCC[NH2+]C[C@H](C)C1 251749941 344870907 /nfs/dbraw/zinc/87/09/07/344870907.db2.gz LGZGKWJJOAWIFL-NWDGAFQWSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@H+]([C@H](C)C(N)=[NH2+])C1 251767479 344872020 /nfs/dbraw/zinc/87/20/20/344872020.db2.gz KMOHDKKQOGLXOJ-IWSPIJDZSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+]([C@H](C)C(N)=[NH2+])C1 251767479 344872022 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/nfs/dbraw/zinc/87/26/18/344872618.db2.gz MPAWDKJIDREKHA-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CC[C@H](C)C1 251777954 344872654 /nfs/dbraw/zinc/87/26/54/344872654.db2.gz VVQUSLYYFWSLKR-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CC[C@H](C)C1 251777955 344872667 /nfs/dbraw/zinc/87/26/67/344872667.db2.gz VVQUSLYYFWSLKR-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 251780973 344872729 /nfs/dbraw/zinc/87/27/29/344872729.db2.gz MXMXUKUIJSSPEV-MNOVXSKESA-N 2 1 184.327 1.559 10 0 ADAEMP C[C@H]1CC[N@H+](C2CCC2)C[C@H]1[NH3+] 251777993 344872764 /nfs/dbraw/zinc/87/27/64/344872764.db2.gz VWRSVFNKOKXVKN-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[NH2+]C[C@H]1C 251774570 344872800 /nfs/dbraw/zinc/87/28/00/344872800.db2.gz IPXQKVJVHBXFEY-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CCC2)C[C@H]1[NH3+] 251777992 344872811 /nfs/dbraw/zinc/87/28/11/344872811.db2.gz VWRSVFNKOKXVKN-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H]1CC[NH2+]C[C@H]1C 251774573 344872869 /nfs/dbraw/zinc/87/28/69/344872869.db2.gz IPXQKVJVHBXFEY-VWYCJHECSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC1(CC)C[NH+]([C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 251787369 344873262 /nfs/dbraw/zinc/87/32/62/344873262.db2.gz XEOZPCQNRIKOHT-URLYPYJESA-N 2 1 194.322 1.326 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H](C)C1 251790909 344873534 /nfs/dbraw/zinc/87/35/34/344873534.db2.gz XCUVTIMMMVXAAG-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]C[C@@H]2C)C1 251794013 344873832 /nfs/dbraw/zinc/87/38/32/344873832.db2.gz XHLQFFYAZLVRJW-OUAUKWLOSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@H](C)CC)CC[NH2+]1 251793338 344874023 /nfs/dbraw/zinc/87/40/23/344874023.db2.gz NRYITMZMGGGUGQ-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H]1CCC[N@@H+]([C@H](C)C(N)=[NH2+])CC1 251801692 344874033 /nfs/dbraw/zinc/87/40/33/344874033.db2.gz OCJNVRHNGQJTKM-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP CC[C@@H]1CCC[N@H+]([C@H](C)C(N)=[NH2+])CC1 251801692 344874035 /nfs/dbraw/zinc/87/40/35/344874035.db2.gz OCJNVRHNGQJTKM-NXEZZACHSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC2(C)C)CCC[NH2+]1 251804733 344874485 /nfs/dbraw/zinc/87/44/85/344874485.db2.gz YGDHXJHDKQYJPL-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[N@H+]([C@@H]2C[C@H]2C)CCC[NH2+]1 251805797 344874539 /nfs/dbraw/zinc/87/45/39/344874539.db2.gz OIDFWMVJWUVDBM-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CC2(C)C)CC[C@H]1[NH3+] 251806468 344874565 /nfs/dbraw/zinc/87/45/65/344874565.db2.gz OFVDVNJKMNKISH-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@@H]1C[N@H+]([C@H]2C[C@H]2C)CCC[NH2+]1 251805799 344874637 /nfs/dbraw/zinc/87/46/37/344874637.db2.gz OIDFWMVJWUVDBM-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H]([N@H+]2CC[C@H](C)C2)C1 251812273 344874651 /nfs/dbraw/zinc/87/46/51/344874651.db2.gz YXAJWSRXXJUSLH-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)C)C[C@H]1C 251809480 344874665 /nfs/dbraw/zinc/87/46/65/344874665.db2.gz OJSLQPHTVXWJSQ-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 251812721 344874671 /nfs/dbraw/zinc/87/46/71/344874671.db2.gz OSFOULWHCWPPLE-MXWKQRLJSA-N 2 1 182.311 1.741 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@H+]2CC[C@H](C)C2)C1 251812271 344874737 /nfs/dbraw/zinc/87/47/37/344874737.db2.gz YXAJWSRXXJUSLH-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[C@H]([N@H+]2CC[C@@H](C)C2)C[NH2+]1 251807113 344874746 /nfs/dbraw/zinc/87/47/46/344874746.db2.gz YLLAKCSMWLWGRQ-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]([NH3+])C1 251812717 344874767 /nfs/dbraw/zinc/87/47/67/344874767.db2.gz OSFOULWHCWPPLE-AXFHLTTASA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2CC2(C)C)CC[C@@H]1[NH3+] 251806469 344874786 /nfs/dbraw/zinc/87/47/86/344874786.db2.gz OFVDVNJKMNKISH-UTLUCORTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C1 251807110 344874860 /nfs/dbraw/zinc/87/48/60/344874860.db2.gz YLLAKCSMWLWGRQ-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2CC2(C)C)CC[C@H]1[NH3+] 251806467 344874918 /nfs/dbraw/zinc/87/49/18/344874918.db2.gz OFVDVNJKMNKISH-BBBLOLIVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)CCC[NH2+]1 251815723 344875116 /nfs/dbraw/zinc/87/51/16/344875116.db2.gz ZFNDOWYWIFKARX-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCC[NH2+]C1 251819545 344875181 /nfs/dbraw/zinc/87/51/81/344875181.db2.gz ZPJJTFQDHGDFSL-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 251818730 344875264 /nfs/dbraw/zinc/87/52/64/344875264.db2.gz ZOTAIFXDSGSWKO-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 251818727 344875316 /nfs/dbraw/zinc/87/53/16/344875316.db2.gz ZOTAIFXDSGSWKO-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1CCC[NH2+]C1 251819543 344875413 /nfs/dbraw/zinc/87/54/13/344875413.db2.gz ZPJJTFQDHGDFSL-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 251838607 344875703 /nfs/dbraw/zinc/87/57/03/344875703.db2.gz LCIWFSLSZPCLEY-SDDRHHMPSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251832782 344875738 /nfs/dbraw/zinc/87/57/38/344875738.db2.gz PRRQJCGXNBWETH-GHMZBOCLSA-N 2 1 182.311 1.622 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 251838609 344875773 /nfs/dbraw/zinc/87/57/73/344875773.db2.gz LCIWFSLSZPCLEY-SRVKXCTJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[N@@H+]([C@H](C)CC(N)=[NH2+])C1 251848417 344876348 /nfs/dbraw/zinc/87/63/48/344876348.db2.gz OTIIPIQYEKLQKG-OPRDCNLKSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@H]1C[N@H+](Cc2ccoc2)CC[C@H]1[NH3+] 251852891 344876429 /nfs/dbraw/zinc/87/64/29/344876429.db2.gz RPXGKSOXAFOGAW-GXSJLCMTSA-N 2 1 194.278 1.449 10 0 ADAEMP C[C@H]1C[N@@H+](Cc2ccoc2)CC[C@H]1[NH3+] 251852891 344876432 /nfs/dbraw/zinc/87/64/32/344876432.db2.gz RPXGKSOXAFOGAW-GXSJLCMTSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@](C)([NH3+])C1 251844076 344876470 /nfs/dbraw/zinc/87/64/70/344876470.db2.gz LXNZAXFFVAKAKT-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)C[C@H]1C 251848460 344876639 /nfs/dbraw/zinc/87/66/39/344876639.db2.gz OTSJBYNORMRUEK-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C[C@H]1C 251848460 344876640 /nfs/dbraw/zinc/87/66/40/344876640.db2.gz OTSJBYNORMRUEK-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H](CC(N)=[NH2+])[N@H+]1C[C@H](C)CC[C@H]1C 251848415 344876658 /nfs/dbraw/zinc/87/66/58/344876658.db2.gz OTIIPIQYEKLQKG-BBBLOLIVSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C)C[NH2+]1 251847977 344876706 /nfs/dbraw/zinc/87/67/06/344876706.db2.gz OSMBXWSSGHOJEN-MXWKQRLJSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@](C)([NH3+])C1 251844078 344876768 /nfs/dbraw/zinc/87/67/68/344876768.db2.gz LXNZAXFFVAKAKT-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 251861668 344877101 /nfs/dbraw/zinc/87/71/01/344877101.db2.gz OMQUEIYVGGIWGW-DCAQKATOSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[N@H+](C2(C)CCCC2)CC[C@H]1[NH3+] 251865672 344877714 /nfs/dbraw/zinc/87/77/14/344877714.db2.gz SWFJFZUOLVGXDQ-GHMZBOCLSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@H]1[NH3+] 251872431 344877728 /nfs/dbraw/zinc/87/77/28/344877728.db2.gz UMQIOXROCRYAFE-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H](C)C(C)C)C[C@@H]1C 251868786 344877751 /nfs/dbraw/zinc/87/77/51/344877751.db2.gz TWBJISYWKAXJSW-QJPTWQEYSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@H]1C[N@H+](C2(C)CCCC2)CC[C@H]1[NH3+] 251865673 344878091 /nfs/dbraw/zinc/87/80/91/344878091.db2.gz SWFJFZUOLVGXDQ-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)C(C)C)C[C@H]1C 251868784 344878200 /nfs/dbraw/zinc/87/82/00/344878200.db2.gz TWBJISYWKAXJSW-GRYCIOLGSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@H]1[NH3+] 251872432 344878285 /nfs/dbraw/zinc/87/82/85/344878285.db2.gz UMQIOXROCRYAFE-QJPTWQEYSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@@H]1[NH3+] 251872433 344878311 /nfs/dbraw/zinc/87/83/11/344878311.db2.gz UMQIOXROCRYAFE-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H](C)C(C)C)C[C@H]1C 251868785 344878324 /nfs/dbraw/zinc/87/83/24/344878324.db2.gz TWBJISYWKAXJSW-IJLUTSLNSA-N 2 1 198.354 1.961 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CC[C@@H]1[NH3+] 251888181 344878672 /nfs/dbraw/zinc/87/86/72/344878672.db2.gz VHZNXOBGOXDWJA-KKZNHRDASA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@H]1C[N@H+](C2CCC2)CC[C@H]1[NH3+] 251883861 344878718 /nfs/dbraw/zinc/87/87/18/344878718.db2.gz VKXMIEZYHHLBMU-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)C2CC2)CC[C@H]1[NH3+] 251888179 344878780 /nfs/dbraw/zinc/87/87/80/344878780.db2.gz VHZNXOBGOXDWJA-FXPVBKGRSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2C[NH3+])C[C@@H]1C 251884497 344878827 /nfs/dbraw/zinc/87/88/27/344878827.db2.gz VBNFOCFYTGWJGW-ZRUFSTJUSA-N 2 1 182.311 1.312 10 0 ADAEMP CC[C@H]1CC[N@@H+]([C@H](C)C[NH3+])C1 251881994 344878849 /nfs/dbraw/zinc/87/88/49/344878849.db2.gz VGMVJDCEYLOSHB-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@H](C)C[NH3+])C1 251881994 344878851 /nfs/dbraw/zinc/87/88/51/344878851.db2.gz VGMVJDCEYLOSHB-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251888183 344878920 /nfs/dbraw/zinc/87/89/20/344878920.db2.gz VHZNXOBGOXDWJA-WCABBAIRSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@H](C)C[NH3+])C1 251881996 344878937 /nfs/dbraw/zinc/87/89/37/344878937.db2.gz VGMVJDCEYLOSHB-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H](C)C[NH3+])C1 251881996 344878938 /nfs/dbraw/zinc/87/89/38/344878938.db2.gz VGMVJDCEYLOSHB-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CCC2)CC[C@H]1[NH3+] 251883862 344878968 /nfs/dbraw/zinc/87/89/68/344878968.db2.gz VKXMIEZYHHLBMU-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1C 251878205 344879038 /nfs/dbraw/zinc/87/90/38/344879038.db2.gz UOPYDJYSQJFTQP-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(C)(C)C)CC[C@H]1[NH3+] 251891136 344879183 /nfs/dbraw/zinc/87/91/83/344879183.db2.gz VOFNCSCKQYGLDX-NXEZZACHSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[N@@H+](CC(C)(C)C)CC[C@H]1[NH3+] 251891137 344879220 /nfs/dbraw/zinc/87/92/20/344879220.db2.gz VOFNCSCKQYGLDX-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@H]([NH3+])C2)C1 251903568 344879280 /nfs/dbraw/zinc/87/92/80/344879280.db2.gz XBOPPEGAFNXINB-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCCC2)CC[C@H]1[NH3+] 251901267 344879352 /nfs/dbraw/zinc/87/93/52/344879352.db2.gz WJVLROWHAJQXFL-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]([NH3+])C2)C1 251903567 344879606 /nfs/dbraw/zinc/87/96/06/344879606.db2.gz XBOPPEGAFNXINB-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCCC2)CC[C@H]1[NH3+] 251901270 344879644 /nfs/dbraw/zinc/87/96/44/344879644.db2.gz WJVLROWHAJQXFL-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CSCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251908005 344879848 /nfs/dbraw/zinc/87/98/48/344879848.db2.gz WYJMSZZREJPCLU-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 251915045 344879913 /nfs/dbraw/zinc/87/99/13/344879913.db2.gz UHKYQRBDRHBAKC-KXNHARMFSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251915167 344879937 /nfs/dbraw/zinc/87/99/37/344879937.db2.gz XMKPZYDZYKGJHW-OUAUKWLOSA-N 2 1 184.327 1.700 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1[C@H]1CC[C@H]([NH3+])C1 251915046 344880230 /nfs/dbraw/zinc/88/02/30/344880230.db2.gz UHKYQRBDRHBAKC-RHYQMDGZSA-N 2 1 196.338 1.987 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C[C@H]1C 251940112 344881435 /nfs/dbraw/zinc/88/14/35/344881435.db2.gz ZNFKBWMUNPRYOY-MWLCHTKSSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H](CC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251933294 344881457 /nfs/dbraw/zinc/88/14/57/344881457.db2.gz YYAAGNNUPHMJBO-JFGNBEQYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1[NH3+] 251936480 344881615 /nfs/dbraw/zinc/88/16/15/344881615.db2.gz ZFQWODGNHWQPMN-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)CC2CC2)CC[C@@H]1[NH3+] 251933293 344881651 /nfs/dbraw/zinc/88/16/51/344881651.db2.gz YYAAGNNUPHMJBO-FOGDFJRCSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)CC2CC2)CC[C@H]1[NH3+] 251933291 344881689 /nfs/dbraw/zinc/88/16/89/344881689.db2.gz YYAAGNNUPHMJBO-CKYFFXLPSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCC2)CC[C@H]1[NH3+] 251936476 344881787 /nfs/dbraw/zinc/88/17/87/344881787.db2.gz ZFQWODGNHWQPMN-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@H]1CCC[NH2+]CC1 251949750 344881985 /nfs/dbraw/zinc/88/19/85/344881985.db2.gz UHCWJPGAKFTESY-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@H]2C1(C)C 251956894 344882045 /nfs/dbraw/zinc/88/20/45/344882045.db2.gz VFDHLGWIBJWGLM-GARJFASQSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@H](C)C2CC2)C1 251943609 344882129 /nfs/dbraw/zinc/88/21/29/344882129.db2.gz ZUAWXJSJEXMIKR-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@H]2C1(C)C 251956891 344882245 /nfs/dbraw/zinc/88/22/45/344882245.db2.gz VFDHLGWIBJWGLM-AXFHLTTASA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)[C@H]1CCC[NH2+]CC1 251949748 344882322 /nfs/dbraw/zinc/88/23/22/344882322.db2.gz UHCWJPGAKFTESY-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251965432 344882636 /nfs/dbraw/zinc/88/26/36/344882636.db2.gz WBWGGMINPRUJCC-KXUCPTDWSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1(C)C 251956897 344882757 /nfs/dbraw/zinc/88/27/57/344882757.db2.gz VFDHLGWIBJWGLM-HBNTYKKESA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251965431 344882830 /nfs/dbraw/zinc/88/28/30/344882830.db2.gz WBWGGMINPRUJCC-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H](N)CC[C@H]1C 252018518 344883198 /nfs/dbraw/zinc/88/31/98/344883198.db2.gz WZHYQBBXKPUNKE-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 252004078 344883485 /nfs/dbraw/zinc/88/34/85/344883485.db2.gz WMKBLWWHJHZQBU-AEJSXWLSSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H](N)CC[C@H]1C 252018517 344883574 /nfs/dbraw/zinc/88/35/74/344883574.db2.gz WZHYQBBXKPUNKE-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 252004079 344883594 /nfs/dbraw/zinc/88/35/94/344883594.db2.gz WMKBLWWHJHZQBU-IVZWLZJFSA-N 2 1 170.300 1.597 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]1C[NH3+] 252087903 344884037 /nfs/dbraw/zinc/88/40/37/344884037.db2.gz DBWXWRHFNPMSKF-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]([NH3+])C1 252087199 344884071 /nfs/dbraw/zinc/88/40/71/344884071.db2.gz DACRJYICGKVFAC-MXWKQRLJSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@H](C)C(N)=[NH2+] 252098547 344884388 /nfs/dbraw/zinc/88/43/88/344884388.db2.gz FWEKWLFESZDTLJ-BBBLOLIVSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@H](C)C(N)=[NH2+] 252098547 344884391 /nfs/dbraw/zinc/88/43/91/344884391.db2.gz FWEKWLFESZDTLJ-BBBLOLIVSA-N 2 1 197.326 1.821 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC2(C)C)[C@H](C)C1 252098651 344884464 /nfs/dbraw/zinc/88/44/64/344884464.db2.gz ICDSNWLGJXDRHS-MXWKQRLJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H](C)C1CC1 252099038 344884580 /nfs/dbraw/zinc/88/45/80/344884580.db2.gz IDPHWFFDOPQXAX-KKZNHRDASA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+](C)[C@@H]1CCCC[C@H]1C 252098549 344884663 /nfs/dbraw/zinc/88/46/63/344884663.db2.gz FWEKWLFESZDTLJ-KXUCPTDWSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+](C)[C@@H]1CCCC[C@H]1C 252098549 344884665 /nfs/dbraw/zinc/88/46/65/344884665.db2.gz FWEKWLFESZDTLJ-KXUCPTDWSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@H](C)C1CC1 252099037 344884680 /nfs/dbraw/zinc/88/46/80/344884680.db2.gz IDPHWFFDOPQXAX-FXPVBKGRSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCC[C@H](C)CC1 252100674 344884698 /nfs/dbraw/zinc/88/46/98/344884698.db2.gz GEYSFXSBHWMPPY-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC2(C)C)[C@@H](C)C1 252098650 344884704 /nfs/dbraw/zinc/88/47/04/344884704.db2.gz ICDSNWLGJXDRHS-AXFHLTTASA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@H](C)C(N)=[NH2+] 252098550 344884742 /nfs/dbraw/zinc/88/47/42/344884742.db2.gz FWEKWLFESZDTLJ-OPRDCNLKSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@H+](C)[C@H](C)C(N)=[NH2+] 252098550 344884744 /nfs/dbraw/zinc/88/47/44/344884744.db2.gz FWEKWLFESZDTLJ-OPRDCNLKSA-N 2 1 197.326 1.821 10 0 ADAEMP C[C@@H]1C[C@@H]([C@H]2CC[NH2+]C2)CC[N@H+]1C 252103282 344885049 /nfs/dbraw/zinc/88/50/49/344885049.db2.gz IQIDWXLRZWCDRU-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 252110497 344885270 /nfs/dbraw/zinc/88/52/70/344885270.db2.gz HRQWDDFOTCAHMA-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCC[C@H]1C 252101983 344885362 /nfs/dbraw/zinc/88/53/62/344885362.db2.gz GJYYZAWPWGJETN-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 252110496 344885478 /nfs/dbraw/zinc/88/54/78/344885478.db2.gz HRQWDDFOTCAHMA-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@@H](C)C[C@H]1C 252113117 344885914 /nfs/dbraw/zinc/88/59/14/344885914.db2.gz IBEFWPFWUHDZGZ-OUAUKWLOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC[C@H]1C 252110976 344885993 /nfs/dbraw/zinc/88/59/93/344885993.db2.gz HTCCDPCGUJUZPT-VGMNWLOBSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H](C)C[C@@H]1C 252113114 344886025 /nfs/dbraw/zinc/88/60/25/344886025.db2.gz IBEFWPFWUHDZGZ-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC[C@H]1C 252110975 344886122 /nfs/dbraw/zinc/88/61/22/344886122.db2.gz HTCCDPCGUJUZPT-HRDYMLBCSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H](C)C[C@H]1C 252113116 344886164 /nfs/dbraw/zinc/88/61/64/344886164.db2.gz IBEFWPFWUHDZGZ-GARJFASQSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CC[N@H+](C[C@H](C)C[NH3+])[C@H](C)C1 252118461 344886400 /nfs/dbraw/zinc/88/64/00/344886400.db2.gz IZICDEFJXZEWCF-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]12 252120097 344886444 /nfs/dbraw/zinc/88/64/44/344886444.db2.gz KSIYWGVNJXYSJK-RCWTZXSCSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]12 252120097 344886447 /nfs/dbraw/zinc/88/64/47/344886447.db2.gz KSIYWGVNJXYSJK-RCWTZXSCSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 252120098 344886466 /nfs/dbraw/zinc/88/64/66/344886466.db2.gz KSIYWGVNJXYSJK-VPOLOUISSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 252120098 344886469 /nfs/dbraw/zinc/88/64/69/344886469.db2.gz KSIYWGVNJXYSJK-VPOLOUISSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@H](CC[NH3+])[N@H+]1CCCCC[C@H]1C 252126441 344886507 /nfs/dbraw/zinc/88/65/07/344886507.db2.gz KDOLBSTVHOPXFK-GHMZBOCLSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H](C[NH3+])C1 252125594 344886547 /nfs/dbraw/zinc/88/65/47/344886547.db2.gz KADCLCAZKVIMEK-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 252125592 344886580 /nfs/dbraw/zinc/88/65/80/344886580.db2.gz KADCLCAZKVIMEK-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]1 252119554 344886622 /nfs/dbraw/zinc/88/66/22/344886622.db2.gz JCKDLCRNTDPXJJ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H](C[NH3+])C1 252125595 344886632 /nfs/dbraw/zinc/88/66/32/344886632.db2.gz KADCLCAZKVIMEK-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@@H+](C2CC([NH3+])C2)[C@H]1C 252120984 344886711 /nfs/dbraw/zinc/88/67/11/344886711.db2.gz JIJIVXKFIGKKRC-SAAXCQNUSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1C1CC([NH3+])C1 252120983 344886776 /nfs/dbraw/zinc/88/67/76/344886776.db2.gz JIJIVXKFIGKKRC-MFQSTILNSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H]1C[NH3+] 252127485 344886993 /nfs/dbraw/zinc/88/69/93/344886993.db2.gz KGUAKBUUUXXYIF-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]2)C1 252129368 344887025 /nfs/dbraw/zinc/88/70/25/344887025.db2.gz KNHNLHMRNRBIAV-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]2)C1 252129367 344887033 /nfs/dbraw/zinc/88/70/33/344887033.db2.gz KNHNLHMRNRBIAV-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H]1C[NH3+] 252127483 344887048 /nfs/dbraw/zinc/88/70/48/344887048.db2.gz KGUAKBUUUXXYIF-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])[C@@H]1C 252132936 344887076 /nfs/dbraw/zinc/88/70/76/344887076.db2.gz LCDSTKRZGDHNES-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C[N@H+]1CC[C@@H](C)C[C@H]1C)C(N)=[NH2+] 252129027 344887104 /nfs/dbraw/zinc/88/71/04/344887104.db2.gz KMBXFGZJEHDTNT-KXUCPTDWSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCC[C@@H](C)[C@H]1C 252132935 344887206 /nfs/dbraw/zinc/88/72/06/344887206.db2.gz LCDSTKRZGDHNES-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])C1 252134985 344887215 /nfs/dbraw/zinc/88/72/15/344887215.db2.gz LJPRTOVKQFULBS-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@H+]1CCC[C@H](C)C1 252135103 344887278 /nfs/dbraw/zinc/88/72/78/344887278.db2.gz LKFUIHFZDCALRY-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H]1C[NH3+] 252127484 344887323 /nfs/dbraw/zinc/88/73/23/344887323.db2.gz KGUAKBUUUXXYIF-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])[C@H]1C 252132937 344887341 /nfs/dbraw/zinc/88/73/41/344887341.db2.gz LCDSTKRZGDHNES-VWYCJHECSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@](C[NH3+])([NH2+]C2CC2)C[C@@H](C)O1 252135116 344887365 /nfs/dbraw/zinc/88/73/65/344887365.db2.gz MLYVRNQUMLNQSF-DOFRTFSJSA-N 2 1 198.310 1.023 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H](C)C1 252135105 344887373 /nfs/dbraw/zinc/88/73/73/344887373.db2.gz LKFUIHFZDCALRY-SRVKXCTJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]1 252152569 344888302 /nfs/dbraw/zinc/88/83/02/344888302.db2.gz MSZIHPPKVYJJCQ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]1 252152569 344888303 /nfs/dbraw/zinc/88/83/03/344888303.db2.gz MSZIHPPKVYJJCQ-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])C[C@@H](C)C[C@@H](C)C1 252153165 344888373 /nfs/dbraw/zinc/88/83/73/344888373.db2.gz OVVFQXAPWMLMCL-MYJAWHEDSA-N 2 1 170.300 1.359 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[NH2+]1 252152568 344888527 /nfs/dbraw/zinc/88/85/27/344888527.db2.gz MSZIHPPKVYJJCQ-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[NH2+]1 252152568 344888530 /nfs/dbraw/zinc/88/85/30/344888530.db2.gz MSZIHPPKVYJJCQ-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)CC1 252160553 344888723 /nfs/dbraw/zinc/88/87/23/344888723.db2.gz PUHOMIOZNOKUEK-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[C@H]1[NH3+] 252157028 344888732 /nfs/dbraw/zinc/88/87/32/344888732.db2.gz NLHDHTMZMZXKMN-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)CC1 252160554 344888745 /nfs/dbraw/zinc/88/87/45/344888745.db2.gz PUHOMIOZNOKUEK-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]([NH3+])C(C)(C)C[N@H+]1CCC[C@H]1C 252156111 344888755 /nfs/dbraw/zinc/88/87/55/344888755.db2.gz NHVWTHMQNGTQFO-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1C[C@H]1[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 252166874 344888801 /nfs/dbraw/zinc/88/88/01/344888801.db2.gz QOQFFBKDFXVWNW-SGIHWFKDSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@H]1[NH3+] 252157030 344888914 /nfs/dbraw/zinc/88/89/14/344888914.db2.gz NLHDHTMZMZXKMN-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCC[C@H]1C 252156474 344889035 /nfs/dbraw/zinc/88/90/35/344889035.db2.gz NJNVZNZRLCYXEP-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CCCC[C@@H]1[NH3+] 252157031 344889091 /nfs/dbraw/zinc/88/90/91/344889091.db2.gz NLHDHTMZMZXKMN-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2C)CC[C@H]1[NH3+] 252166876 344889131 /nfs/dbraw/zinc/88/91/31/344889131.db2.gz QOQFFBKDFXVWNW-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@@H]1C[NH3+] 252170438 344889496 /nfs/dbraw/zinc/88/94/96/344889496.db2.gz NVTJDMPTFVORPE-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@H]1C[NH3+] 252170633 344889535 /nfs/dbraw/zinc/88/95/35/344889535.db2.gz NVTJDMPTFVORPE-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCC[C@H]1C[NH3+] 252170634 344889705 /nfs/dbraw/zinc/88/97/05/344889705.db2.gz NVTJDMPTFVORPE-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCC[C@H]1C 252171794 344889759 /nfs/dbraw/zinc/88/97/59/344889759.db2.gz OCGDMJHKEMBGTL-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC[C@H]1C 252180658 344890104 /nfs/dbraw/zinc/89/01/04/344890104.db2.gz PZDQKOQHECDXSG-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@]12C[C@@H](C)[N@H+](C)C2 252179100 344890226 /nfs/dbraw/zinc/89/02/26/344890226.db2.gz SPEBSLCPMYRQSK-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@]12C[C@@H](C)[N@H+](C)C2 252179101 344890363 /nfs/dbraw/zinc/89/03/63/344890363.db2.gz SPEBSLCPMYRQSK-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@H]1[NH3+] 252190638 344890706 /nfs/dbraw/zinc/89/07/06/344890706.db2.gz ROKILCFSWBIONX-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@@H]1[NH3+] 252190637 344890769 /nfs/dbraw/zinc/89/07/69/344890769.db2.gz ROKILCFSWBIONX-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@H]1[NH3+] 252190636 344890787 /nfs/dbraw/zinc/89/07/87/344890787.db2.gz ROKILCFSWBIONX-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C)[C@@H](C)C1 252194164 344891021 /nfs/dbraw/zinc/89/10/21/344891021.db2.gz VHRLJPKZUFSYCM-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2C)[C@H](C)C1 252194166 344891075 /nfs/dbraw/zinc/89/10/75/344891075.db2.gz VHRLJPKZUFSYCM-LNFKQOIKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]C[C@H]1C 252199451 344891087 /nfs/dbraw/zinc/89/10/87/344891087.db2.gz SYUREGQFKVHFSF-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2C)[C@H](C)C1 252194163 344891099 /nfs/dbraw/zinc/89/10/99/344891099.db2.gz VHRLJPKZUFSYCM-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+]1CCC[C@H]1C 252199448 344891126 /nfs/dbraw/zinc/89/11/26/344891126.db2.gz SYUREGQFKVHFSF-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1C1CC[NH2+]CC1 252192309 344891145 /nfs/dbraw/zinc/89/11/45/344891145.db2.gz RUURRMMCDZBDMI-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+]1CCC[C@H]1C 252199449 344891167 /nfs/dbraw/zinc/89/11/67/344891167.db2.gz SYUREGQFKVHFSF-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])C[C@H]1C 252202083 344891365 /nfs/dbraw/zinc/89/13/65/344891365.db2.gz WMDJAYJCFXKSQL-IMSYWVGJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 252202084 344891494 /nfs/dbraw/zinc/89/14/94/344891494.db2.gz WMDJAYJCFXKSQL-KYXWUPHJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CCCC[NH2+]C1 252201462 344891635 /nfs/dbraw/zinc/89/16/35/344891635.db2.gz UDTIVMBDRHKWKD-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CCCC[NH2+]C1 252201463 344891746 /nfs/dbraw/zinc/89/17/46/344891746.db2.gz UDTIVMBDRHKWKD-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 252209204 344891908 /nfs/dbraw/zinc/89/19/08/344891908.db2.gz VWFMTMIXFPOEFB-MXWKQRLJSA-N 2 1 182.311 1.741 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]1[N@H+]1CCC[C@H]1C 252206422 344891932 /nfs/dbraw/zinc/89/19/32/344891932.db2.gz VFDQXQRDMSSMGI-GMTAPVOTSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@@H](C)C[NH+]([C@H](C)C(N)=[NH2+])C1 252206804 344891985 /nfs/dbraw/zinc/89/19/85/344891985.db2.gz XHIKHGYMUOOUOE-IWSPIJDZSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H]([NH3+])C1 252209205 344892117 /nfs/dbraw/zinc/89/21/17/344892117.db2.gz VWFMTMIXFPOEFB-VWYCJHECSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[NH+]1C[C@H](C)C[C@@H](C)C1 252206803 344892298 /nfs/dbraw/zinc/89/22/98/344892298.db2.gz XHIKHGYMUOOUOE-HLTSFMKQSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H](C[N@H+]1CCCCC[C@H]1C)C(N)=[NH2+] 252207423 344892308 /nfs/dbraw/zinc/89/23/08/344892308.db2.gz VKCKWHRCTUGEHS-VHSXEESVSA-N 2 1 197.326 1.823 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@H]1CC1(C)C 252213376 344892717 /nfs/dbraw/zinc/89/27/17/344892717.db2.gz YQWXYLFXBYRHQY-BBBLOLIVSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CCC[N@H+](C[C@H](C)C[NH3+])CC1 252214044 344892651 /nfs/dbraw/zinc/89/26/51/344892651.db2.gz XDWCNLOZJNSWKY-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C[C@H]2C)C1 252214489 344892705 /nfs/dbraw/zinc/89/27/05/344892705.db2.gz XHFGHCZMJJPIGD-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@H+]1CCC[C@@H](C)C1 252214490 344892745 /nfs/dbraw/zinc/89/27/45/344892745.db2.gz XHFGHCZMJJPIGD-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@H]1CC1(C)C 252213377 344892980 /nfs/dbraw/zinc/89/29/80/344892980.db2.gz YQWXYLFXBYRHQY-UTLUCORTSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C[C@H]2C)C1 252214488 344892995 /nfs/dbraw/zinc/89/29/95/344892995.db2.gz XHFGHCZMJJPIGD-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H]1C 252218985 344893226 /nfs/dbraw/zinc/89/32/26/344893226.db2.gz ZWTPAVVOQBBBIR-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H]1C 252218986 344893250 /nfs/dbraw/zinc/89/32/50/344893250.db2.gz ZWTPAVVOQBBBIR-LMLFDSFASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1[C@H](C)C(N)=[NH2+] 252218247 344893316 /nfs/dbraw/zinc/89/33/16/344893316.db2.gz YHTOSWCQYREYHX-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP C[C@@H]1CCCCC[N@@H+]1[C@H](C)C(N)=[NH2+] 252218247 344893318 /nfs/dbraw/zinc/89/33/18/344893318.db2.gz YHTOSWCQYREYHX-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H]1C 252218987 344893378 /nfs/dbraw/zinc/89/33/78/344893378.db2.gz ZWTPAVVOQBBBIR-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CCC[C@H]1C 252216003 344893508 /nfs/dbraw/zinc/89/35/08/344893508.db2.gz XRTAFEYOOSHLEG-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CCC[C@H]1C 252216003 344893511 /nfs/dbraw/zinc/89/35/11/344893511.db2.gz XRTAFEYOOSHLEG-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 252221750 344894041 /nfs/dbraw/zinc/89/40/41/344894041.db2.gz ZEZWUSUSBSDCEL-BBBLOLIVSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[C@H]([NH3+])C1 252221751 344894054 /nfs/dbraw/zinc/89/40/54/344894054.db2.gz ZEZWUSUSBSDCEL-UTLUCORTSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 252389376 344894230 /nfs/dbraw/zinc/89/42/30/344894230.db2.gz IKPQQDATSCQCNF-OPRDCNLKSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 252372965 344894269 /nfs/dbraw/zinc/89/42/69/344894269.db2.gz NDYRMHNLXUAZDR-KXUCPTDWSA-N 2 1 168.284 1.127 10 0 ADAEMP CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 252388537 344894344 /nfs/dbraw/zinc/89/43/44/344894344.db2.gz FDBQMCCLMAPZFJ-GMTAPVOTSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 252389374 344894436 /nfs/dbraw/zinc/89/44/36/344894436.db2.gz IKPQQDATSCQCNF-KXUCPTDWSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+]C[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 252372966 344894445 /nfs/dbraw/zinc/89/44/45/344894445.db2.gz NDYRMHNLXUAZDR-LPEHRKFASA-N 2 1 168.284 1.127 10 0 ADAEMP C[NH2+]C[C@@H](C)[N@H+]1CCC[C@H]1C 252381686 344894593 /nfs/dbraw/zinc/89/45/93/344894593.db2.gz NTKYELJPYCSLOD-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 252388538 344894644 /nfs/dbraw/zinc/89/46/44/344894644.db2.gz FDBQMCCLMAPZFJ-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP Cc1ccc(N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1 252414920 344895012 /nfs/dbraw/zinc/89/50/12/344895012.db2.gz QTBBCSJGEYUJEL-JZYVYDRUSA-N 2 1 189.262 1.020 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1[C@H](C)CC(N)=[NH2+] 252413186 344895093 /nfs/dbraw/zinc/89/50/93/344895093.db2.gz BZEOSCQZJFRUSA-HTQZYQBOSA-N 2 1 169.272 1.185 10 0 ADAEMP C/C=C\C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 252432598 344895806 /nfs/dbraw/zinc/89/58/06/344895806.db2.gz GKGPNEKFUGAVNU-JDEDCZITSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C\C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 252432598 344895808 /nfs/dbraw/zinc/89/58/08/344895808.db2.gz GKGPNEKFUGAVNU-JDEDCZITSA-N 2 1 194.322 1.779 10 0 ADAEMP C[C@@H](C[N@H+]1CCCC[C@H]1C)C(N)=[NH2+] 252433761 344895834 /nfs/dbraw/zinc/89/58/34/344895834.db2.gz CTAVAJXXSICZLU-DTWKUNHWSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@@H]1CCCC[N@@H+]1[C@H](C)CC(N)=[NH2+] 252438795 344896408 /nfs/dbraw/zinc/89/64/08/344896408.db2.gz GOMUWDBJDQYNTC-RKDXNWHRSA-N 2 1 183.299 1.575 10 0 ADAEMP C/C=C/C[N@H+]1[C@H](C[NH3+])CCC[C@H]1C 252464001 344897933 /nfs/dbraw/zinc/89/79/33/344897933.db2.gz VJXPRPJYDZEARY-YHROSDCASA-N 2 1 182.311 1.764 10 0 ADAEMP C/C=C/C[N@@H+]1[C@H](C[NH3+])CCC[C@H]1C 252464001 344897935 /nfs/dbraw/zinc/89/79/35/344897935.db2.gz VJXPRPJYDZEARY-YHROSDCASA-N 2 1 182.311 1.764 10 0 ADAEMP CC[N@@H+](C)C[C@H]1CCCCC[C@H]1[NH3+] 252458165 344898076 /nfs/dbraw/zinc/89/80/76/344898076.db2.gz OKWYRZGIHZESHZ-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCCCC[C@H]1[NH3+] 252458166 344898195 /nfs/dbraw/zinc/89/81/95/344898195.db2.gz OKWYRZGIHZESHZ-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[C@H]1c1[nH+]ccn1C 252469822 344898809 /nfs/dbraw/zinc/89/88/09/344898809.db2.gz YFCJFZSYPCDGSX-DJLDLDEBSA-N 2 1 179.267 1.261 10 0 ADAEMP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cncs1 252469296 344898833 /nfs/dbraw/zinc/89/88/33/344898833.db2.gz RJXNJTCOZRVWAG-CBAPKCEASA-N 2 1 197.307 1.095 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cncs1 252469296 344898835 /nfs/dbraw/zinc/89/88/35/344898835.db2.gz RJXNJTCOZRVWAG-CBAPKCEASA-N 2 1 197.307 1.095 10 0 ADAEMP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cncs1 252469295 344898956 /nfs/dbraw/zinc/89/89/56/344898956.db2.gz RJXNJTCOZRVWAG-APPZFPTMSA-N 2 1 197.307 1.095 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cncs1 252469295 344898958 /nfs/dbraw/zinc/89/89/58/344898958.db2.gz RJXNJTCOZRVWAG-APPZFPTMSA-N 2 1 197.307 1.095 10 0 ADAEMP C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@H]1[NH+](C)C 252474245 344899323 /nfs/dbraw/zinc/89/93/23/344899323.db2.gz ZTQPLIIXEJOCEI-GWOFURMSSA-N 2 1 184.327 1.571 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C 252474322 344899381 /nfs/dbraw/zinc/89/93/81/344899381.db2.gz AXKVQKACRWHSTO-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 252474322 344899383 /nfs/dbraw/zinc/89/93/83/344899383.db2.gz AXKVQKACRWHSTO-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@H]1[NH+](C)C 252474246 344899426 /nfs/dbraw/zinc/89/94/26/344899426.db2.gz ZTQPLIIXEJOCEI-LMLFDSFASA-N 2 1 184.327 1.571 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252551950 344901136 /nfs/dbraw/zinc/90/11/36/344901136.db2.gz BXBOAZJUTLHBQE-DYSSWMIWSA-N 2 1 180.295 1.102 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252557904 344901603 /nfs/dbraw/zinc/90/16/03/344901603.db2.gz NZIMZHQTSIVHMO-DCAQKATOSA-N 2 1 182.311 1.182 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252557905 344901616 /nfs/dbraw/zinc/90/16/16/344901616.db2.gz NZIMZHQTSIVHMO-OUAUKWLOSA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@@H]1[C@@H]2C[NH2+]C[C@H]2C[N@H+]1C1CCC1 252561302 344901683 /nfs/dbraw/zinc/90/16/83/344901683.db2.gz VFOCPMPLHZVXNI-YWVKMMECSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2[C@H]1C 252551975 344901861 /nfs/dbraw/zinc/90/18/61/344901861.db2.gz CBUUNHSKEFHPIN-GRYCIOLGSA-N 2 1 194.322 1.492 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252551977 344901897 /nfs/dbraw/zinc/90/18/97/344901897.db2.gz CBUUNHSKEFHPIN-WOPDTQHZSA-N 2 1 194.322 1.492 10 0 ADAEMP C[C@@H]1[C@H]2C[NH2+]C[C@H]2C[N@H+]1C1CCC1 252561301 344901919 /nfs/dbraw/zinc/90/19/19/344901919.db2.gz VFOCPMPLHZVXNI-WCABBAIRSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 252557907 344901936 /nfs/dbraw/zinc/90/19/36/344901936.db2.gz NZIMZHQTSIVHMO-VWYCJHECSA-N 2 1 182.311 1.182 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@@H]1C 252551976 344901941 /nfs/dbraw/zinc/90/19/41/344901941.db2.gz CBUUNHSKEFHPIN-SRVKXCTJSA-N 2 1 194.322 1.492 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CCC[C@@H]1C 252590083 344903519 /nfs/dbraw/zinc/90/35/19/344903519.db2.gz CMNBESSRBWUUNK-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@@H+]1C(C)(C)C 252593979 344903563 /nfs/dbraw/zinc/90/35/63/344903563.db2.gz GFQQCCUBTRKKRL-LPEHRKFASA-N 2 1 184.327 1.843 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 252592533 344903580 /nfs/dbraw/zinc/90/35/80/344903580.db2.gz FGBRNGCZUSGASI-BBBLOLIVSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CCC[C@@H]1C 252590084 344903632 /nfs/dbraw/zinc/90/36/32/344903632.db2.gz CMNBESSRBWUUNK-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)[C@H]1C 252594553 344903644 /nfs/dbraw/zinc/90/36/44/344903644.db2.gz GQUINWVHTBVPRL-IVZWLZJFSA-N 2 1 170.300 1.452 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CCC[C@H]1C 252590086 344903674 /nfs/dbraw/zinc/90/36/74/344903674.db2.gz CMNBESSRBWUUNK-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)[C@H]1C 252591136 344903694 /nfs/dbraw/zinc/90/36/94/344903694.db2.gz DIYGWMGIQMAXRG-KXUCPTDWSA-N 2 1 170.300 1.325 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CCC[C@H]1C 252590085 344903702 /nfs/dbraw/zinc/90/37/02/344903702.db2.gz CMNBESSRBWUUNK-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)[C@@H](C)[C@H]1C 252592532 344903778 /nfs/dbraw/zinc/90/37/78/344903778.db2.gz FGBRNGCZUSGASI-AEJSXWLSSA-N 2 1 170.300 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@H](C)[C@H]1C 252594777 344903796 /nfs/dbraw/zinc/90/37/96/344903796.db2.gz GWVWMGALMGOKML-GMTAPVOTSA-N 2 1 184.327 1.713 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@H](C)[C@@H]1C 252594778 344903813 /nfs/dbraw/zinc/90/38/13/344903813.db2.gz GWVWMGALMGOKML-HBNTYKKESA-N 2 1 184.327 1.713 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)[C@H]1C 252591138 344903855 /nfs/dbraw/zinc/90/38/55/344903855.db2.gz DIYGWMGIQMAXRG-OPRDCNLKSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252605235 344903973 /nfs/dbraw/zinc/90/39/73/344903973.db2.gz PMLJEEMQRMRBCO-YIZRAAEISA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@H+]1CC1CC1 252600086 344904036 /nfs/dbraw/zinc/90/40/36/344904036.db2.gz LHQYQELUHPKMEX-ATZCPNFKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@@H](C)[C@H]1C 252594779 344904073 /nfs/dbraw/zinc/90/40/73/344904073.db2.gz GWVWMGALMGOKML-OUAUKWLOSA-N 2 1 184.327 1.713 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](C)[C@H]1C 252599646 344904087 /nfs/dbraw/zinc/90/40/87/344904087.db2.gz KYOXUPPZAPMMRM-FXPVBKGRSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@@H+]1[C@H]1C[C@H]1C 252600336 344904095 /nfs/dbraw/zinc/90/40/95/344904095.db2.gz LMKVHSGKDDEVTR-NMUGVGKYSA-N 2 1 182.311 1.452 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](C)[C@@H]1C 252599647 344904160 /nfs/dbraw/zinc/90/41/60/344904160.db2.gz KYOXUPPZAPMMRM-IQJOONFLSA-N 2 1 182.311 1.467 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](C)[C@H]1C 252599648 344904242 /nfs/dbraw/zinc/90/42/42/344904242.db2.gz KYOXUPPZAPMMRM-WCABBAIRSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252600337 344904279 /nfs/dbraw/zinc/90/42/79/344904279.db2.gz LMKVHSGKDDEVTR-XXFSISAASA-N 2 1 182.311 1.452 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252605234 344904344 /nfs/dbraw/zinc/90/43/44/344904344.db2.gz PMLJEEMQRMRBCO-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]([C@H]2C[C@H]2C)[C@@H]1C 252600335 344904368 /nfs/dbraw/zinc/90/43/68/344904368.db2.gz LMKVHSGKDDEVTR-APLZJWDSSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1CCCC[C@H]1C 252606739 344904593 /nfs/dbraw/zinc/90/45/93/344904593.db2.gz QVNSDLPZPFYUEJ-WOPDTQHZSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)[C@H]1C 252608657 344904697 /nfs/dbraw/zinc/90/46/97/344904697.db2.gz SJXNJRFQPIPACH-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CCCC[C@H]1C 252606738 344904733 /nfs/dbraw/zinc/90/47/33/344904733.db2.gz QVNSDLPZPFYUEJ-GRYCIOLGSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@H](C)[C@@H]1C 252608272 344904739 /nfs/dbraw/zinc/90/47/39/344904739.db2.gz SCGMQQBFHGUDAM-QJPTWQEYSA-N 2 1 198.354 1.961 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@H](C)[C@H]1C 252608271 344904790 /nfs/dbraw/zinc/90/47/90/344904790.db2.gz SCGMQQBFHGUDAM-IJLUTSLNSA-N 2 1 198.354 1.961 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C 252609444 344904804 /nfs/dbraw/zinc/90/48/04/344904804.db2.gz TXBVJMQYSIGRPT-BBBLOLIVSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)[C@H]1C 252609443 344904843 /nfs/dbraw/zinc/90/48/43/344904843.db2.gz TXBVJMQYSIGRPT-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@H+]1C1CCC1 252610143 344904861 /nfs/dbraw/zinc/90/48/61/344904861.db2.gz ULDZYGRMCXTYAJ-ATZCPNFKSA-N 2 1 182.311 1.597 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)[C@H]1C 252608655 344904897 /nfs/dbraw/zinc/90/48/97/344904897.db2.gz SJXNJRFQPIPACH-GMTAPVOTSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@H+]1CCCC[C@H]1C 252609446 344905019 /nfs/dbraw/zinc/90/50/19/344905019.db2.gz TXBWATYHXGVRQO-MXWKQRLJSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)[C@H]1C 252608270 344905026 /nfs/dbraw/zinc/90/50/26/344905026.db2.gz SCGMQQBFHGUDAM-GRYCIOLGSA-N 2 1 198.354 1.961 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@@H](C)[C@H]1C 252615263 344905178 /nfs/dbraw/zinc/90/51/78/344905178.db2.gz YWTWRHLORXVBJJ-OUAUKWLOSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@H](C)[C@H]1C 252615262 344905445 /nfs/dbraw/zinc/90/54/45/344905445.db2.gz YWTWRHLORXVBJJ-GMTAPVOTSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H](C)C1 252615784 344905474 /nfs/dbraw/zinc/90/54/74/344905474.db2.gz ZHTQLWPGHBJLIO-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H]2C)C1 252615783 344905500 /nfs/dbraw/zinc/90/55/00/344905500.db2.gz ZHTQLWPGHBJLIO-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[NH+]1C[C@H](C)[C@@H](C)C1 252640305 344905861 /nfs/dbraw/zinc/90/58/61/344905861.db2.gz KSRJYMUYJXUBRA-XHNCKOQMSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C 252630981 344905867 /nfs/dbraw/zinc/90/58/67/344905867.db2.gz AQOFNWZHWADTLC-WHOHXGKFSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2C=C[C@H]([NH3+])C2)C1 252642834 344905965 /nfs/dbraw/zinc/90/59/65/344905965.db2.gz NGAQRROZNGLSJW-MXWKQRLJSA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1C=C[C@H]([NH3+])C1 252646673 344906248 /nfs/dbraw/zinc/90/62/48/344906248.db2.gz SFIBHYIGKFYZAK-MXWKQRLJSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1C/C=C\C[NH3+] 252675136 344907685 /nfs/dbraw/zinc/90/76/85/344907685.db2.gz XGCBBLNVKFEMPC-CJOPTALJSA-N 2 1 182.311 1.622 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 252682475 344907698 /nfs/dbraw/zinc/90/76/98/344907698.db2.gz CCRXKIRSQVVNEL-OKWQPMOJSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1C/C=C/C[NH3+] 252675137 344907789 /nfs/dbraw/zinc/90/77/89/344907789.db2.gz XGCBBLNVKFEMPC-YHROSDCASA-N 2 1 182.311 1.622 10 0 ADAEMP CC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 252668374 344907864 /nfs/dbraw/zinc/90/78/64/344907864.db2.gz VTCYRPUIIZCTCF-JTQLQIEISA-N 2 1 168.284 1.176 10 0 ADAEMP CC[N@H+]1CCC[NH+]2CCC[C@H]2C1 252668374 344907865 /nfs/dbraw/zinc/90/78/65/344907865.db2.gz VTCYRPUIIZCTCF-JTQLQIEISA-N 2 1 168.284 1.176 10 0 ADAEMP CC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 252668374 344907866 /nfs/dbraw/zinc/90/78/66/344907866.db2.gz VTCYRPUIIZCTCF-JTQLQIEISA-N 2 1 168.284 1.176 10 0 ADAEMP CC[NH+]1CCC[N@H+]2CCC[C@H]2C1 252668374 344907867 /nfs/dbraw/zinc/90/78/67/344907867.db2.gz VTCYRPUIIZCTCF-JTQLQIEISA-N 2 1 168.284 1.176 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 252682474 344907870 /nfs/dbraw/zinc/90/78/70/344907870.db2.gz CCRXKIRSQVVNEL-HIHHVFROSA-N 2 1 168.284 1.374 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC[C@H](C)C2)C1 252691026 344908741 /nfs/dbraw/zinc/90/87/41/344908741.db2.gz WRPACKFSELNVQQ-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC[C@H](C)C2)C1 252691026 344908744 /nfs/dbraw/zinc/90/87/44/344908744.db2.gz WRPACKFSELNVQQ-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C)C2)C1 252691027 344908853 /nfs/dbraw/zinc/90/88/53/344908853.db2.gz WRPACKFSELNVQQ-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@H](C)C2)C1 252691027 344908857 /nfs/dbraw/zinc/90/88/57/344908857.db2.gz WRPACKFSELNVQQ-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@](C)(C[NH3+])C1CC1 252691344 344908920 /nfs/dbraw/zinc/90/89/20/344908920.db2.gz XRHDRADADJRXCC-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC2(C[NH3+])CC2)[C@H]1C 252698002 344908988 /nfs/dbraw/zinc/90/89/88/344908988.db2.gz KOVNLCSKJZADKO-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C)C2)C1 252691028 344909088 /nfs/dbraw/zinc/90/90/88/344909088.db2.gz WRPACKFSELNVQQ-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC[C@@H](C)C2)C1 252691028 344909090 /nfs/dbraw/zinc/90/90/90/344909090.db2.gz WRPACKFSELNVQQ-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@H](C[NH3+])C1CCCCC1 252690032 344909118 /nfs/dbraw/zinc/90/91/18/344909118.db2.gz SYMRHRGGPKQXQQ-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@H](C[NH3+])C1CCCCC1 252690032 344909120 /nfs/dbraw/zinc/90/91/20/344909120.db2.gz SYMRHRGGPKQXQQ-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1CC1(C[NH3+])CC1 252698001 344909146 /nfs/dbraw/zinc/90/91/46/344909146.db2.gz KOVNLCSKJZADKO-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@](C)(C[NH3+])C1CC1 252691343 344909164 /nfs/dbraw/zinc/90/91/64/344909164.db2.gz XRHDRADADJRXCC-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@H](C[NH3+])C1CCCCC1 252690033 344909236 /nfs/dbraw/zinc/90/92/36/344909236.db2.gz SYMRHRGGPKQXQQ-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H](C[NH3+])C1CCCCC1 252690033 344909239 /nfs/dbraw/zinc/90/92/39/344909239.db2.gz SYMRHRGGPKQXQQ-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C(N)=[NH2+])[NH+]1C[C@H]2CCC[C@@H]2C1 252707782 344909614 /nfs/dbraw/zinc/90/96/14/344909614.db2.gz YDOXFCJFISHWLN-IWSPIJDZSA-N 2 1 181.283 1.043 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C 252714558 344909637 /nfs/dbraw/zinc/90/96/37/344909637.db2.gz SFYGALGMGCWJHX-CHWFTXMASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C 252714558 344909638 /nfs/dbraw/zinc/90/96/38/344909638.db2.gz SFYGALGMGCWJHX-CHWFTXMASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CC[C@@H](C)C2)C1 252717150 344910093 /nfs/dbraw/zinc/91/00/93/344910093.db2.gz APOQNLVRAKYUKQ-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 252714559 344910107 /nfs/dbraw/zinc/91/01/07/344910107.db2.gz SFYGALGMGCWJHX-VLEAKVRGSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 252714559 344910108 /nfs/dbraw/zinc/91/01/08/344910108.db2.gz SFYGALGMGCWJHX-VLEAKVRGSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CC[C@H](C)C2)C1 252717148 344910215 /nfs/dbraw/zinc/91/02/15/344910215.db2.gz APOQNLVRAKYUKQ-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 252714561 344910307 /nfs/dbraw/zinc/91/03/07/344910307.db2.gz SFYGALGMGCWJHX-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 252714561 344910308 /nfs/dbraw/zinc/91/03/08/344910308.db2.gz SFYGALGMGCWJHX-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 252714560 344910345 /nfs/dbraw/zinc/91/03/45/344910345.db2.gz SFYGALGMGCWJHX-ZNSHCXBVSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 252714560 344910346 /nfs/dbraw/zinc/91/03/46/344910346.db2.gz SFYGALGMGCWJHX-ZNSHCXBVSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252757648 344912429 /nfs/dbraw/zinc/91/24/29/344912429.db2.gz CCYTWJAQOFOMDY-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252757645 344912845 /nfs/dbraw/zinc/91/28/45/344912845.db2.gz CCYTWJAQOFOMDY-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 252767287 344913199 /nfs/dbraw/zinc/91/31/99/344913199.db2.gz GNDKYTQQBIVKPB-HBNTYKKESA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H](C)C2(C)CC2)C1 252767286 344913316 /nfs/dbraw/zinc/91/33/16/344913316.db2.gz GNDKYTQQBIVKPB-AXFHLTTASA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252778751 344913884 /nfs/dbraw/zinc/91/38/84/344913884.db2.gz LLATYDIRAMZWFE-GARJFASQSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252778750 344913995 /nfs/dbraw/zinc/91/39/95/344913995.db2.gz LLATYDIRAMZWFE-DCAQKATOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC[C@@H]1CC[N@@H+]([C@H](C)C(N)=[NH2+])C1 252852586 344915857 /nfs/dbraw/zinc/91/58/57/344915857.db2.gz ISXFBLPIHJRSJS-HTQZYQBOSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H](C)C(N)=[NH2+])C1 252852586 344915861 /nfs/dbraw/zinc/91/58/61/344915861.db2.gz ISXFBLPIHJRSJS-HTQZYQBOSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CCC[C@H]1C 252844855 344916098 /nfs/dbraw/zinc/91/60/98/344916098.db2.gz DVDJJIYVXKASMQ-BBBLOLIVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 252839166 344916137 /nfs/dbraw/zinc/91/61/37/344916137.db2.gz ATBMQOGADJQSJK-GRYCIOLGSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@H]([NH3+])C2)C1 252839167 344916149 /nfs/dbraw/zinc/91/61/49/344916149.db2.gz ATBMQOGADJQSJK-WOPDTQHZSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1CC[N@@H+]([C@H](C)C(N)=[NH2+])C1 252852588 344916262 /nfs/dbraw/zinc/91/62/62/344916262.db2.gz ISXFBLPIHJRSJS-SFYZADRCSA-N 2 1 169.272 1.043 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@H](C)C(N)=[NH2+])C1 252852588 344916264 /nfs/dbraw/zinc/91/62/64/344916264.db2.gz ISXFBLPIHJRSJS-SFYZADRCSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@H]1[C@H](C)CCC[N@H+]1CC1C[NH2+]C1 252853447 344916514 /nfs/dbraw/zinc/91/65/14/344916514.db2.gz JDWKEEKEXYFCII-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 252857632 344916525 /nfs/dbraw/zinc/91/65/25/344916525.db2.gz LKXWTQMCXQPTNO-QJPTWQEYSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC2C[NH2+]C2)[C@H]1C 252853446 344916587 /nfs/dbraw/zinc/91/65/87/344916587.db2.gz JDWKEEKEXYFCII-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@H]2C=C[C@H]([NH3+])C2)C1 252865615 344916599 /nfs/dbraw/zinc/91/65/99/344916599.db2.gz PWMPFZIJXXSJBT-UTUOFQBUSA-N 2 1 194.322 1.622 10 0 ADAEMP CC[C@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 252856805 344916647 /nfs/dbraw/zinc/91/66/47/344916647.db2.gz LAHBANPTCGDYCX-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 252857634 344916770 /nfs/dbraw/zinc/91/67/70/344916770.db2.gz LKXWTQMCXQPTNO-UTUOFQBUSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=[NH2+])C1 252861008 344916799 /nfs/dbraw/zinc/91/67/99/344916799.db2.gz NGLCRWVKFZJSNV-RKDXNWHRSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@H](C)C(N)=[NH2+])C1 252861008 344916800 /nfs/dbraw/zinc/91/68/00/344916800.db2.gz NGLCRWVKFZJSNV-RKDXNWHRSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 252857633 344916818 /nfs/dbraw/zinc/91/68/18/344916818.db2.gz LKXWTQMCXQPTNO-TUAOUCFPSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+]([C@H](C)C(N)=[NH2+])C1 252861007 344916881 /nfs/dbraw/zinc/91/68/81/344916881.db2.gz NGLCRWVKFZJSNV-BDAKNGLRSA-N 2 1 183.299 1.289 10 0 ADAEMP CC(C)[C@H]1CC[N@H+]([C@H](C)C(N)=[NH2+])C1 252861007 344916882 /nfs/dbraw/zinc/91/68/82/344916882.db2.gz NGLCRWVKFZJSNV-BDAKNGLRSA-N 2 1 183.299 1.289 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 252868220 344917355 /nfs/dbraw/zinc/91/73/55/344917355.db2.gz RKDMIRONVBXHME-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@@H]2C[NH3+])C1 252868218 344917441 /nfs/dbraw/zinc/91/74/41/344917441.db2.gz RKDMIRONVBXHME-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 252868221 344917494 /nfs/dbraw/zinc/91/74/94/344917494.db2.gz RKDMIRONVBXHME-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[NH2+]CCN([C@H](C)C(C)(C)C)C1 252900319 344918669 /nfs/dbraw/zinc/91/86/69/344918669.db2.gz JASATXYDHXSQPD-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP CC1CC([N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1 252909875 344918724 /nfs/dbraw/zinc/91/87/24/344918724.db2.gz BGUAISCPDMZYII-WYNUPADASA-N 2 1 182.311 1.597 10 0 ADAEMP CC1CC([N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1 252909874 344918759 /nfs/dbraw/zinc/91/87/59/344918759.db2.gz BGUAISCPDMZYII-WIFZPCQCSA-N 2 1 182.311 1.597 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CC=CC2)C[C@H]1C 252909681 344918868 /nfs/dbraw/zinc/91/88/68/344918868.db2.gz ARZSEYQKXFDIOW-ZYHUDNBSSA-N 2 1 194.322 1.635 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 252931408 344919055 /nfs/dbraw/zinc/91/90/55/344919055.db2.gz BGQRFNRNYXFUIB-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 252931409 344919212 /nfs/dbraw/zinc/91/92/12/344919212.db2.gz BGQRFNRNYXFUIB-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H](C)C2)CC[NH2+]1 252931410 344919247 /nfs/dbraw/zinc/91/92/47/344919247.db2.gz BGQRFNRNYXFUIB-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CC[NH2+][C@H](C)C1 252936577 344919814 /nfs/dbraw/zinc/91/98/14/344919814.db2.gz GEIFMYVVRNYQAS-VWYCJHECSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[N@H+](C2(C)CC2)CC[C@H]1[NH3+] 252937221 344919874 /nfs/dbraw/zinc/91/98/74/344919874.db2.gz GRFYEDWQGDCPAY-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C)CC[NH2+]1 252936574 344919924 /nfs/dbraw/zinc/91/99/24/344919924.db2.gz GEIFMYVVRNYQAS-MXWKQRLJSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 252936575 344920034 /nfs/dbraw/zinc/92/00/34/344920034.db2.gz GEIFMYVVRNYQAS-OUAUKWLOSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C)CC[NH2+]1 252936572 344920113 /nfs/dbraw/zinc/92/01/13/344920113.db2.gz GEIFMYVVRNYQAS-GMTAPVOTSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1C[N@H+](C2(C)CC2)CC[C@H]1[NH3+] 252937220 344920166 /nfs/dbraw/zinc/92/01/66/344920166.db2.gz GRFYEDWQGDCPAY-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[N@H+](C2(C)CCC2)CC[C@H]1[NH3+] 252939304 344920722 /nfs/dbraw/zinc/92/07/22/344920722.db2.gz IBVSMLJFJYBKJH-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@H+](C2(C)CCC2)CC[C@H]1[NH3+] 252939301 344920747 /nfs/dbraw/zinc/92/07/47/344920747.db2.gz IBVSMLJFJYBKJH-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2(C)CC2)[C@H](C)C1 252956007 344921804 /nfs/dbraw/zinc/92/18/04/344921804.db2.gz RNQUCBWJMGNJRN-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2(C)CC2)[C@H](C)C1 252956006 344921944 /nfs/dbraw/zinc/92/19/44/344921944.db2.gz RNQUCBWJMGNJRN-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252962389 344922963 /nfs/dbraw/zinc/92/29/63/344922963.db2.gz OYVWVRTZZVSKDA-GMTAPVOTSA-N 2 1 184.327 1.605 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2(C)CC2)C[C@H]1C 252964015 344922990 /nfs/dbraw/zinc/92/29/90/344922990.db2.gz WLMVXPYJFHZYMI-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2(C)CC2)C[C@H]1C 252964014 344923177 /nfs/dbraw/zinc/92/31/77/344923177.db2.gz WLMVXPYJFHZYMI-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])C1CC1 252963381 344923267 /nfs/dbraw/zinc/92/32/67/344923267.db2.gz PYGBCDMEOFOZOJ-WCABBAIRSA-N 2 1 182.311 1.359 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)CC[NH3+])CCS1 252982748 344923816 /nfs/dbraw/zinc/92/38/16/344923816.db2.gz XVEAQXQYUHOPQM-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[N@@H+](C1CCC1)[C@H]1CC[C@H]1C[NH3+] 252982828 344923906 /nfs/dbraw/zinc/92/39/06/344923906.db2.gz YDXRMPVFEZIHHK-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+](C1CCC1)[C@@H]1CC[C@H]1C[NH3+] 252982827 344923990 /nfs/dbraw/zinc/92/39/90/344923990.db2.gz YDXRMPVFEZIHHK-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)C2CCC2)C1 252978793 344924034 /nfs/dbraw/zinc/92/40/34/344924034.db2.gz DSQVZSVSAMIBFO-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H](C)C2CCC2)C1 252978793 344924035 /nfs/dbraw/zinc/92/40/35/344924035.db2.gz DSQVZSVSAMIBFO-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+](CCC(N)=[NH2+])CC[C@H]1C 253062941 344925763 /nfs/dbraw/zinc/92/57/63/344925763.db2.gz GGDAAYUYZSEYEU-RKDXNWHRSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@@H]1C[N@H+](CC2C[NH2+]C2)CC[C@H]1C 253072459 344925902 /nfs/dbraw/zinc/92/59/02/344925902.db2.gz OAMYYEGQFQNJPK-NXEZZACHSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2C[NH2+]C2)C[C@H]1C 253072460 344926094 /nfs/dbraw/zinc/92/60/94/344926094.db2.gz OAMYYEGQFQNJPK-VHSXEESVSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC(N)=[NH2+])C[C@H]1C 253062940 344926150 /nfs/dbraw/zinc/92/61/50/344926150.db2.gz GGDAAYUYZSEYEU-DTWKUNHWSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)CC[C@H]1C 253079890 344926362 /nfs/dbraw/zinc/92/63/62/344926362.db2.gz UZRRGASPVGAFME-NKVNRFPTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@@H](C)[C@H](C)C1 253078876 344926372 /nfs/dbraw/zinc/92/63/72/344926372.db2.gz UCTGDYJUVSDRSU-MXWKQRLJSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1C[C@H](C)C[C@H]1C 253077492 344926376 /nfs/dbraw/zinc/92/63/76/344926376.db2.gz SEDCDWKPXIGYPU-PRJMDXOYSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@H](C)C[C@H]1C 253077492 344926377 /nfs/dbraw/zinc/92/63/77/344926377.db2.gz SEDCDWKPXIGYPU-PRJMDXOYSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC([NH3+])C2)C[C@H]1C 253079889 344926397 /nfs/dbraw/zinc/92/63/97/344926397.db2.gz UZRRGASPVGAFME-IZUQBHJASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 253076904 344926508 /nfs/dbraw/zinc/92/65/08/344926508.db2.gz RPYSIQCOWMOADB-YTWAJWBKSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C)C1 253079369 344926591 /nfs/dbraw/zinc/92/65/91/344926591.db2.gz UNMQDQDLCZFPHU-KKOKHZNYSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1CC[N@H+](C[C@@H](C)[C@H](C)[NH3+])C[C@H]1C 253079370 344926570 /nfs/dbraw/zinc/92/65/70/344926570.db2.gz UNMQDQDLCZFPHU-QCNOEVLYSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@H]([NH3+])C1 253076903 344926624 /nfs/dbraw/zinc/92/66/24/344926624.db2.gz RPYSIQCOWMOADB-RCWTZXSCSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@H]1C[NH3+] 253078588 344926685 /nfs/dbraw/zinc/92/66/85/344926685.db2.gz TWDOYXDZYQLFBC-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@H](C)C(N)=[NH2+] 253077491 344926700 /nfs/dbraw/zinc/92/67/00/344926700.db2.gz SEDCDWKPXIGYPU-GJMOJQLCSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1[C@H](C)C(N)=[NH2+] 253077491 344926702 /nfs/dbraw/zinc/92/67/02/344926702.db2.gz SEDCDWKPXIGYPU-GJMOJQLCSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@@H]1CC[C@H]1C[NH3+] 253078589 344926739 /nfs/dbraw/zinc/92/67/39/344926739.db2.gz TWDOYXDZYQLFBC-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@H+]([C@H](C)C(N)=[NH2+])C1 253077490 344926755 /nfs/dbraw/zinc/92/67/55/344926755.db2.gz SEDCDWKPXIGYPU-BWZBUEFSSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+]([C@H](C)C(N)=[NH2+])C1 253077490 344926757 /nfs/dbraw/zinc/92/67/57/344926757.db2.gz SEDCDWKPXIGYPU-BWZBUEFSSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H](C)[C@@H](C)C1 253078875 344926784 /nfs/dbraw/zinc/92/67/84/344926784.db2.gz UCTGDYJUVSDRSU-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CC[C@H](C)[C@H](C)C1 253078874 344926809 /nfs/dbraw/zinc/92/68/09/344926809.db2.gz UCTGDYJUVSDRSU-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]1[C@H]1CC[C@@H]1C[NH3+] 253078590 344926842 /nfs/dbraw/zinc/92/68/42/344926842.db2.gz TWDOYXDZYQLFBC-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C)C1 253079371 344926871 /nfs/dbraw/zinc/92/68/71/344926871.db2.gz UNMQDQDLCZFPHU-YFKTTZPYSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CCC(N)=[NH2+] 253098203 344926982 /nfs/dbraw/zinc/92/69/82/344926982.db2.gz NQZAGTGYQIWLFM-BBBLOLIVSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](CCC(N)=[NH2+])[C@@H]1C 253098205 344927151 /nfs/dbraw/zinc/92/71/51/344927151.db2.gz NQZAGTGYQIWLFM-KXUCPTDWSA-N 2 1 197.326 1.679 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](CC(N)=[NH2+])[C@@H]1C 253097782 344927161 /nfs/dbraw/zinc/92/71/61/344927161.db2.gz NFEZOJRFUGOGPM-HRDYMLBCSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+](CC(N)=[NH2+])[C@@H]1C 253097782 344927162 /nfs/dbraw/zinc/92/71/62/344927162.db2.gz NFEZOJRFUGOGPM-HRDYMLBCSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@H](C)C[N@H+]1CC(N)=[NH2+] 253097781 344927276 /nfs/dbraw/zinc/92/72/76/344927276.db2.gz NFEZOJRFUGOGPM-HLTSFMKQSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@H](C)C[N@@H+]1CC(N)=[NH2+] 253097781 344927278 /nfs/dbraw/zinc/92/72/78/344927278.db2.gz NFEZOJRFUGOGPM-HLTSFMKQSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CC1 253123084 344927620 /nfs/dbraw/zinc/92/76/20/344927620.db2.gz JRMBYNLECXKERJ-IJLUTSLNSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CC1 253123085 344927762 /nfs/dbraw/zinc/92/77/62/344927762.db2.gz JRMBYNLECXKERJ-SRVKXCTJSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H](C[NH2+][C@H]2CC2(C)C)C1 253162838 344928569 /nfs/dbraw/zinc/92/85/69/344928569.db2.gz WGKCYVODTPZTAQ-MXWKQRLJSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[NH2+][C@H]2CC2(C)C)C1 253162839 344928832 /nfs/dbraw/zinc/92/88/32/344928832.db2.gz WGKCYVODTPZTAQ-VWYCJHECSA-N 2 1 196.338 1.763 10 0 ADAEMP CC1=CC[N@H+]([C@H]2CCC[C@H]2C[NH3+])CC1 253166079 344929129 /nfs/dbraw/zinc/92/91/29/344929129.db2.gz ZRVCVXCUCZMNNW-RYUDHWBXSA-N 2 1 194.322 1.766 10 0 ADAEMP CC1=CC[N@H+]([C@@H]2CCC[C@H]2C[NH3+])CC1 253166078 344929152 /nfs/dbraw/zinc/92/91/52/344929152.db2.gz ZRVCVXCUCZMNNW-NWDGAFQWSA-N 2 1 194.322 1.766 10 0 ADAEMP 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C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CC[C@H]1C 253206911 344931580 /nfs/dbraw/zinc/93/15/80/344931580.db2.gz XIMFLRYVTPZMNI-KXUCPTDWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CC[C@H]1C 253206911 344931581 /nfs/dbraw/zinc/93/15/81/344931581.db2.gz XIMFLRYVTPZMNI-KXUCPTDWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1NCCC[C@H]1[N@@H+]1CCC[C@H]1C 253201994 344931643 /nfs/dbraw/zinc/93/16/43/344931643.db2.gz UTIIDGYZMTXFIQ-OUAUKWLOSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1CS[C@@]2(CC[NH2+]C[C@H]2C)[NH2+]1 253212776 344932012 /nfs/dbraw/zinc/93/20/12/344932012.db2.gz BTUKZXFJZMGVFE-IWSPIJDZSA-N 2 1 186.324 1.037 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1CC 253246383 344932093 /nfs/dbraw/zinc/93/20/93/344932093.db2.gz GRMVRDBYKGVUFQ-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1C[NH2+][C@]2(CC[NH2+]C[C@H]2C)S1 253236742 344932122 /nfs/dbraw/zinc/93/21/22/344932122.db2.gz FEYNFBJSNXWFOP-IWSPIJDZSA-N 2 1 186.324 1.037 10 0 ADAEMP C[C@@H]1C[NH2+][C@@]2(CC[NH2+]C[C@H]2C)S1 253236740 344932161 /nfs/dbraw/zinc/93/21/61/344932161.db2.gz FEYNFBJSNXWFOP-HLTSFMKQSA-N 2 1 186.324 1.037 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1CC 253246382 344932166 /nfs/dbraw/zinc/93/21/66/344932166.db2.gz GRMVRDBYKGVUFQ-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1CS[C@]2(CC[NH2+]C[C@H]2C)[NH2+]1 253212774 344932327 /nfs/dbraw/zinc/93/23/27/344932327.db2.gz BTUKZXFJZMGVFE-HLTSFMKQSA-N 2 1 186.324 1.037 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@H]1N1CCCC1=[NH2+] 253290537 344932496 /nfs/dbraw/zinc/93/24/96/344932496.db2.gz PWBPHIMRYWCDFR-VHSXEESVSA-N 2 1 195.310 1.400 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N1CCCC1=[NH2+] 253290536 344932847 /nfs/dbraw/zinc/93/28/47/344932847.db2.gz PWBPHIMRYWCDFR-NXEZZACHSA-N 2 1 195.310 1.400 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@@H+](C)C[C@H]1C 253305471 344933137 /nfs/dbraw/zinc/93/31/37/344933137.db2.gz SKIUGIKJDCHJKX-BDAKNGLRSA-N 2 1 183.299 1.303 10 0 ADAEMP CC[C@H]1C[N@@H+](CC)CC[C@H]1[NH2+]C 253312978 344933370 /nfs/dbraw/zinc/93/33/70/344933370.db2.gz WLUUDEBDPJWSAA-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H]1C[N@@H+](CC)CC[C@H]1[NH2+]C 253312977 344933472 /nfs/dbraw/zinc/93/34/72/344933472.db2.gz WLUUDEBDPJWSAA-NXEZZACHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@@H+](C)C[C@H]1C 253305472 344933562 /nfs/dbraw/zinc/93/35/62/344933562.db2.gz SKIUGIKJDCHJKX-RKDXNWHRSA-N 2 1 183.299 1.303 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]3C[C@@H]32)C1 253619120 344935038 /nfs/dbraw/zinc/93/50/38/344935038.db2.gz FXSUQZIMRAJGSN-WHOHXGKFSA-N 2 1 194.322 1.456 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]3C[C@H]32)C1 253619119 344935114 /nfs/dbraw/zinc/93/51/14/344935114.db2.gz FXSUQZIMRAJGSN-NNYUYHANSA-N 2 1 194.322 1.456 10 0 ADAEMP C[C@H]1C[N@H+](C/C=C/Cl)CC[C@H]1[NH3+] 253631035 344935521 /nfs/dbraw/zinc/93/55/21/344935521.db2.gz QGKSGULOIJCEQY-NGWLPCGSSA-N 2 1 188.702 1.408 10 0 ADAEMP C[C@H]1C[N@@H+](C/C=C/Cl)CC[C@H]1[NH3+] 253631035 344935522 /nfs/dbraw/zinc/93/55/22/344935522.db2.gz QGKSGULOIJCEQY-NGWLPCGSSA-N 2 1 188.702 1.408 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H]2C[NH2+]C[C@H]2[C@H]1C 253630816 344935560 /nfs/dbraw/zinc/93/55/60/344935560.db2.gz BXBOAZJUTLHBQE-QDVNPKLESA-N 2 1 180.295 1.102 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 258758643 344945488 /nfs/dbraw/zinc/94/54/88/344945488.db2.gz AMQIGHGPNIUCJR-UWVGGRQHSA-N 2 1 196.319 1.718 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccs1 258758637 344945929 /nfs/dbraw/zinc/94/59/29/344945929.db2.gz AMQIGHGPNIUCJR-NXEZZACHSA-N 2 1 196.319 1.718 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccs1 258758650 344946004 /nfs/dbraw/zinc/94/60/04/344946004.db2.gz AMQIGHGPNIUCJR-VHSXEESVSA-N 2 1 196.319 1.718 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@H]2[N@H+](CCC2CC2)C1 299892897 344957464 /nfs/dbraw/zinc/95/74/64/344957464.db2.gz FNARGDCDPRWLAL-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@H]2[N@@H+](CCC2CC2)C1 299892897 344957467 /nfs/dbraw/zinc/95/74/67/344957467.db2.gz FNARGDCDPRWLAL-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@H](C)[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299892757 344957590 /nfs/dbraw/zinc/95/75/90/344957590.db2.gz CWOAIPXZMWXMPD-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299892757 344957593 /nfs/dbraw/zinc/95/75/93/344957593.db2.gz CWOAIPXZMWXMPD-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299892759 344957657 /nfs/dbraw/zinc/95/76/57/344957657.db2.gz CWOAIPXZMWXMPD-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299892759 344957660 /nfs/dbraw/zinc/95/76/60/344957660.db2.gz CWOAIPXZMWXMPD-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C1C[C@H]2C[NH2+]C[C@H]2[N@H+](CCC2CC2)C1 299892896 344957877 /nfs/dbraw/zinc/95/78/77/344957877.db2.gz FNARGDCDPRWLAL-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2C[NH2+]C[C@H]2[N@@H+](CCC2CC2)C1 299892896 344957880 /nfs/dbraw/zinc/95/78/80/344957880.db2.gz FNARGDCDPRWLAL-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[C@H](C)[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299892758 344957907 /nfs/dbraw/zinc/95/79/07/344957907.db2.gz CWOAIPXZMWXMPD-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299892758 344957909 /nfs/dbraw/zinc/95/79/09/344957909.db2.gz CWOAIPXZMWXMPD-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP CCCC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894716 344958158 /nfs/dbraw/zinc/95/81/58/344958158.db2.gz ZNZCJDQBXSNGQP-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894716 344958160 /nfs/dbraw/zinc/95/81/60/344958160.db2.gz ZNZCJDQBXSNGQP-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C1CC([N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 299894022 344958294 /nfs/dbraw/zinc/95/82/94/344958294.db2.gz RPIGCVQSIIPZLF-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 299894022 344958296 /nfs/dbraw/zinc/95/82/96/344958296.db2.gz RPIGCVQSIIPZLF-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC([N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 299894023 344958327 /nfs/dbraw/zinc/95/83/27/344958327.db2.gz RPIGCVQSIIPZLF-MWLCHTKSSA-N 2 1 180.295 1.223 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299893700 344958380 /nfs/dbraw/zinc/95/83/80/344958380.db2.gz NZCDQGDCMHTREQ-QJPTWQEYSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894050 344958389 /nfs/dbraw/zinc/95/83/89/344958389.db2.gz RYHSIKHNJIDWKU-NXEZZACHSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894050 344958393 /nfs/dbraw/zinc/95/83/93/344958393.db2.gz RYHSIKHNJIDWKU-NXEZZACHSA-N 2 1 168.284 1.079 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894115 344958493 /nfs/dbraw/zinc/95/84/93/344958493.db2.gz SQHPKNJAWNQTEO-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894114 344958506 /nfs/dbraw/zinc/95/85/06/344958506.db2.gz SQHPKNJAWNQTEO-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 299893702 344958516 /nfs/dbraw/zinc/95/85/16/344958516.db2.gz NZCDQGDCMHTREQ-SRVKXCTJSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893701 344958651 /nfs/dbraw/zinc/95/86/51/344958651.db2.gz NZCDQGDCMHTREQ-SDDRHHMPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)C[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894613 344958655 /nfs/dbraw/zinc/95/86/55/344958655.db2.gz YHLGRYUUHDOSJZ-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 299894613 344958657 /nfs/dbraw/zinc/95/86/57/344958657.db2.gz YHLGRYUUHDOSJZ-GHMZBOCLSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299896157 344959076 /nfs/dbraw/zinc/95/90/76/344959076.db2.gz LZPHFDBVLJIOGW-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@H]21 299896157 344959079 /nfs/dbraw/zinc/95/90/79/344959079.db2.gz LZPHFDBVLJIOGW-UTUOFQBUSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299896158 344959198 /nfs/dbraw/zinc/95/91/98/344959198.db2.gz LZPHFDBVLJIOGW-WOPDTQHZSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1[NH2+]C[C@H]2CCC[C@@H]21 299896158 344959200 /nfs/dbraw/zinc/95/92/00/344959200.db2.gz LZPHFDBVLJIOGW-WOPDTQHZSA-N 2 1 196.338 1.715 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@H]2[N@H+](CC2CC2)C1 299985820 344961486 /nfs/dbraw/zinc/96/14/86/344961486.db2.gz LHTBPLUREGPVRU-GHMZBOCLSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@@H]2C[NH2+]C[C@H]2[N@@H+](CC2CC2)C1 299985820 344961487 /nfs/dbraw/zinc/96/14/87/344961487.db2.gz LHTBPLUREGPVRU-GHMZBOCLSA-N 2 1 180.295 1.080 10 0 ADAEMP CC1CC([N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1 300014549 344962605 /nfs/dbraw/zinc/96/26/05/344962605.db2.gz PZIWQRSZEBLBDB-WIFZPCQCSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1CC([N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1 300014550 344962739 /nfs/dbraw/zinc/96/27/39/344962739.db2.gz PZIWQRSZEBLBDB-WYNUPADASA-N 2 1 182.311 1.454 10 0 ADAEMP C1C[NH2+][C@@H]([C@@H]2CCC[N@H+]2C2CC2)C1 300035952 344963325 /nfs/dbraw/zinc/96/33/25/344963325.db2.gz UJRAQQFVKWNAAY-MNOVXSKESA-N 2 1 180.295 1.365 10 0 ADAEMP C1C[NH2+][C@@H]([C@@H]2CCC[N@@H+]2C2CC2)C1 300035952 344963326 /nfs/dbraw/zinc/96/33/26/344963326.db2.gz UJRAQQFVKWNAAY-MNOVXSKESA-N 2 1 180.295 1.365 10 0 ADAEMP CC[C@@H]1CC[N@H+](C)[C@H](CN)C1 300032296 344963528 /nfs/dbraw/zinc/96/35/28/344963528.db2.gz VBWUYHMJWRSMRN-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)[C@H](CN)C1 300032296 344963530 /nfs/dbraw/zinc/96/35/30/344963530.db2.gz VBWUYHMJWRSMRN-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@H+](C)[C@H](C[NH3+])C1 300032296 344963532 /nfs/dbraw/zinc/96/35/32/344963532.db2.gz VBWUYHMJWRSMRN-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C)[C@H](C[NH3+])C1 300032296 344963534 /nfs/dbraw/zinc/96/35/34/344963534.db2.gz VBWUYHMJWRSMRN-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@H+](C)[C@H](CN)C1 300032297 344963540 /nfs/dbraw/zinc/96/35/40/344963540.db2.gz VBWUYHMJWRSMRN-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)[C@H](CN)C1 300032297 344963541 /nfs/dbraw/zinc/96/35/41/344963541.db2.gz VBWUYHMJWRSMRN-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@H+](C)[C@H](C[NH3+])C1 300032297 344963544 /nfs/dbraw/zinc/96/35/44/344963544.db2.gz VBWUYHMJWRSMRN-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@@H+](C)[C@H](C[NH3+])C1 300032297 344963547 /nfs/dbraw/zinc/96/35/47/344963547.db2.gz VBWUYHMJWRSMRN-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@H+](C2CC2)[C@H](C[NH3+])C1 300035891 344963599 /nfs/dbraw/zinc/96/35/99/344963599.db2.gz QUKHWHADSZQXSD-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H]1CC[N@@H+](C2CC2)[C@H](C[NH3+])C1 300035891 344963602 /nfs/dbraw/zinc/96/36/02/344963602.db2.gz QUKHWHADSZQXSD-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CC2)CC[C@H]1[NH3+] 300035773 344963666 /nfs/dbraw/zinc/96/36/66/344963666.db2.gz LNOLTVJLCXQBKL-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C1C[NH2+][C@@H]([C@H]2CCC[N@H+]2C2CC2)C1 300035951 344963693 /nfs/dbraw/zinc/96/36/93/344963693.db2.gz UJRAQQFVKWNAAY-GHMZBOCLSA-N 2 1 180.295 1.365 10 0 ADAEMP C1C[NH2+][C@@H]([C@H]2CCC[N@@H+]2C2CC2)C1 300035951 344963696 /nfs/dbraw/zinc/96/36/96/344963696.db2.gz UJRAQQFVKWNAAY-GHMZBOCLSA-N 2 1 180.295 1.365 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](C3CC3)C[C@@H]12 300035570 344963701 /nfs/dbraw/zinc/96/37/01/344963701.db2.gz BEMIAIGJYONDBR-JMJZKYOTSA-N 2 1 180.295 1.208 10 0 ADAEMP CC[C@@H]1CC[N@H+](C2CC2)[C@H](C[NH3+])C1 300035890 344963731 /nfs/dbraw/zinc/96/37/31/344963731.db2.gz QUKHWHADSZQXSD-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C2CC2)[C@H](C[NH3+])C1 300035890 344963735 /nfs/dbraw/zinc/96/37/35/344963735.db2.gz QUKHWHADSZQXSD-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H]1C[N@H+](C2CC2)CC[C@H]1[NH3+] 300035774 344963811 /nfs/dbraw/zinc/96/38/11/344963811.db2.gz LNOLTVJLCXQBKL-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](C3CC3)C[C@H]21 300035569 344963832 /nfs/dbraw/zinc/96/38/32/344963832.db2.gz BEMIAIGJYONDBR-FBIMIBRVSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC2)[C@H](C[NH3+])C1 300040468 344964602 /nfs/dbraw/zinc/96/46/02/344964602.db2.gz SHUHWOVOBVVVTB-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@@H+](C2CC2)[C@H](C[NH3+])C1 300040468 344964604 /nfs/dbraw/zinc/96/46/04/344964604.db2.gz SHUHWOVOBVVVTB-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC2)[C@H](C[NH3+])C1 300040467 344964627 /nfs/dbraw/zinc/96/46/27/344964627.db2.gz SHUHWOVOBVVVTB-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@@H+](C2CC2)[C@H](C[NH3+])C1 300040467 344964631 /nfs/dbraw/zinc/96/46/31/344964631.db2.gz SHUHWOVOBVVVTB-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC([N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 300046905 344965842 /nfs/dbraw/zinc/96/58/42/344965842.db2.gz AZSFOWGDMUJNLH-POSLAHMBSA-N 2 1 194.322 1.469 10 0 ADAEMP CC1CC([N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)C1 300046905 344965843 /nfs/dbraw/zinc/96/58/43/344965843.db2.gz AZSFOWGDMUJNLH-POSLAHMBSA-N 2 1 194.322 1.469 10 0 ADAEMP CCSCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 300047463 344965915 /nfs/dbraw/zinc/96/59/15/344965915.db2.gz DWYZUCUHNRXFCK-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CCSCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300047463 344965918 /nfs/dbraw/zinc/96/59/18/344965918.db2.gz DWYZUCUHNRXFCK-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CCCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300048130 344966073 /nfs/dbraw/zinc/96/60/73/344966073.db2.gz HTMOSHHXOXADSI-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]3C[NH2+]C[C@H]3[C@H]2C)C1 300047039 344966250 /nfs/dbraw/zinc/96/62/50/344966250.db2.gz CBCNWEDBTPHZJT-ZVCXTHFISA-N 2 1 194.322 1.325 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)C2CC2)C[C@H]1[NH3+] 300047076 344966256 /nfs/dbraw/zinc/96/62/56/344966256.db2.gz CGVQLJMPXZFUJB-NQMVMOMDSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3[C@H]2C)C1 300047038 344966313 /nfs/dbraw/zinc/96/63/13/344966313.db2.gz CBCNWEDBTPHZJT-RXUZKVILSA-N 2 1 194.322 1.325 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300047075 344966440 /nfs/dbraw/zinc/96/64/40/344966440.db2.gz CGVQLJMPXZFUJB-KHQFGBGNSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]3C[NH2+]C[C@H]3[C@@H]2C)C1 300047037 344966450 /nfs/dbraw/zinc/96/64/50/344966450.db2.gz CBCNWEDBTPHZJT-MNALBRSASA-N 2 1 194.322 1.325 10 0 ADAEMP CC1CC([N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 300046906 344966469 /nfs/dbraw/zinc/96/64/69/344966469.db2.gz AZSFOWGDMUJNLH-RUJICJSRSA-N 2 1 194.322 1.469 10 0 ADAEMP CC1CC([N@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)C1 300046906 344966471 /nfs/dbraw/zinc/96/64/71/344966471.db2.gz AZSFOWGDMUJNLH-RUJICJSRSA-N 2 1 194.322 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)C[C@@H]1[NH3+] 300049515 344966698 /nfs/dbraw/zinc/96/66/98/344966698.db2.gz SIWCACPUPHOQRI-VWYCJHECSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@@H]1[NH3+] 300049515 344966701 /nfs/dbraw/zinc/96/67/01/344966701.db2.gz SIWCACPUPHOQRI-VWYCJHECSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)C[C@H]1[NH3+] 300049514 344966725 /nfs/dbraw/zinc/96/67/25/344966725.db2.gz SIWCACPUPHOQRI-OUAUKWLOSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@H]1[NH3+] 300049514 344966726 /nfs/dbraw/zinc/96/67/26/344966726.db2.gz SIWCACPUPHOQRI-OUAUKWLOSA-N 2 1 180.295 1.374 10 0 ADAEMP CC1CC([N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)C1 300048505 344966764 /nfs/dbraw/zinc/96/67/64/344966764.db2.gz KRCCWURXSROZFG-VGRIYTJTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@H]1[NH3+] 300049513 344966988 /nfs/dbraw/zinc/96/69/88/344966988.db2.gz SIWCACPUPHOQRI-GMTAPVOTSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@H]1[NH3+] 300049513 344966991 /nfs/dbraw/zinc/96/69/91/344966991.db2.gz SIWCACPUPHOQRI-GMTAPVOTSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCCC2)C[C@H]1[NH3+] 300049413 344967240 /nfs/dbraw/zinc/96/72/40/344967240.db2.gz RNMZRCMRGDEUIE-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1CC([N@H+]2CC[C@H](C)[C@H]([NH3+])C2)C1 300048504 344967376 /nfs/dbraw/zinc/96/73/76/344967376.db2.gz KRCCWURXSROZFG-QONHTCSSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCC2)C[C@H]1[NH3+] 300050127 344967493 /nfs/dbraw/zinc/96/74/93/344967493.db2.gz XJYRTBKXYDPYQL-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCC2)C[C@H]1[NH3+] 300049711 344967596 /nfs/dbraw/zinc/96/75/96/344967596.db2.gz UJYWCHJRJWQQSF-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC([N@H+]2C[C@H](C)[C@H]([NH3+])C2)C1 300049636 344967626 /nfs/dbraw/zinc/96/76/26/344967626.db2.gz TZEUCUYTKOVSET-RVXWLBMTSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1CC([N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 300049635 344967653 /nfs/dbraw/zinc/96/76/53/344967653.db2.gz TZEUCUYTKOVSET-QLVNRRSVSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@H+](C2CCCC2)C[C@H]1[NH3+] 300049712 344967895 /nfs/dbraw/zinc/96/78/95/344967895.db2.gz UJYWCHJRJWQQSF-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP F[C@@H]([C@@H]1CCC[NH2+]1)[C@H]1CCCC[NH2+]1 300058214 344968757 /nfs/dbraw/zinc/96/87/57/344968757.db2.gz WCWXXYHQXPVBOB-KXUCPTDWSA-N 2 1 186.274 1.219 10 0 ADAEMP F[C@H]([C@H]1CCCC[NH2+]1)[C@H]1CCC[NH2+]1 300058215 344968848 /nfs/dbraw/zinc/96/88/48/344968848.db2.gz WCWXXYHQXPVBOB-OPRDCNLKSA-N 2 1 186.274 1.219 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@H]1CCC[NH2+]CC1 300208077 344970582 /nfs/dbraw/zinc/97/05/82/344970582.db2.gz ADLADZICACGTLM-UWVGGRQHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H]1CC[NH2+][C@H](C)C1 300209097 344970706 /nfs/dbraw/zinc/97/07/06/344970706.db2.gz FQROMONQUBZWBK-KXUCPTDWSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2C)CC[NH2+]1 300209098 344970717 /nfs/dbraw/zinc/97/07/17/344970717.db2.gz FQROMONQUBZWBK-OPRDCNLKSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]2C)CC[NH2+]1 300209096 344970740 /nfs/dbraw/zinc/97/07/40/344970740.db2.gz FQROMONQUBZWBK-BBBLOLIVSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCC[NH2+]CC1 300208079 344970745 /nfs/dbraw/zinc/97/07/45/344970745.db2.gz ADLADZICACGTLM-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)[N@H+](C)C[C@H]1[NH2+]CCC[C@H]1C 300227572 344971591 /nfs/dbraw/zinc/97/15/91/344971591.db2.gz DNNBZBUANZXIDF-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1[NH2+]CCC[C@H]1C 300227572 344971593 /nfs/dbraw/zinc/97/15/93/344971593.db2.gz DNNBZBUANZXIDF-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@H+](C)C[C@@H]1[NH2+]CCC[C@H]1C 300227573 344971659 /nfs/dbraw/zinc/97/16/59/344971659.db2.gz DNNBZBUANZXIDF-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1[NH2+]CCC[C@H]1C 300227573 344971662 /nfs/dbraw/zinc/97/16/62/344971662.db2.gz DNNBZBUANZXIDF-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 300241096 344972837 /nfs/dbraw/zinc/97/28/37/344972837.db2.gz HTWPQESQBWSIFV-GRYCIOLGSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 300240643 344972858 /nfs/dbraw/zinc/97/28/58/344972858.db2.gz FHTLMYJNDICGLB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 300240643 344972860 /nfs/dbraw/zinc/97/28/60/344972860.db2.gz FHTLMYJNDICGLB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](C[NH3+])C2)C1 300241098 344972924 /nfs/dbraw/zinc/97/29/24/344972924.db2.gz HTWPQESQBWSIFV-IJLUTSLNSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 300240644 344972950 /nfs/dbraw/zinc/97/29/50/344972950.db2.gz FHTLMYJNDICGLB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 300240644 344972953 /nfs/dbraw/zinc/97/29/53/344972953.db2.gz FHTLMYJNDICGLB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 300239735 344973125 /nfs/dbraw/zinc/97/31/25/344973125.db2.gz AVSPBSDTAIMTTL-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 300239735 344973126 /nfs/dbraw/zinc/97/31/26/344973126.db2.gz AVSPBSDTAIMTTL-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 300239734 344973210 /nfs/dbraw/zinc/97/32/10/344973210.db2.gz AVSPBSDTAIMTTL-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 300344346 344974680 /nfs/dbraw/zinc/97/46/80/344974680.db2.gz QDGXQSRMIQVPJO-XKFHPXPTSA-N 2 1 182.311 1.635 10 0 ADAEMP C/C=C/C[N@H+]1C[C@H](C)[NH2+]CC[C@H]1C 300342254 344974728 /nfs/dbraw/zinc/97/47/28/344974728.db2.gz ATWCYQOAPUJDEJ-BXXZLRJFSA-N 2 1 182.311 1.635 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 300345092 344974762 /nfs/dbraw/zinc/97/47/62/344974762.db2.gz UGQJIQJJKIQDMF-XKFHPXPTSA-N 2 1 182.311 1.492 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 300344320 344974808 /nfs/dbraw/zinc/97/48/08/344974808.db2.gz QBBYYZIZXSSZOO-WUNPDAOYSA-N 2 1 180.295 1.389 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 300344320 344974812 /nfs/dbraw/zinc/97/48/12/344974812.db2.gz QBBYYZIZXSSZOO-WUNPDAOYSA-N 2 1 180.295 1.389 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H](C)[NH2+]CC[C@H]1C 300342255 344974980 /nfs/dbraw/zinc/97/49/80/344974980.db2.gz ATWCYQOAPUJDEJ-XKFHPXPTSA-N 2 1 182.311 1.635 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1C 300362653 344977217 /nfs/dbraw/zinc/97/72/17/344977217.db2.gz CTGVOUZVXPJGCZ-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+][C@H](C)C1 300364458 344977442 /nfs/dbraw/zinc/97/74/42/344977442.db2.gz MLVJMQZDSTYXNL-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@@H+]1CC1(C)CC1 300370976 344977708 /nfs/dbraw/zinc/97/77/08/344977708.db2.gz LHEUWESPXONTDB-DCAQKATOSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@H+]1CCC[C@H]1CN1CCCCC1=[NH2+] 300369643 344977841 /nfs/dbraw/zinc/97/78/41/344977841.db2.gz ZLRKTJCNLIUHGL-JTQLQIEISA-N 2 1 195.310 1.544 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 300373529 344978383 /nfs/dbraw/zinc/97/83/83/344978383.db2.gz APMLQCNRHSNHID-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 300373529 344978385 /nfs/dbraw/zinc/97/83/85/344978385.db2.gz APMLQCNRHSNHID-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 300373530 344978473 /nfs/dbraw/zinc/97/84/73/344978473.db2.gz APMLQCNRHSNHID-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 300373530 344978475 /nfs/dbraw/zinc/97/84/75/344978475.db2.gz APMLQCNRHSNHID-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2(C)CC2)[C@H](C)C1 300371121 344978530 /nfs/dbraw/zinc/97/85/30/344978530.db2.gz LPXLMKAJQBBPJZ-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2(C)CC2)[C@H](C)C1 300371119 344978583 /nfs/dbraw/zinc/97/85/83/344978583.db2.gz LPXLMKAJQBBPJZ-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@@H+]1CC1(C)CC1 300370978 344978648 /nfs/dbraw/zinc/97/86/48/344978648.db2.gz LHEUWESPXONTDB-GARJFASQSA-N 2 1 196.338 1.844 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 300375761 344978944 /nfs/dbraw/zinc/97/89/44/344978944.db2.gz DFDCXCPJZNDZCM-USZNOCQGSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CC[NH2+]C[C@H](C)C1 300376337 344978954 /nfs/dbraw/zinc/97/89/54/344978954.db2.gz DUKBWIYYCWRUIC-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 300375760 344979218 /nfs/dbraw/zinc/97/92/18/344979218.db2.gz DFDCXCPJZNDZCM-KKOKHZNYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 300380667 344979405 /nfs/dbraw/zinc/97/94/05/344979405.db2.gz IPRQJPVFWVUSRH-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 300380665 344979588 /nfs/dbraw/zinc/97/95/88/344979588.db2.gz IPRQJPVFWVUSRH-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)C[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 300378206 344979633 /nfs/dbraw/zinc/97/96/33/344979633.db2.gz GRFSECOBLSDPMF-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 300378206 344979638 /nfs/dbraw/zinc/97/96/38/344979638.db2.gz GRFSECOBLSDPMF-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 300378205 344979700 /nfs/dbraw/zinc/97/97/00/344979700.db2.gz GRFSECOBLSDPMF-BDAKNGLRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 300378205 344979701 /nfs/dbraw/zinc/97/97/01/344979701.db2.gz GRFSECOBLSDPMF-BDAKNGLRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 300380666 344979724 /nfs/dbraw/zinc/97/97/24/344979724.db2.gz IPRQJPVFWVUSRH-VLEAKVRGSA-N 2 1 182.311 1.454 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C[C@H]2CC2(C)C)C1 300380691 344979783 /nfs/dbraw/zinc/97/97/83/344979783.db2.gz IRMAOKBHADOIQS-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300380691 344979787 /nfs/dbraw/zinc/97/97/87/344979787.db2.gz IRMAOKBHADOIQS-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CC2(C)C)C1 300380690 344979805 /nfs/dbraw/zinc/97/98/05/344979805.db2.gz IRMAOKBHADOIQS-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CC2(C)C)C1 300380690 344979808 /nfs/dbraw/zinc/97/98/08/344979808.db2.gz IRMAOKBHADOIQS-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CCC[NH2+][C@H](C)C1 300382905 344979975 /nfs/dbraw/zinc/97/99/75/344979975.db2.gz KWUDLVQYXCQWTA-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CCC[NH2+][C@H](C)C1 300382906 344980000 /nfs/dbraw/zinc/98/00/00/344980000.db2.gz KWUDLVQYXCQWTA-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)C[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 300385041 344980039 /nfs/dbraw/zinc/98/00/39/344980039.db2.gz MYBLTJPPPGMWGO-ZJUUUORDSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CCC2)CC[C@H]1[NH3+] 300384538 344980253 /nfs/dbraw/zinc/98/02/53/344980253.db2.gz MOGLZXNTTHABGM-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[C@@H]1C[N@H+]1CC[C@H](C[NH3+])C1 300385039 344980283 /nfs/dbraw/zinc/98/02/83/344980283.db2.gz MYBLTJPPPGMWGO-NXEZZACHSA-N 2 1 182.311 1.313 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[N@H+]1CC[NH2+][C@H](C)CC1 300387154 344980853 /nfs/dbraw/zinc/98/08/53/344980853.db2.gz PCGAYBKRUSOOIZ-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CCC[C@@H]1C[C@H]1[N@H+]1CC[NH2+][C@H](C)CC1 300387152 344980911 /nfs/dbraw/zinc/98/09/11/344980911.db2.gz PCGAYBKRUSOOIZ-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[C@H]1[N@H+]1CC[NH2+][C@H](C)CC1 300393341 344981219 /nfs/dbraw/zinc/98/12/19/344981219.db2.gz XWNRHDYCGCYYGH-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[NH2+][C@H](C)CC1 300393342 344981247 /nfs/dbraw/zinc/98/12/47/344981247.db2.gz XWNRHDYCGCYYGH-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 300391582 344981390 /nfs/dbraw/zinc/98/13/90/344981390.db2.gz VWHDJZXWXQUVFO-VLEAKVRGSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 300391581 344981493 /nfs/dbraw/zinc/98/14/93/344981493.db2.gz VWHDJZXWXQUVFO-DBIOUOCHSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1C[C@@H]1[N@H+]1CC[C@H]([NH3+])C[C@H]1C 300391583 344981555 /nfs/dbraw/zinc/98/15/55/344981555.db2.gz VWHDJZXWXQUVFO-ZNSHCXBVSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1=CCC[N@H+]([C@H]2CC[C@H]2C[NH3+])C1 300400202 344982093 /nfs/dbraw/zinc/98/20/93/344982093.db2.gz PIQNDORURXYZAN-QWRGUYRKSA-N 2 1 180.295 1.376 10 0 ADAEMP CC1=CCC[N@H+](C[C@H]2C[NH2+]C[C@H]2C)C1 300399992 344982106 /nfs/dbraw/zinc/98/21/06/344982106.db2.gz AQQVCUUDHHQFOD-VXGBXAGGSA-N 2 1 194.322 1.494 10 0 ADAEMP CC1=CCC[N@H+]([C@@H]2CC[C@H]2C[NH3+])C1 300400203 344982241 /nfs/dbraw/zinc/98/22/41/344982241.db2.gz PIQNDORURXYZAN-WDEREUQCSA-N 2 1 180.295 1.376 10 0 ADAEMP C1C[C@H]2C[C@@H](C1)C[N@H+]([C@@H]1CC[NH2+]C1)C2 300748407 344987430 /nfs/dbraw/zinc/98/74/30/344987430.db2.gz JMPCLKDUFDPWPZ-GRYCIOLGSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2C[C@@H](C1)C[N@@H+]([C@@H]1CC[NH2+]C1)C2 300748407 344987434 /nfs/dbraw/zinc/98/74/34/344987434.db2.gz JMPCLKDUFDPWPZ-GRYCIOLGSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2C[C@@H](C1)C[N@H+]([C@H]1CC[NH2+]C1)C2 300748408 344987569 /nfs/dbraw/zinc/98/75/69/344987569.db2.gz JMPCLKDUFDPWPZ-TUAOUCFPSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@H]2C[C@@H](C1)C[N@@H+]([C@H]1CC[NH2+]C1)C2 300748408 344987571 /nfs/dbraw/zinc/98/75/71/344987571.db2.gz JMPCLKDUFDPWPZ-TUAOUCFPSA-N 2 1 194.322 1.470 10 0 ADAEMP CC1C[NH+]([C@H](C[NH3+])C(C)(C)C)C1 300755879 344989957 /nfs/dbraw/zinc/98/99/57/344989957.db2.gz JSECCCMEWWCADP-SECBINFHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC1C[NH+]([C@@H](C[NH3+])C(C)(C)C)C1 300755881 344989967 /nfs/dbraw/zinc/98/99/67/344989967.db2.gz JSECCCMEWWCADP-VIFPVBQESA-N 2 1 170.300 1.312 10 0 ADAEMP CCSCCC[NH2+][C@@H]1CC[NH2+]C1 300757018 344990071 /nfs/dbraw/zinc/99/00/71/344990071.db2.gz CYBYMLWXTOLBGZ-SECBINFHSA-N 2 1 188.340 1.081 10 0 ADAEMP CCSCCC[NH2+][C@H]1CC[NH2+]C1 300757019 344990211 /nfs/dbraw/zinc/99/02/11/344990211.db2.gz CYBYMLWXTOLBGZ-VIFPVBQESA-N 2 1 188.340 1.081 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H]1CC[NH2+]CC1(C)C 300796349 344999297 /nfs/dbraw/zinc/99/92/97/344999297.db2.gz DSZJBVOKNHMMPA-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CC[NH2+]CC1(C)C 300796350 344999460 /nfs/dbraw/zinc/99/94/60/344999460.db2.gz DSZJBVOKNHMMPA-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[NH2+]CC1(C)C 300817955 345001684 /nfs/dbraw/zinc/00/16/84/345001684.db2.gz IIDBTXCQXSROOS-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@@H]1CCCCCC[NH2+]1 300818329 345001739 /nfs/dbraw/zinc/00/17/39/345001739.db2.gz BEFCEPJOARRUGP-VIFPVBQESA-N 2 1 156.273 1.128 10 0 ADAEMP C[NH2+]C[C@H]1CCCCCC[NH2+]1 300818326 345001937 /nfs/dbraw/zinc/00/19/37/345001937.db2.gz BEFCEPJOARRUGP-SECBINFHSA-N 2 1 156.273 1.128 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[NH2+]CC1(C)C 300817957 345001949 /nfs/dbraw/zinc/00/19/49/345001949.db2.gz IIDBTXCQXSROOS-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1CCC(C[NH3+])CC1 300830404 345003486 /nfs/dbraw/zinc/00/34/86/345003486.db2.gz OMFRVPRCHHZXOT-VOMCLLRMSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1CCC(C[NH3+])CC1 300830400 345003659 /nfs/dbraw/zinc/00/36/59/345003659.db2.gz OMFRVPRCHHZXOT-UNXYVOJBSA-N 2 1 196.338 1.846 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1[C@@H](C[NH3+])C1(C)C 300889028 345009106 /nfs/dbraw/zinc/00/91/06/345009106.db2.gz BDWNAXPSOCDKGX-APPZFPTMSA-N 2 1 179.267 1.118 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1[C@H](C[NH3+])C1(C)C 300889033 345009258 /nfs/dbraw/zinc/00/92/58/345009258.db2.gz BDWNAXPSOCDKGX-IONNQARKSA-N 2 1 179.267 1.118 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1[C@H](C[NH3+])C1(C)C 300889031 345009282 /nfs/dbraw/zinc/00/92/82/345009282.db2.gz BDWNAXPSOCDKGX-CBAPKCEASA-N 2 1 179.267 1.118 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1[C@@H](C[NH3+])C1(C)C 300889035 345009318 /nfs/dbraw/zinc/00/93/18/345009318.db2.gz BDWNAXPSOCDKGX-VXNVDRBHSA-N 2 1 179.267 1.118 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]CC1(C)C 300908754 345011848 /nfs/dbraw/zinc/01/18/48/345011848.db2.gz XAOZVWGIFBPBBR-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H]2CC[NH2+]CC2(C)C)C1 300924604 345013659 /nfs/dbraw/zinc/01/36/59/345013659.db2.gz ZBTXMWTZLHQSQP-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+]CC2(C)C)C1 300924600 345013668 /nfs/dbraw/zinc/01/36/68/345013668.db2.gz ZBTXMWTZLHQSQP-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H]2CC[NH2+]CC2(C)C)C1 300924602 345013811 /nfs/dbraw/zinc/01/38/11/345013811.db2.gz ZBTXMWTZLHQSQP-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H]2CC[NH2+]CC2(C)C)C1 300924606 345013880 /nfs/dbraw/zinc/01/38/80/345013880.db2.gz ZBTXMWTZLHQSQP-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@@H]1CC[NH2+]CC1(C)C 300932313 345014825 /nfs/dbraw/zinc/01/48/25/345014825.db2.gz ZXXSNZAOEILIGZ-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@H]1CC[NH2+]CC1(C)C 300932304 345014909 /nfs/dbraw/zinc/01/49/09/345014909.db2.gz ZXXSNZAOEILIGZ-MNOVXSKESA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CC[NH2+]CC1(C)C 300932309 345014920 /nfs/dbraw/zinc/01/49/20/345014920.db2.gz ZXXSNZAOEILIGZ-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CC[NH2+]CC1(C)C 300932299 345014941 /nfs/dbraw/zinc/01/49/41/345014941.db2.gz ZXXSNZAOEILIGZ-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1[C@@H]([NH3+])C1(C)C 300975189 345020141 /nfs/dbraw/zinc/02/01/41/345020141.db2.gz JTXPPXMRHULXSV-RKDXNWHRSA-N 2 1 179.267 1.354 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1[C@H]([NH3+])C1(C)C 300975186 345020232 /nfs/dbraw/zinc/02/02/32/345020232.db2.gz JTXPPXMRHULXSV-BDAKNGLRSA-N 2 1 179.267 1.354 10 0 ADAEMP CCn1c[nH+]cc1[C@H]1[C@H]([NH3+])C1(C)C 300975188 345020529 /nfs/dbraw/zinc/02/05/29/345020529.db2.gz JTXPPXMRHULXSV-IUCAKERBSA-N 2 1 179.267 1.354 10 0 ADAEMP CCn1c[nH+]cc1[C@H]1[C@@H]([NH3+])C1(C)C 300975187 345020561 /nfs/dbraw/zinc/02/05/61/345020561.db2.gz JTXPPXMRHULXSV-DTWKUNHWSA-N 2 1 179.267 1.354 10 0 ADAEMP C1CCC[C@H](C[NH2+]C2CC2)[NH2+]CC1 301032553 345029805 /nfs/dbraw/zinc/02/98/05/345029805.db2.gz RZPJXBWHLIAQRE-LLVKDONJSA-N 2 1 182.311 1.661 10 0 ADAEMP C1CCC[C@@H](C[NH2+]C2CC2)[NH2+]CC1 301032554 345029912 /nfs/dbraw/zinc/02/99/12/345029912.db2.gz RZPJXBWHLIAQRE-NSHDSACASA-N 2 1 182.311 1.661 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]32)C1 306150239 345039657 /nfs/dbraw/zinc/03/96/57/345039657.db2.gz FYEQREKGCNESEV-CHWFTXMASA-N 2 1 180.295 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 306150250 345039702 /nfs/dbraw/zinc/03/97/02/345039702.db2.gz FYEQREKGCNESEV-LNFKQOIKSA-N 2 1 180.295 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[C@H]32)C1 306150250 345039704 /nfs/dbraw/zinc/03/97/04/345039704.db2.gz FYEQREKGCNESEV-LNFKQOIKSA-N 2 1 180.295 1.079 10 0 ADAEMP C1C[NH2+][C@@H](C[N@@H+]2CC3CCC2CC3)C1 306151154 345040775 /nfs/dbraw/zinc/04/07/75/345040775.db2.gz BQTBWZFULHIQHV-MOENNCHZSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+][C@@H](C[N@H+]2CC3CCC2CC3)C1 306151154 345040780 /nfs/dbraw/zinc/04/07/80/345040780.db2.gz BQTBWZFULHIQHV-MOENNCHZSA-N 2 1 194.322 1.613 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@@H]21 306155614 345046347 /nfs/dbraw/zinc/04/63/47/345046347.db2.gz LBRJFMOPVRHKIL-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@@H]21 306155614 345046349 /nfs/dbraw/zinc/04/63/49/345046349.db2.gz LBRJFMOPVRHKIL-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@@H]21 306155620 345046410 /nfs/dbraw/zinc/04/64/10/345046410.db2.gz LBRJFMOPVRHKIL-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@@H]21 306155620 345046412 /nfs/dbraw/zinc/04/64/12/345046412.db2.gz LBRJFMOPVRHKIL-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@H]21 306155618 345046520 /nfs/dbraw/zinc/04/65/20/345046520.db2.gz LBRJFMOPVRHKIL-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])CC[C@H]2CCCC[C@H]21 306155618 345046522 /nfs/dbraw/zinc/04/65/22/345046522.db2.gz LBRJFMOPVRHKIL-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@H]21 306155616 345046547 /nfs/dbraw/zinc/04/65/47/345046547.db2.gz LBRJFMOPVRHKIL-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCCC[C@H]21 306155616 345046550 /nfs/dbraw/zinc/04/65/50/345046550.db2.gz LBRJFMOPVRHKIL-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 306164020 345055105 /nfs/dbraw/zinc/05/51/05/345055105.db2.gz BFOFJLVMFZGEMM-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@]1(C)CC[NH2+]C1 306164028 345055168 /nfs/dbraw/zinc/05/51/68/345055168.db2.gz BFOFJLVMFZGEMM-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 306164030 345055216 /nfs/dbraw/zinc/05/52/16/345055216.db2.gz BFOFJLVMFZGEMM-ZJUUUORDSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@]1(C)CC[NH2+]C1 306164015 345055328 /nfs/dbraw/zinc/05/53/28/345055328.db2.gz BFOFJLVMFZGEMM-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C1CCN(C)CC1 306168654 345060137 /nfs/dbraw/zinc/06/01/37/345060137.db2.gz WHARBVPODVEPSN-JTQLQIEISA-N 2 1 184.327 1.811 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C1CCN(C)CC1 306168663 345060142 /nfs/dbraw/zinc/06/01/42/345060142.db2.gz WHARBVPODVEPSN-SNVBAGLBSA-N 2 1 184.327 1.811 10 0 ADAEMP C1CC2CCC1C[N@@H+]2CC1C[NH2+]C1 306170950 345062056 /nfs/dbraw/zinc/06/20/56/345062056.db2.gz YLSLFTUGAGNHRJ-UHFFFAOYSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1C[C@](C[NH3+])([NH+]2CCC2)[C@@H]1C 306171247 345062608 /nfs/dbraw/zinc/06/26/08/345062608.db2.gz ATRXJWMJYIUNDD-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1[C@H](C)C[C@]1(C[NH3+])[NH+]1CCC1 306171243 345062665 /nfs/dbraw/zinc/06/26/65/345062665.db2.gz ATRXJWMJYIUNDD-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C[C@@H]1C 306171331 345062713 /nfs/dbraw/zinc/06/27/13/345062713.db2.gz ZRXZOYIWWOXDLT-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C[C@H]1C 306171327 345062788 /nfs/dbraw/zinc/06/27/88/345062788.db2.gz ZRXZOYIWWOXDLT-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[C@@]1(C[NH3+])[NH+]1CCC1 306171250 345062803 /nfs/dbraw/zinc/06/28/03/345062803.db2.gz ATRXJWMJYIUNDD-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C[C@H]1C 306171320 345062828 /nfs/dbraw/zinc/06/28/28/345062828.db2.gz ZRXZOYIWWOXDLT-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C[C@@H]1C 306171316 345062880 /nfs/dbraw/zinc/06/28/80/345062880.db2.gz ZRXZOYIWWOXDLT-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CCC[C@H]2[NH3+])C1 306173961 345064719 /nfs/dbraw/zinc/06/47/19/345064719.db2.gz LWYLMPZQNSCGKP-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CCC[C@@H]2[NH3+])C1 306173958 345064886 /nfs/dbraw/zinc/06/48/86/345064886.db2.gz LWYLMPZQNSCGKP-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@]2(CCC[C@@H]2[NH3+])C1 306173959 345064951 /nfs/dbraw/zinc/06/49/51/345064951.db2.gz LWYLMPZQNSCGKP-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC[C@]2(CCC[C@H]2[NH3+])C1 306173956 345065064 /nfs/dbraw/zinc/06/50/64/345065064.db2.gz LWYLMPZQNSCGKP-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@@H+]2CCC[C@@H]3C[C@@H]32)C1 306175652 345066041 /nfs/dbraw/zinc/06/60/41/345066041.db2.gz MXVHNPVPHUNGPX-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@H+]2CCC[C@@H]3C[C@@H]32)C1 306175652 345066042 /nfs/dbraw/zinc/06/60/42/345066042.db2.gz MXVHNPVPHUNGPX-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP [NH3+]C[C@]1([NH+]2CCC2)CCC[C@H]2C[C@H]21 306176659 345067091 /nfs/dbraw/zinc/06/70/91/345067091.db2.gz WSEQFGUDNSLZDR-HBNTYKKESA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@]1([NH+]2CCC2)CCC[C@@H]2C[C@@H]21 306176661 345067152 /nfs/dbraw/zinc/06/71/52/345067152.db2.gz WSEQFGUDNSLZDR-OUAUKWLOSA-N 2 1 180.295 1.210 10 0 ADAEMP CC1(C)CC[C@@]1(C[NH3+])[NH+]1CCC1 306178405 345069503 /nfs/dbraw/zinc/06/95/03/345069503.db2.gz YPQWKEFSFZWDJA-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C)CC[C@]1(C[NH3+])[NH+]1CCC1 306178406 345069772 /nfs/dbraw/zinc/06/97/72/345069772.db2.gz YPQWKEFSFZWDJA-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP C1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 306181973 345072785 /nfs/dbraw/zinc/07/27/85/345072785.db2.gz SFWFIJISBXYQOS-NXEZZACHSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC([N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 306181977 345072821 /nfs/dbraw/zinc/07/28/21/345072821.db2.gz SFWFIJISBXYQOS-UWVGGRQHSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC([N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 306181982 345072826 /nfs/dbraw/zinc/07/28/26/345072826.db2.gz SFWFIJISBXYQOS-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 306181987 345073053 /nfs/dbraw/zinc/07/30/53/345073053.db2.gz SFWFIJISBXYQOS-ZJUUUORDSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 306182392 345073382 /nfs/dbraw/zinc/07/33/82/345073382.db2.gz XGRRLHPMEBOXBX-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H]1C[NH2+][C@H](C)CC[N@H+](CCF)C1 306184910 345075564 /nfs/dbraw/zinc/07/55/64/345075564.db2.gz FTXQUIGKIIOTNI-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[NH2+][C@H](C)CC[N@@H+](CCF)C1 306184910 345075567 /nfs/dbraw/zinc/07/55/67/345075567.db2.gz FTXQUIGKIIOTNI-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[NH2+][C@@H](C)CC[N@H+](CCF)C1 306184909 345075650 /nfs/dbraw/zinc/07/56/50/345075650.db2.gz FTXQUIGKIIOTNI-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[NH2+][C@@H](C)CC[N@@H+](CCF)C1 306184909 345075651 /nfs/dbraw/zinc/07/56/51/345075651.db2.gz FTXQUIGKIIOTNI-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@@H+](CCF)C1 306184904 345075700 /nfs/dbraw/zinc/07/57/00/345075700.db2.gz FTXQUIGKIIOTNI-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](CCF)C1 306184904 345075698 /nfs/dbraw/zinc/07/56/98/345075698.db2.gz FTXQUIGKIIOTNI-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1CC[N@H+](CCF)C[C@H](C)C[NH2+]1 306184911 345075749 /nfs/dbraw/zinc/07/57/49/345075749.db2.gz FTXQUIGKIIOTNI-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1CC[N@@H+](CCF)C[C@H](C)C[NH2+]1 306184911 345075750 /nfs/dbraw/zinc/07/57/50/345075750.db2.gz FTXQUIGKIIOTNI-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CC(C)(C)C1(C)C 306193979 345083542 /nfs/dbraw/zinc/08/35/42/345083542.db2.gz CZAVZKBDQGDWMV-MRVPVSSYSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CC(C)(C)C1(C)C 306193979 345083543 /nfs/dbraw/zinc/08/35/43/345083543.db2.gz CZAVZKBDQGDWMV-MRVPVSSYSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH+]1CC=CC1 306197521 345086710 /nfs/dbraw/zinc/08/67/10/345086710.db2.gz QEYUDJAHULBZGP-MXWKQRLJSA-N 2 1 180.295 1.245 10 0 ADAEMP C[NH2+]CC[N@H+]1C[C@H]2CC=CC[C@H]2C1 306197486 345086785 /nfs/dbraw/zinc/08/67/85/345086785.db2.gz PUQWKYYXVDXYLX-PHIMTYICSA-N 2 1 180.295 1.104 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH+]1CC=CC1 306197520 345086861 /nfs/dbraw/zinc/08/68/61/345086861.db2.gz QEYUDJAHULBZGP-GMTAPVOTSA-N 2 1 180.295 1.245 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH+]1CC=CC1 306197523 345086966 /nfs/dbraw/zinc/08/69/66/345086966.db2.gz QEYUDJAHULBZGP-VWYCJHECSA-N 2 1 180.295 1.245 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH+]1CC=CC1 306197522 345087005 /nfs/dbraw/zinc/08/70/05/345087005.db2.gz QEYUDJAHULBZGP-OUAUKWLOSA-N 2 1 180.295 1.245 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CC[C@H]2C)C1 306207012 345096179 /nfs/dbraw/zinc/09/61/79/345096179.db2.gz JJGKIMIZOWORGC-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C)C1 306207011 345096184 /nfs/dbraw/zinc/09/61/84/345096184.db2.gz JJGKIMIZOWORGC-UKKRHICBSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CCC[C@]1(C[NH3+])[NH+]1CCC1 306206777 345096206 /nfs/dbraw/zinc/09/62/06/345096206.db2.gz VXUCEXLAKCXNHA-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 306207010 345096299 /nfs/dbraw/zinc/09/62/99/345096299.db2.gz JJGKIMIZOWORGC-MMWGEVLESA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CCC[C@@]1(C[NH3+])[NH+]1CCC1 306206776 345096343 /nfs/dbraw/zinc/09/63/43/345096343.db2.gz VXUCEXLAKCXNHA-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@H]1CCC[C@@]1(C[NH3+])[NH+]1CCC1 306206778 345096394 /nfs/dbraw/zinc/09/63/94/345096394.db2.gz VXUCEXLAKCXNHA-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C)C1 306207009 345096446 /nfs/dbraw/zinc/09/64/46/345096446.db2.gz JJGKIMIZOWORGC-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CCC[C@]1(C[NH3+])[NH+]1CCC1 306206774 345096533 /nfs/dbraw/zinc/09/65/33/345096533.db2.gz VXUCEXLAKCXNHA-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1CC2CCC1CC2 306208283 345097454 /nfs/dbraw/zinc/09/74/54/345097454.db2.gz BIYJMDROQNOUBK-UHFFFAOYSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CC2CCC1CC2 306208283 345097456 /nfs/dbraw/zinc/09/74/56/345097456.db2.gz BIYJMDROQNOUBK-UHFFFAOYSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 306208260 345097581 /nfs/dbraw/zinc/09/75/81/345097581.db2.gz HGWHGJPIAGENQB-PHIMTYICSA-N 2 1 194.322 1.328 10 0 ADAEMP C[NH2+]C1(C[NH+]2CCCC2)CCC1 306210069 345099794 /nfs/dbraw/zinc/09/97/94/345099794.db2.gz BYWUDHASWPJPSD-UHFFFAOYSA-N 2 1 168.284 1.224 10 0 ADAEMP CC(C)[N@@H+](C)C1C[C@H](C)[NH2+][C@@H](C)C1 306211447 345101263 /nfs/dbraw/zinc/10/12/63/345101263.db2.gz PROWGECIFDZUSC-UWVGGRQHSA-N 2 1 184.327 1.856 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 306211445 345101368 /nfs/dbraw/zinc/10/13/68/345101368.db2.gz PROWGECIFDZUSC-JGPRNRPPSA-N 2 1 184.327 1.856 10 0 ADAEMP CC(C)[N@@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 306211446 345101506 /nfs/dbraw/zinc/10/15/06/345101506.db2.gz PROWGECIFDZUSC-NXEZZACHSA-N 2 1 184.327 1.856 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C1CCC1 306212306 345101807 /nfs/dbraw/zinc/10/18/07/345101807.db2.gz RSZDCHCQTFWGQC-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@@H+](C)C1CCC1 306212303 345101863 /nfs/dbraw/zinc/10/18/63/345101863.db2.gz RSZDCHCQTFWGQC-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)C1CCC1 306212305 345102184 /nfs/dbraw/zinc/10/21/84/345102184.db2.gz RSZDCHCQTFWGQC-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C1CCC1 306212304 345102215 /nfs/dbraw/zinc/10/22/15/345102215.db2.gz RSZDCHCQTFWGQC-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306215359 345106463 /nfs/dbraw/zinc/10/64/63/345106463.db2.gz IXTJPZOQFAOWPF-GARJFASQSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)C[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306215357 345106493 /nfs/dbraw/zinc/10/64/93/345106493.db2.gz IXTJPZOQFAOWPF-AXFHLTTASA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306215358 345106661 /nfs/dbraw/zinc/10/66/61/345106661.db2.gz IXTJPZOQFAOWPF-DCAQKATOSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)C[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306215360 345106674 /nfs/dbraw/zinc/10/66/74/345106674.db2.gz IXTJPZOQFAOWPF-HBNTYKKESA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)([NH3+])[C@H](F)Cc1cc[nH+]c(N)c1 306216096 345107434 /nfs/dbraw/zinc/10/74/34/345107434.db2.gz PGMSTUPKDADZLF-MRVPVSSYSA-N 2 1 197.257 1.282 10 0 ADAEMP CC(C)([NH3+])[C@@H](F)Cc1cc[nH+]c(N)c1 306216097 345107509 /nfs/dbraw/zinc/10/75/09/345107509.db2.gz PGMSTUPKDADZLF-QMMMGPOBSA-N 2 1 197.257 1.282 10 0 ADAEMP CC1(C[N@H+]2CCC[C@@H]([NH3+])CC2)CCC1 306230966 345124092 /nfs/dbraw/zinc/12/40/92/345124092.db2.gz LSWDIODEPFTNMP-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC1(C[N@H+]2CCC[C@H]([NH3+])CC2)CCC1 306230977 345124366 /nfs/dbraw/zinc/12/43/66/345124366.db2.gz LSWDIODEPFTNMP-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H](C[NH3+])c1nc2c([nH]1)CC[C@@H]2C 306238243 345130806 /nfs/dbraw/zinc/13/08/06/345130806.db2.gz RDYLUFVAWBJWQV-BQBZGAKWSA-N 2 1 179.267 1.522 10 0 ADAEMP C[C@H]1CCc2[nH]c([C@H](C)C[NH3+])nc21 306238245 345130939 /nfs/dbraw/zinc/13/09/39/345130939.db2.gz RDYLUFVAWBJWQV-NKWVEPMBSA-N 2 1 179.267 1.522 10 0 ADAEMP C[C@H](C[NH3+])c1nc2c([nH]1)CC[C@H]2C 306238247 345131038 /nfs/dbraw/zinc/13/10/38/345131038.db2.gz RDYLUFVAWBJWQV-RNFRBKRXSA-N 2 1 179.267 1.522 10 0 ADAEMP C[C@@H](C[NH3+])c1nc2c([nH]1)CC[C@H]2C 306238249 345131058 /nfs/dbraw/zinc/13/10/58/345131058.db2.gz RDYLUFVAWBJWQV-RQJHMYQMSA-N 2 1 179.267 1.522 10 0 ADAEMP CC1(C)CC[C@@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306240824 345133169 /nfs/dbraw/zinc/13/31/69/345133169.db2.gz READVLOLMHCLCT-AXFHLTTASA-N 2 1 194.322 1.326 10 0 ADAEMP CC1(C)CC[C@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306240827 345133337 /nfs/dbraw/zinc/13/33/37/345133337.db2.gz READVLOLMHCLCT-OUAUKWLOSA-N 2 1 194.322 1.326 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 306244552 345136449 /nfs/dbraw/zinc/13/64/49/345136449.db2.gz NAFQQXYHHAHIKH-VIFPVBQESA-N 2 1 186.274 1.159 10 0 ADAEMP [NH3+]C[C@H]1CCC[N@@H+](CC2(F)CC2)C1 306244551 345136698 /nfs/dbraw/zinc/13/66/98/345136698.db2.gz NAFQQXYHHAHIKH-SECBINFHSA-N 2 1 186.274 1.159 10 0 ADAEMP C[C@@H]1CC[N@H+](CCCF)CC[NH2+]1 306247174 345138828 /nfs/dbraw/zinc/13/88/28/345138828.db2.gz SEYXOIRMBHUJAD-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCCF)CC[NH2+]1 306247174 345138830 /nfs/dbraw/zinc/13/88/30/345138830.db2.gz SEYXOIRMBHUJAD-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@H]1CC[N@H+](CCCF)CC[NH2+]1 306247178 345138994 /nfs/dbraw/zinc/13/89/94/345138994.db2.gz SEYXOIRMBHUJAD-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@H]1CC[N@@H+](CCCF)CC[NH2+]1 306247178 345138995 /nfs/dbraw/zinc/13/89/95/345138995.db2.gz SEYXOIRMBHUJAD-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])CC1 306250916 345142349 /nfs/dbraw/zinc/14/23/49/345142349.db2.gz QBTKDJNWCRRXOC-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])CC1 306250918 345142462 /nfs/dbraw/zinc/14/24/62/345142462.db2.gz QBTKDJNWCRRXOC-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])CC1 306250917 345142491 /nfs/dbraw/zinc/14/24/91/345142491.db2.gz QBTKDJNWCRRXOC-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])CC1 306250915 345142497 /nfs/dbraw/zinc/14/24/97/345142497.db2.gz QBTKDJNWCRRXOC-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH3+])[C@@](C)(F)[C@@H]1CCCCC[NH2+]1 306251608 345143064 /nfs/dbraw/zinc/14/30/64/345143064.db2.gz ILQXMTAKBNHTPH-LPEHRKFASA-N 2 1 188.290 1.594 10 0 ADAEMP C[C@H]([NH3+])[C@@](C)(F)[C@H]1CCCCC[NH2+]1 306251606 345143093 /nfs/dbraw/zinc/14/30/93/345143093.db2.gz ILQXMTAKBNHTPH-IVZWLZJFSA-N 2 1 188.290 1.594 10 0 ADAEMP C[C@H]([NH3+])[C@](C)(F)[C@@H]1CCCCC[NH2+]1 306251605 345143167 /nfs/dbraw/zinc/14/31/67/345143167.db2.gz ILQXMTAKBNHTPH-GUBZILKMSA-N 2 1 188.290 1.594 10 0 ADAEMP C[C@H]([NH3+])[C@](C)(F)[C@H]1CCCCC[NH2+]1 306251603 345143311 /nfs/dbraw/zinc/14/33/11/345143311.db2.gz ILQXMTAKBNHTPH-AEJSXWLSSA-N 2 1 188.290 1.594 10 0 ADAEMP C[C@@H]1[NH2+]C[C@H]([NH+]2CCCC2)C[C@H]1C 306254443 345145741 /nfs/dbraw/zinc/14/57/41/345145741.db2.gz NZYOURDUHQRZEL-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@@H]([NH+]2CCCC2)C[NH2+][C@@H]1C 306254441 345145876 /nfs/dbraw/zinc/14/58/76/345145876.db2.gz NZYOURDUHQRZEL-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]C[C@@H]([NH+]2CCCC2)C[C@H]1C 306254444 345146042 /nfs/dbraw/zinc/14/60/42/345146042.db2.gz NZYOURDUHQRZEL-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@H]([NH+]2CCCC2)C[NH2+][C@@H]1C 306254442 345146061 /nfs/dbraw/zinc/14/60/61/345146061.db2.gz NZYOURDUHQRZEL-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([NH3+])C[NH+]1CCC2(CCC2)CC1 306255556 345147099 /nfs/dbraw/zinc/14/70/99/345147099.db2.gz MQOJXDQNPXROQL-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CNCC[N@H+]([C@@H]2CC[C@H]2C)C1 306257594 345148038 /nfs/dbraw/zinc/14/80/38/345148038.db2.gz QAYMFDKVQQNFJC-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CCN([C@@H]2CC[C@H]2C)C1 306257594 345148041 /nfs/dbraw/zinc/14/80/41/345148041.db2.gz QAYMFDKVQQNFJC-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@H+]1CCNC[C@@H](C)C1 306257597 345148083 /nfs/dbraw/zinc/14/80/83/345148083.db2.gz QAYMFDKVQQNFJC-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[C@@H]1N1CC[NH2+]C[C@@H](C)C1 306257597 345148084 /nfs/dbraw/zinc/14/80/84/345148084.db2.gz QAYMFDKVQQNFJC-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CNCC[N@H+]([C@H]2CC[C@H]2C)C1 306257595 345148198 /nfs/dbraw/zinc/14/81/98/345148198.db2.gz QAYMFDKVQQNFJC-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CCN([C@H]2CC[C@H]2C)C1 306257595 345148201 /nfs/dbraw/zinc/14/82/01/345148201.db2.gz QAYMFDKVQQNFJC-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[C@H]1[N@H+]1CCNC[C@@H](C)C1 306257596 345148290 /nfs/dbraw/zinc/14/82/90/345148290.db2.gz QAYMFDKVQQNFJC-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[C@H]1N1CC[NH2+]C[C@@H](C)C1 306257596 345148292 /nfs/dbraw/zinc/14/82/92/345148292.db2.gz QAYMFDKVQQNFJC-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP CC(=[NH2+])NC1C[C@@H]2CC[C@H](C1)[N@H+]2C 306257934 345148609 /nfs/dbraw/zinc/14/86/09/345148609.db2.gz YOFAHZBSEDXGLU-PBINXNQUSA-N 2 1 181.283 1.198 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C[C@H]1C 306264571 345154761 /nfs/dbraw/zinc/15/47/61/345154761.db2.gz AMJGHWMFXVVUEQ-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C[C@H]1C 306264571 345154762 /nfs/dbraw/zinc/15/47/62/345154762.db2.gz AMJGHWMFXVVUEQ-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)[C@@H]1C 306264574 345154774 /nfs/dbraw/zinc/15/47/74/345154774.db2.gz AMJGHWMFXVVUEQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])C2)[C@@H]1C 306264574 345154777 /nfs/dbraw/zinc/15/47/77/345154777.db2.gz AMJGHWMFXVVUEQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])C2)[C@@H]1C 306264568 345154946 /nfs/dbraw/zinc/15/49/46/345154946.db2.gz AMJGHWMFXVVUEQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])C2)[C@@H]1C 306264568 345154947 /nfs/dbraw/zinc/15/49/47/345154947.db2.gz AMJGHWMFXVVUEQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1CCC2(CCC2)CC1 306269611 345158402 /nfs/dbraw/zinc/15/84/02/345158402.db2.gz MQOJXDQNPXROQL-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CCCNCC1 306269830 345158447 /nfs/dbraw/zinc/15/84/47/345158447.db2.gz MYCIHJWCWHBFPC-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)N1CCC[NH2+]CC1 306269830 345158450 /nfs/dbraw/zinc/15/84/50/345158450.db2.gz MYCIHJWCWHBFPC-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CCCNCC1 306269832 345158476 /nfs/dbraw/zinc/15/84/76/345158476.db2.gz MYCIHJWCWHBFPC-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]([C@H]1C[C@H]1C)N1CCC[NH2+]CC1 306269832 345158478 /nfs/dbraw/zinc/15/84/78/345158478.db2.gz MYCIHJWCWHBFPC-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC[C@@H]2C)C1 306269612 345158526 /nfs/dbraw/zinc/15/85/26/345158526.db2.gz MQRGNVIERAYQGI-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC[C@@H]2C)C1 306269612 345158529 /nfs/dbraw/zinc/15/85/29/345158529.db2.gz MQRGNVIERAYQGI-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CC[C@H]2C)C1 306269613 345158588 /nfs/dbraw/zinc/15/85/88/345158588.db2.gz MQRGNVIERAYQGI-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@H]2CC[C@H]2C)C1 306269613 345158590 /nfs/dbraw/zinc/15/85/90/345158590.db2.gz MQRGNVIERAYQGI-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[C@H]1[C@@H](C)[N@H+]1CCCNCC1 306269828 345158633 /nfs/dbraw/zinc/15/86/33/345158633.db2.gz MYCIHJWCWHBFPC-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[C@H]1[C@@H](C)N1CCC[NH2+]CC1 306269828 345158635 /nfs/dbraw/zinc/15/86/35/345158635.db2.gz MYCIHJWCWHBFPC-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2C)C1 306269615 345158693 /nfs/dbraw/zinc/15/86/93/345158693.db2.gz MQRGNVIERAYQGI-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@H]2C)C1 306269615 345158696 /nfs/dbraw/zinc/15/86/96/345158696.db2.gz MQRGNVIERAYQGI-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]([C@@H]1C[C@H]1C)[N@H+]1CCCNCC1 306269831 345158724 /nfs/dbraw/zinc/15/87/24/345158724.db2.gz MYCIHJWCWHBFPC-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]([C@@H]1C[C@H]1C)N1CCC[NH2+]CC1 306269831 345158727 /nfs/dbraw/zinc/15/87/27/345158727.db2.gz MYCIHJWCWHBFPC-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C)C1 306269614 345158767 /nfs/dbraw/zinc/15/87/67/345158767.db2.gz MQRGNVIERAYQGI-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H]2C)C1 306269614 345158769 /nfs/dbraw/zinc/15/87/69/345158769.db2.gz MQRGNVIERAYQGI-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1C[C@H]2CCCC[C@H]2C1 306270492 345159118 /nfs/dbraw/zinc/15/91/18/345159118.db2.gz PBZRSMPSGQLFDG-BBBLOLIVSA-N 2 1 195.310 1.433 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1C[C@H]2CCCC[C@H]2C1 306270492 345159121 /nfs/dbraw/zinc/15/91/21/345159121.db2.gz PBZRSMPSGQLFDG-BBBLOLIVSA-N 2 1 195.310 1.433 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@@H+]1C[C@H]2CCCC[C@H]2C1 306270493 345159138 /nfs/dbraw/zinc/15/91/38/345159138.db2.gz PBZRSMPSGQLFDG-LPEHRKFASA-N 2 1 195.310 1.433 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@H]2CCCC[C@H]2C1 306270493 345159140 /nfs/dbraw/zinc/15/91/40/345159140.db2.gz PBZRSMPSGQLFDG-LPEHRKFASA-N 2 1 195.310 1.433 10 0 ADAEMP C[NH+]1CCC(Cc2[nH]cc[nH+]2)CC1 306273058 345161088 /nfs/dbraw/zinc/16/10/88/345161088.db2.gz YKGASLBSDQDWML-UHFFFAOYSA-N 2 1 179.267 1.294 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 306275464 345162722 /nfs/dbraw/zinc/16/27/22/345162722.db2.gz GFVNSGISXHJQJQ-ORAHPGNNSA-N 2 1 182.311 1.622 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 306275465 345162753 /nfs/dbraw/zinc/16/27/53/345162753.db2.gz GFVNSGISXHJQJQ-YEZKRMTDSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[NH3+] 306279841 345165483 /nfs/dbraw/zinc/16/54/83/345165483.db2.gz ZISCKPQRIKBKLN-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC[NH3+] 306279838 345165554 /nfs/dbraw/zinc/16/55/54/345165554.db2.gz ZISCKPQRIKBKLN-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC[NH3+] 306279838 345165556 /nfs/dbraw/zinc/16/55/56/345165556.db2.gz ZISCKPQRIKBKLN-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1C[NH+]([C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1 306280741 345166131 /nfs/dbraw/zinc/16/61/31/345166131.db2.gz DFSMUWROZZJPQS-GARJFASQSA-N 2 1 182.311 1.325 10 0 ADAEMP CC1C[NH+]([C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 306280742 345166141 /nfs/dbraw/zinc/16/61/41/345166141.db2.gz DFSMUWROZZJPQS-GMTAPVOTSA-N 2 1 182.311 1.325 10 0 ADAEMP CC1C[NH+]([C@@H]2[C@@H](C)CC[NH2+][C@@H]2C)C1 306280744 345166223 /nfs/dbraw/zinc/16/62/23/345166223.db2.gz DFSMUWROZZJPQS-HBNTYKKESA-N 2 1 182.311 1.325 10 0 ADAEMP CC1C[NH+]([C@H]2[C@H](C)[NH2+]CC[C@H]2C)C1 306280746 345166229 /nfs/dbraw/zinc/16/62/29/345166229.db2.gz DFSMUWROZZJPQS-OUAUKWLOSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@H]1CC[C@H]([NH3+])CC1 306282953 345167419 /nfs/dbraw/zinc/16/74/19/345167419.db2.gz AIUUMQDGKYGXAH-GUBZILKMSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CC[C@H]([NH3+])CC1 306282955 345167624 /nfs/dbraw/zinc/16/76/24/345167624.db2.gz AIUUMQDGKYGXAH-OPRDCNLKSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCC2(CCCC2)C1 306282296 345167649 /nfs/dbraw/zinc/16/76/49/345167649.db2.gz NAOAOCKUYXVSRG-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]2C1 306286073 345169568 /nfs/dbraw/zinc/16/95/68/345169568.db2.gz CYVGEFONIRXOKO-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[NH+](CC2([NH3+])CCCC2)C1 306285920 345169841 /nfs/dbraw/zinc/16/98/41/345169841.db2.gz VXDWKRONMBEEDM-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]2C1 306286075 345169883 /nfs/dbraw/zinc/16/98/83/345169883.db2.gz CYVGEFONIRXOKO-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCC[C@@H]21 306289871 345172158 /nfs/dbraw/zinc/17/21/58/345172158.db2.gz OXMMFHLSAQQDMJ-GUBZILKMSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCC[C@H]21 306289872 345172223 /nfs/dbraw/zinc/17/22/23/345172223.db2.gz OXMMFHLSAQQDMJ-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@H]2CCC[C@@H]21 306289870 345172250 /nfs/dbraw/zinc/17/22/50/345172250.db2.gz OXMMFHLSAQQDMJ-AEJSXWLSSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCC[C@H]21 306289873 345172359 /nfs/dbraw/zinc/17/23/59/345172359.db2.gz OXMMFHLSAQQDMJ-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C1C[C@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 306291421 345173806 /nfs/dbraw/zinc/17/38/06/345173806.db2.gz RCZJGCUONLCCOZ-ILDUYXDCSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 306291421 345173808 /nfs/dbraw/zinc/17/38/08/345173808.db2.gz RCZJGCUONLCCOZ-ILDUYXDCSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 306291422 345173826 /nfs/dbraw/zinc/17/38/26/345173826.db2.gz RCZJGCUONLCCOZ-VQXHTEKXSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 306291422 345173828 /nfs/dbraw/zinc/17/38/28/345173828.db2.gz RCZJGCUONLCCOZ-VQXHTEKXSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@]1(C[NH3+])CC[N@@H+](CC2(F)CC2)C1 306297697 345178286 /nfs/dbraw/zinc/17/82/86/345178286.db2.gz CVRNMIDEBUINBQ-VIFPVBQESA-N 2 1 186.274 1.159 10 0 ADAEMP CC[C@](C)([C@H](C)[NH3+])[NH+]1CC(C)(C)C1 306297753 345178368 /nfs/dbraw/zinc/17/83/68/345178368.db2.gz CYHQNMAUBKUBQH-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@](C)([C@@H](C)[NH3+])[NH+]1CC(C)(C)C1 306297776 345178378 /nfs/dbraw/zinc/17/83/78/345178378.db2.gz CYHQNMAUBKUBQH-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@](C)([C@H](C)[NH3+])[NH+]1CC(C)(C)C1 306297786 345178468 /nfs/dbraw/zinc/17/84/68/345178468.db2.gz CYHQNMAUBKUBQH-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@]1(C[NH3+])CC[N@@H+](CC2(F)CC2)C1 306297687 345178541 /nfs/dbraw/zinc/17/85/41/345178541.db2.gz CVRNMIDEBUINBQ-SECBINFHSA-N 2 1 186.274 1.159 10 0 ADAEMP CC[C@@](C)([C@@H](C)[NH3+])[NH+]1CC(C)(C)C1 306297764 345178694 /nfs/dbraw/zinc/17/86/94/345178694.db2.gz CYHQNMAUBKUBQH-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@H+](C)[C@@H]1C[NH2+][C@@H](C)[C@H](C)C1 306299083 345179591 /nfs/dbraw/zinc/17/95/91/345179591.db2.gz KKYNXRGIDDZXOS-VWYCJHECSA-N 2 1 184.327 1.713 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1C[NH2+][C@@H](C)[C@H](C)C1 306299083 345179593 /nfs/dbraw/zinc/17/95/93/345179593.db2.gz KKYNXRGIDDZXOS-VWYCJHECSA-N 2 1 184.327 1.713 10 0 ADAEMP CC(C)[N@H+](C)[C@H]1C[NH2+][C@@H](C)[C@H](C)C1 306299082 345179756 /nfs/dbraw/zinc/17/97/56/345179756.db2.gz KKYNXRGIDDZXOS-OUAUKWLOSA-N 2 1 184.327 1.713 10 0 ADAEMP CC(C)[N@H+](C)[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 306299081 345179741 /nfs/dbraw/zinc/17/97/41/345179741.db2.gz KKYNXRGIDDZXOS-MXWKQRLJSA-N 2 1 184.327 1.713 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 306299081 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YKXDJUGJYXKQBD-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCCC12CCCC2 306303726 345183502 /nfs/dbraw/zinc/18/35/02/345183502.db2.gz BKLLZZLSMADKGR-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 306305206 345184643 /nfs/dbraw/zinc/18/46/43/345184643.db2.gz JFHTVWASSXPFMH-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 306305211 345184671 /nfs/dbraw/zinc/18/46/71/345184671.db2.gz JFHTVWASSXPFMH-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 306305208 345184736 /nfs/dbraw/zinc/18/47/36/345184736.db2.gz JFHTVWASSXPFMH-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 306305209 345184948 /nfs/dbraw/zinc/18/49/48/345184948.db2.gz JFHTVWASSXPFMH-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306306413 345186250 /nfs/dbraw/zinc/18/62/50/345186250.db2.gz LXIBAXNFHLTRFZ-PHIMTYICSA-N 2 1 182.311 1.328 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+]([C@@H]2[C@H]3CCCC[C@H]32)C1 306313471 345192358 /nfs/dbraw/zinc/19/23/58/345192358.db2.gz XURGSADEJASXNM-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1CC[N@H+]([C@@H]2[C@H]3CCCC[C@H]32)C1 306313471 345192361 /nfs/dbraw/zinc/19/23/61/345192361.db2.gz XURGSADEJASXNM-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2[C@H]3CCCC[C@H]32)C1 306313474 345192516 /nfs/dbraw/zinc/19/25/16/345192516.db2.gz XURGSADEJASXNM-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2[C@H]3CCCC[C@H]32)C1 306313474 345192521 /nfs/dbraw/zinc/19/25/21/345192521.db2.gz XURGSADEJASXNM-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP COc1cc[nH+]cc1[C@@H]1CC[C@H]([NH3+])C1 306322648 345199957 /nfs/dbraw/zinc/19/99/57/345199957.db2.gz CGQDOTNIGZMVTB-BDAKNGLRSA-N 2 1 192.262 1.685 10 0 ADAEMP COc1cc[nH+]cc1[C@H]1CC[C@H]([NH3+])C1 306322652 345200096 /nfs/dbraw/zinc/20/00/96/345200096.db2.gz CGQDOTNIGZMVTB-IUCAKERBSA-N 2 1 192.262 1.685 10 0 ADAEMP COc1cc[nH+]cc1[C@H]1CC[C@@H]([NH3+])C1 306322650 345200257 /nfs/dbraw/zinc/20/02/57/345200257.db2.gz CGQDOTNIGZMVTB-DTWKUNHWSA-N 2 1 192.262 1.685 10 0 ADAEMP COc1cc[nH+]cc1[C@@H]1CC[C@@H]([NH3+])C1 306322654 345200400 /nfs/dbraw/zinc/20/04/00/345200400.db2.gz CGQDOTNIGZMVTB-RKDXNWHRSA-N 2 1 192.262 1.685 10 0 ADAEMP CC1(C[N@H+]2CCC[C@H](C[NH3+])C2)CCC1 306343218 345216997 /nfs/dbraw/zinc/21/69/97/345216997.db2.gz KWMQNJWWDBKJKD-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP CC1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CCC1 306343219 345217032 /nfs/dbraw/zinc/21/70/32/345217032.db2.gz KWMQNJWWDBKJKD-NSHDSACASA-N 2 1 196.338 1.847 10 0 ADAEMP Cc1cc[nH+]c(C)c1NC1CC([NH3+])C1 306343887 345217705 /nfs/dbraw/zinc/21/77/05/345217705.db2.gz MFXMQECKYVGKMN-UHFFFAOYSA-N 2 1 191.278 1.600 10 0 ADAEMP CC[N@@H+](C)[C@H]1C[C@H](C)[NH2+][C@H](C)C1 306346585 345220722 /nfs/dbraw/zinc/22/07/22/345220722.db2.gz AIFYNKIIXLWJDE-ILWJIGKKSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@@H+](C)C1C[C@@H](C)[NH2+][C@H](C)C1 306346587 345220831 /nfs/dbraw/zinc/22/08/31/345220831.db2.gz AIFYNKIIXLWJDE-RKDXNWHRSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@@H+](C)C1C[C@H](C)[NH2+][C@@H](C)C1 306346586 345220908 /nfs/dbraw/zinc/22/09/08/345220908.db2.gz AIFYNKIIXLWJDE-IUCAKERBSA-N 2 1 170.300 1.467 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1C=CCCC1 306347147 345221209 /nfs/dbraw/zinc/22/12/09/345221209.db2.gz QUGBKUBIUAECSY-VWYCJHECSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1[C@H]1C=CCCC1 306347147 345221210 /nfs/dbraw/zinc/22/12/10/345221210.db2.gz QUGBKUBIUAECSY-VWYCJHECSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1[C@@H]1C=CCCC1 306347144 345221216 /nfs/dbraw/zinc/22/12/16/345221216.db2.gz QUGBKUBIUAECSY-GMTAPVOTSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@@H]1C=CCCC1 306347144 345221217 /nfs/dbraw/zinc/22/12/17/345221217.db2.gz QUGBKUBIUAECSY-GMTAPVOTSA-N 2 1 180.295 1.517 10 0 ADAEMP 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306347146 345221583 /nfs/dbraw/zinc/22/15/83/345221583.db2.gz QUGBKUBIUAECSY-OUAUKWLOSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1[C@H]1C=CCCC1 306347146 345221587 /nfs/dbraw/zinc/22/15/87/345221587.db2.gz QUGBKUBIUAECSY-OUAUKWLOSA-N 2 1 180.295 1.517 10 0 ADAEMP CC1(C)CC[C@H]1[N@H+]1CC[C@H](C[NH3+])C1 306351051 345223749 /nfs/dbraw/zinc/22/37/49/345223749.db2.gz WVOLTOWOODCWOJ-NXEZZACHSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC[C@@H]1[N@H+]1CC[C@H](C[NH3+])C1 306351054 345223775 /nfs/dbraw/zinc/22/37/75/345223775.db2.gz WVOLTOWOODCWOJ-ZJUUUORDSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC[C@H]1[N@H+]1CC[C@@H](C[NH3+])C1 306351053 345224103 /nfs/dbraw/zinc/22/41/03/345224103.db2.gz WVOLTOWOODCWOJ-VHSXEESVSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC[C@@H]1[N@H+]1CC[C@@H](C[NH3+])C1 306351052 345224155 /nfs/dbraw/zinc/22/41/55/345224155.db2.gz WVOLTOWOODCWOJ-UWVGGRQHSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]C1(C2=[NH+]CCN2)CCCCCC1 306355224 345227047 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/nfs/dbraw/zinc/23/71/04/345237104.db2.gz JEBDKJNRUATHIQ-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])CC[C@H]2CCC[C@@H]21 306368169 345237125 /nfs/dbraw/zinc/23/71/25/345237125.db2.gz JEBDKJNRUATHIQ-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])CC[C@H]2CCC[C@@H]21 306368169 345237126 /nfs/dbraw/zinc/23/71/26/345237126.db2.gz JEBDKJNRUATHIQ-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 306367805 345237231 /nfs/dbraw/zinc/23/72/31/345237231.db2.gz JTBRMYRVUHCXMP-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 306367804 345237264 /nfs/dbraw/zinc/23/72/64/345237264.db2.gz JTBRMYRVUHCXMP-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]12 306367807 345237290 /nfs/dbraw/zinc/23/72/90/345237290.db2.gz JTBRMYRVUHCXMP-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]12 306367808 345237326 /nfs/dbraw/zinc/23/73/26/345237326.db2.gz JTBRMYRVUHCXMP-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1[C@H](C[NH3+])CC[C@@H]2CCC[C@H]21 306368165 345237421 /nfs/dbraw/zinc/23/74/21/345237421.db2.gz JEBDKJNRUATHIQ-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@@H+]1[C@H](C[NH3+])CC[C@@H]2CCC[C@H]21 306368165 345237423 /nfs/dbraw/zinc/23/74/23/345237423.db2.gz JEBDKJNRUATHIQ-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC1 306369703 345238355 /nfs/dbraw/zinc/23/83/55/345238355.db2.gz BWDKNITVXQHGDF-JQWIXIFHSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC1 306369704 345238370 /nfs/dbraw/zinc/23/83/70/345238370.db2.gz BWDKNITVXQHGDF-PWSUYJOCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC1 306369705 345238383 /nfs/dbraw/zinc/23/83/83/345238383.db2.gz BWDKNITVXQHGDF-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC1 306369702 345238504 /nfs/dbraw/zinc/23/85/04/345238504.db2.gz BWDKNITVXQHGDF-CMPLNLGQSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H](CN)[N@@H+]1CC2CCC1CC2 306370405 345238934 /nfs/dbraw/zinc/23/89/34/345238934.db2.gz IQRNPWLWIHWXOP-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](CN)[N@H+]1CC2CCC1CC2 306370405 345238935 /nfs/dbraw/zinc/23/89/35/345238935.db2.gz IQRNPWLWIHWXOP-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CC2CCC1CC2 306370405 345238937 /nfs/dbraw/zinc/23/89/37/345238937.db2.gz IQRNPWLWIHWXOP-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CC2CCC1CC2 306370405 345238939 /nfs/dbraw/zinc/23/89/39/345238939.db2.gz IQRNPWLWIHWXOP-IDKOKCKLSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](CN)[N@@H+]1CC2CCC1CC2 306370407 345239325 /nfs/dbraw/zinc/23/93/25/345239325.db2.gz IQRNPWLWIHWXOP-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](CN)[N@H+]1CC2CCC1CC2 306370407 345239327 /nfs/dbraw/zinc/23/93/27/345239327.db2.gz IQRNPWLWIHWXOP-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC2CCC1CC2 306370407 345239330 /nfs/dbraw/zinc/23/93/30/345239330.db2.gz IQRNPWLWIHWXOP-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC2CCC1CC2 306370407 345239332 /nfs/dbraw/zinc/23/93/32/345239332.db2.gz IQRNPWLWIHWXOP-XNWIYYODSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[NH+]1C[C@H]2CCCC[C@@H]2C1 306374518 345241948 /nfs/dbraw/zinc/24/19/48/345241948.db2.gz VBXWSPURRBGOSJ-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](C[NH3+])[NH+]1C[C@@H]2CCCC[C@H]2C1 306374519 345242211 /nfs/dbraw/zinc/24/22/11/345242211.db2.gz VBXWSPURRBGOSJ-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)[C@H]([NH3+])CC[N@H+]1CC1CC1 306375995 345243092 /nfs/dbraw/zinc/24/30/92/345243092.db2.gz MWWYYNQSOVAISQ-SECBINFHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)[C@@H]([NH3+])CC[N@H+]1CC1CC1 306375996 345243155 /nfs/dbraw/zinc/24/31/55/345243155.db2.gz MWWYYNQSOVAISQ-VIFPVBQESA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CC[C@H](N)C1 306379342 345245269 /nfs/dbraw/zinc/24/52/69/345245269.db2.gz UJBAQRLXKVVMMC-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CC[C@H]([NH3+])C1 306379342 345245277 /nfs/dbraw/zinc/24/52/77/345245277.db2.gz UJBAQRLXKVVMMC-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CC[C@@H](N)C1 306379343 345245431 /nfs/dbraw/zinc/24/54/31/345245431.db2.gz UJBAQRLXKVVMMC-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C1 306379343 345245437 /nfs/dbraw/zinc/24/54/37/345245437.db2.gz UJBAQRLXKVVMMC-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CC[C@@H](N)C1 306379344 345245653 /nfs/dbraw/zinc/24/56/53/345245653.db2.gz UJBAQRLXKVVMMC-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]([C@H]1C[C@H]1C)[N@H+]1CC[C@@H]([NH3+])C1 306379344 345245659 /nfs/dbraw/zinc/24/56/59/345245659.db2.gz UJBAQRLXKVVMMC-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CC[C@H](N)C1 306379341 345245694 /nfs/dbraw/zinc/24/56/94/345245694.db2.gz UJBAQRLXKVVMMC-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 306379341 345245700 /nfs/dbraw/zinc/24/57/00/345245700.db2.gz UJBAQRLXKVVMMC-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1CCCC12CCCC2 306381121 345246750 /nfs/dbraw/zinc/24/67/50/345246750.db2.gz LEKYCGGITAEGKW-UHFFFAOYSA-N 2 1 181.283 1.331 10 0 ADAEMP NC(=[NH2+])C[N@H+]1CCCC12CCCC2 306381121 345246754 /nfs/dbraw/zinc/24/67/54/345246754.db2.gz LEKYCGGITAEGKW-UHFFFAOYSA-N 2 1 181.283 1.331 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCCSCC1 306387409 345251366 /nfs/dbraw/zinc/25/13/66/345251366.db2.gz NTEDIMGAWLDZMW-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCCSCC1 306387409 345251369 /nfs/dbraw/zinc/25/13/69/345251369.db2.gz NTEDIMGAWLDZMW-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CCCSCC1 306387408 345251486 /nfs/dbraw/zinc/25/14/86/345251486.db2.gz NTEDIMGAWLDZMW-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCCSCC1 306387408 345251487 /nfs/dbraw/zinc/25/14/87/345251487.db2.gz NTEDIMGAWLDZMW-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCCSCC1 306387410 345251496 /nfs/dbraw/zinc/25/14/96/345251496.db2.gz NTEDIMGAWLDZMW-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCCSCC1 306387410 345251497 /nfs/dbraw/zinc/25/14/97/345251497.db2.gz NTEDIMGAWLDZMW-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCCSCC1 306387407 345251539 /nfs/dbraw/zinc/25/15/39/345251539.db2.gz NTEDIMGAWLDZMW-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCCSCC1 306387407 345251541 /nfs/dbraw/zinc/25/15/41/345251541.db2.gz NTEDIMGAWLDZMW-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1C 306396331 345258127 /nfs/dbraw/zinc/25/81/27/345258127.db2.gz RSGFQLARKDNJFK-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H]1C 306396332 345258244 /nfs/dbraw/zinc/25/82/44/345258244.db2.gz RSGFQLARKDNJFK-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C1CC2(C1)CC[N@@H+]2C[C@H]1CC[NH2+]C1 306398812 345259615 /nfs/dbraw/zinc/25/96/15/345259615.db2.gz MQYOKZQCFPZFTH-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC2(C1)CC[N@@H+]2C[C@@H]1CC[NH2+]C1 306398813 345259644 /nfs/dbraw/zinc/25/96/44/345259644.db2.gz MQYOKZQCFPZFTH-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP Cc1sccc1[C@H]([NH3+])CN 306406753 345266171 /nfs/dbraw/zinc/26/61/71/345266171.db2.gz IKTAGYWYDCOKMS-SSDOTTSWSA-N 2 1 156.254 1.015 10 0 ADAEMP Cc1sccc1[C@@H]([NH3+])CN 306406755 345266578 /nfs/dbraw/zinc/26/65/78/345266578.db2.gz IKTAGYWYDCOKMS-ZETCQYMHSA-N 2 1 156.254 1.015 10 0 ADAEMP C/C=C/C[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306409279 345269062 /nfs/dbraw/zinc/26/90/62/345269062.db2.gz JTZDKCYMVSUOOQ-LZDJJOMISA-N 2 1 180.295 1.232 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306409278 345269248 /nfs/dbraw/zinc/26/92/48/345269248.db2.gz JTZDKCYMVSUOOQ-HRVXENIBSA-N 2 1 180.295 1.232 10 0 ADAEMP C/C=C/C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306409277 345269280 /nfs/dbraw/zinc/26/92/80/345269280.db2.gz JTZDKCYMVSUOOQ-GXAZKVDBSA-N 2 1 180.295 1.232 10 0 ADAEMP C/C=C/C[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306409280 345269355 /nfs/dbraw/zinc/26/93/55/345269355.db2.gz JTZDKCYMVSUOOQ-OYSAUNLESA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@](C)(C[NH3+])C1 306415225 345273615 /nfs/dbraw/zinc/27/36/15/345273615.db2.gz PPVDHCWOSSSGRJ-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CC[C@@](C)(C[NH3+])C1 306415223 345273811 /nfs/dbraw/zinc/27/38/11/345273811.db2.gz PPVDHCWOSSSGRJ-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CC[C@](C)(C[NH3+])C1 306415222 345273858 /nfs/dbraw/zinc/27/38/58/345273858.db2.gz PPVDHCWOSSSGRJ-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CC[C@](C)(C[NH3+])C1 306415224 345273984 /nfs/dbraw/zinc/27/39/84/345273984.db2.gz PPVDHCWOSSSGRJ-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@H]2CCCCC[C@H]21 306423737 345280202 /nfs/dbraw/zinc/28/02/02/345280202.db2.gz ICPDKSJZEQRVHA-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@H]2CCCCC[C@H]21 306423737 345280204 /nfs/dbraw/zinc/28/02/04/345280204.db2.gz ICPDKSJZEQRVHA-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@H]2CCCCC[C@@H]21 306423740 345280259 /nfs/dbraw/zinc/28/02/59/345280259.db2.gz ICPDKSJZEQRVHA-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@H]2CCCCC[C@@H]21 306423740 345280261 /nfs/dbraw/zinc/28/02/61/345280261.db2.gz ICPDKSJZEQRVHA-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@@H]2CCCCC[C@H]21 306423739 345280407 /nfs/dbraw/zinc/28/04/07/345280407.db2.gz ICPDKSJZEQRVHA-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@@H]2CCCCC[C@H]21 306423739 345280410 /nfs/dbraw/zinc/28/04/10/345280410.db2.gz ICPDKSJZEQRVHA-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@@H]2CCCCC[C@@H]21 306423738 345280527 /nfs/dbraw/zinc/28/05/27/345280527.db2.gz ICPDKSJZEQRVHA-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP CC1(C)C[N@@H+](CCC2CC2)CC[C@H]1[NH3+] 306426967 345284026 /nfs/dbraw/zinc/28/40/26/345284026.db2.gz INRIEGSFTQIZHZ-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[N@@H+](CCC2CC2)CC[C@@H]1[NH3+] 306426968 345284056 /nfs/dbraw/zinc/28/40/56/345284056.db2.gz INRIEGSFTQIZHZ-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](CCC2CC2)CC1 306428247 345285168 /nfs/dbraw/zinc/28/51/68/345285168.db2.gz KCHOKHSSDITRRR-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](CCC2CC2)CC1 306428246 345285504 /nfs/dbraw/zinc/28/55/04/345285504.db2.gz KCHOKHSSDITRRR-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C(C)C 306429373 345286619 /nfs/dbraw/zinc/28/66/19/345286619.db2.gz OTENJQLJVNIINM-GHMZBOCLSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C(C)C 306429374 345287252 /nfs/dbraw/zinc/28/72/52/345287252.db2.gz OTENJQLJVNIINM-MNOVXSKESA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C(C)C 306429375 345287266 /nfs/dbraw/zinc/28/72/66/345287266.db2.gz OTENJQLJVNIINM-QWRGUYRKSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C(C)C 306429376 345287301 /nfs/dbraw/zinc/28/73/01/345287301.db2.gz OTENJQLJVNIINM-WDEREUQCSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 306430283 345288628 /nfs/dbraw/zinc/28/86/28/345288628.db2.gz VBTYXHPIMMRWPZ-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[N@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 306430283 345288629 /nfs/dbraw/zinc/28/86/29/345288629.db2.gz VBTYXHPIMMRWPZ-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306438617 345298913 /nfs/dbraw/zinc/29/89/13/345298913.db2.gz MVIYHMQJHVTCOO-NAKRPEOUSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306438616 345298922 /nfs/dbraw/zinc/29/89/22/345298922.db2.gz MVIYHMQJHVTCOO-MMWGEVLESA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306438619 345298989 /nfs/dbraw/zinc/29/89/89/345298989.db2.gz MVIYHMQJHVTCOO-XWLWVQCSSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306438618 345298993 /nfs/dbraw/zinc/29/89/93/345298993.db2.gz MVIYHMQJHVTCOO-UKKRHICBSA-N 2 1 182.311 1.454 10 0 ADAEMP Cc1c[nH+]cn1C[C@@]1(C)CCC[NH2+]1 306442024 345302506 /nfs/dbraw/zinc/30/25/06/345302506.db2.gz JQTBKLFSXXSZMO-SNVBAGLBSA-N 2 1 179.267 1.334 10 0 ADAEMP Cc1c[nH+]cn1C[C@]1(C)CCC[NH2+]1 306442018 345302718 /nfs/dbraw/zinc/30/27/18/345302718.db2.gz JQTBKLFSXXSZMO-JTQLQIEISA-N 2 1 179.267 1.334 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)[C@H]2[NH2+][C@H]1CC[NH2+]C1 306442519 345303167 /nfs/dbraw/zinc/30/31/67/345303167.db2.gz KWRIASBSGYYUQU-UKKRHICBSA-N 2 1 180.295 1.127 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)[C@H]2[NH2+][C@@H]1CC[NH2+]C1 306442520 345303212 /nfs/dbraw/zinc/30/32/12/345303212.db2.gz KWRIASBSGYYUQU-ZNSHCXBVSA-N 2 1 180.295 1.127 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1CC[C@H]2CCC[C@H]21 306448803 345308324 /nfs/dbraw/zinc/30/83/24/345308324.db2.gz XGEIYGDWSRAULC-IWSPIJDZSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1CC[C@H]2CCC[C@H]21 306448803 345308329 /nfs/dbraw/zinc/30/83/29/345308329.db2.gz XGEIYGDWSRAULC-IWSPIJDZSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1CC[C@@H]2CCC[C@@H]21 306448804 345308443 /nfs/dbraw/zinc/30/84/43/345308443.db2.gz XGEIYGDWSRAULC-VGMNWLOBSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1CC[C@@H]2CCC[C@@H]21 306448804 345308447 /nfs/dbraw/zinc/30/84/47/345308447.db2.gz XGEIYGDWSRAULC-VGMNWLOBSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1CC[C@@H]2CCC[C@H]21 306448802 345308631 /nfs/dbraw/zinc/30/86/31/345308631.db2.gz XGEIYGDWSRAULC-HRDYMLBCSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1CC[C@@H]2CCC[C@H]21 306448802 345308636 /nfs/dbraw/zinc/30/86/36/345308636.db2.gz XGEIYGDWSRAULC-HRDYMLBCSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+]1CC[C@H]2CCC[C@@H]21 306448801 345308848 /nfs/dbraw/zinc/30/88/48/345308848.db2.gz XGEIYGDWSRAULC-HLTSFMKQSA-N 2 1 181.283 1.185 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+]1CC[C@H]2CCC[C@@H]21 306448801 345308852 /nfs/dbraw/zinc/30/88/52/345308852.db2.gz XGEIYGDWSRAULC-HLTSFMKQSA-N 2 1 181.283 1.185 10 0 ADAEMP Cc1[nH+]cc([C@@H](C)[C@H](C)[NH3+])n1C 306450419 345310732 /nfs/dbraw/zinc/31/07/32/345310732.db2.gz PIMIIAYPHMQTCI-BQBZGAKWSA-N 2 1 167.256 1.179 10 0 ADAEMP Cc1[nH+]cc([C@@H](C)[C@@H](C)[NH3+])n1C 306450420 345310742 /nfs/dbraw/zinc/31/07/42/345310742.db2.gz PIMIIAYPHMQTCI-NKWVEPMBSA-N 2 1 167.256 1.179 10 0 ADAEMP Cc1[nH+]cc([C@H](C)[C@H](C)[NH3+])n1C 306450422 345310827 /nfs/dbraw/zinc/31/08/27/345310827.db2.gz PIMIIAYPHMQTCI-RQJHMYQMSA-N 2 1 167.256 1.179 10 0 ADAEMP Cc1[nH+]cc([C@H](C)[C@@H](C)[NH3+])n1C 306450421 345310869 /nfs/dbraw/zinc/31/08/69/345310869.db2.gz PIMIIAYPHMQTCI-RNFRBKRXSA-N 2 1 167.256 1.179 10 0 ADAEMP CCC[N@@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 306453537 345313506 /nfs/dbraw/zinc/31/35/06/345313506.db2.gz OBFNBOQGVXECJK-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 306453537 345313508 /nfs/dbraw/zinc/31/35/08/345313508.db2.gz OBFNBOQGVXECJK-WDEREUQCSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]2[NH2+]CCC[C@@H]21 306453535 345313611 /nfs/dbraw/zinc/31/36/11/345313611.db2.gz OBFNBOQGVXECJK-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2[NH2+]CCC[C@@H]21 306453535 345313612 /nfs/dbraw/zinc/31/36/12/345313612.db2.gz OBFNBOQGVXECJK-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@@H+]1CCC[C@@H]2[NH2+]CCC[C@@H]21 306453536 345313637 /nfs/dbraw/zinc/31/36/37/345313637.db2.gz OBFNBOQGVXECJK-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2[NH2+]CCC[C@@H]21 306453536 345313638 /nfs/dbraw/zinc/31/36/38/345313638.db2.gz OBFNBOQGVXECJK-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 306453534 345313680 /nfs/dbraw/zinc/31/36/80/345313680.db2.gz OBFNBOQGVXECJK-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 306453534 345313681 /nfs/dbraw/zinc/31/36/81/345313681.db2.gz OBFNBOQGVXECJK-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@]1(C[N@@H+]2CC[C@@H]2C)CCC[NH2+]1 306455269 345314917 /nfs/dbraw/zinc/31/49/17/345314917.db2.gz NTWQVZNTQWPUBS-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@]1(C[N@H+]2CC[C@@H]2C)CCC[NH2+]1 306455269 345314918 /nfs/dbraw/zinc/31/49/18/345314918.db2.gz NTWQVZNTQWPUBS-QWRGUYRKSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@]1(C[N@@H+]2CC[C@H]2C)CCC[NH2+]1 306455267 345314931 /nfs/dbraw/zinc/31/49/31/345314931.db2.gz NTWQVZNTQWPUBS-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@]1(C[N@H+]2CC[C@H]2C)CCC[NH2+]1 306455267 345314932 /nfs/dbraw/zinc/31/49/32/345314932.db2.gz NTWQVZNTQWPUBS-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@]1(C[N@@H+]2CC[C@H]2C)CCC[NH2+]1 306455268 345315031 /nfs/dbraw/zinc/31/50/31/345315031.db2.gz NTWQVZNTQWPUBS-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@]1(C[N@H+]2CC[C@H]2C)CCC[NH2+]1 306455268 345315034 /nfs/dbraw/zinc/31/50/34/345315034.db2.gz NTWQVZNTQWPUBS-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCC1 306456104 345315268 /nfs/dbraw/zinc/31/52/68/345315268.db2.gz QSJNTMDSYBWLRX-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CCCC[C@]1(C[NH3+])[NH+]1CCC1 306456105 345315406 /nfs/dbraw/zinc/31/54/06/345315406.db2.gz QSJNTMDSYBWLRX-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH+]1CCC1 306456102 345315606 /nfs/dbraw/zinc/31/56/06/345315606.db2.gz QSJNTMDSYBWLRX-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCC1 306456103 345315685 /nfs/dbraw/zinc/31/56/85/345315685.db2.gz QSJNTMDSYBWLRX-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP CC1CCC(C[NH3+])([NH+]2CCC2)CC1 306456340 345315870 /nfs/dbraw/zinc/31/58/70/345315870.db2.gz SLBPEPBNVGHAAU-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CCC[C@H](C[NH3+])C1 306456986 345316368 /nfs/dbraw/zinc/31/63/68/345316368.db2.gz XYDWYIXNKILASB-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H](C[NH3+])C1 306456987 345316540 /nfs/dbraw/zinc/31/65/40/345316540.db2.gz XYDWYIXNKILASB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H](C[NH3+])C1 306456989 345316582 /nfs/dbraw/zinc/31/65/82/345316582.db2.gz XYDWYIXNKILASB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)([NH3+])Cc1c[nH+]cn1C1CC1 306456769 345316614 /nfs/dbraw/zinc/31/66/14/345316614.db2.gz VXLZREVLQXPTMT-UHFFFAOYSA-N 2 1 179.267 1.498 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H](C[NH3+])C1 306456988 345316668 /nfs/dbraw/zinc/31/66/68/345316668.db2.gz XYDWYIXNKILASB-OUAUKWLOSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1([NH3+])CC[NH+](CC2(F)CC2)CC1 306460734 345319885 /nfs/dbraw/zinc/31/98/85/345319885.db2.gz FPDHDUOZOFVRKS-UHFFFAOYSA-N 2 1 186.274 1.302 10 0 ADAEMP Cc1cc(NC2C[NH+](C)C2)cc[nH+]1 306467341 345328712 /nfs/dbraw/zinc/32/87/12/345328712.db2.gz KUJDELDCZHCQKD-UHFFFAOYSA-N 2 1 177.251 1.116 10 0 ADAEMP CC(C)([NH3+])[C@H](F)c1c[nH+]ccc1N 306474495 345338890 /nfs/dbraw/zinc/33/88/90/345338890.db2.gz FXWKEVINLGXTNB-MRVPVSSYSA-N 2 1 183.230 1.412 10 0 ADAEMP CC(C)([NH3+])[C@@H](F)c1c[nH+]ccc1N 306474496 345339052 /nfs/dbraw/zinc/33/90/52/345339052.db2.gz FXWKEVINLGXTNB-QMMMGPOBSA-N 2 1 183.230 1.412 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]C1 306476558 345342073 /nfs/dbraw/zinc/34/20/73/345342073.db2.gz YYJAQZXJGGBPQZ-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 306476553 345342119 /nfs/dbraw/zinc/34/21/19/345342119.db2.gz YYJAQZXJGGBPQZ-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 306476559 345342146 /nfs/dbraw/zinc/34/21/46/345342146.db2.gz YYJAQZXJGGBPQZ-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]C1 306476557 345342277 /nfs/dbraw/zinc/34/22/77/345342277.db2.gz YYJAQZXJGGBPQZ-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[C@H]2CC[N@H+](CC3C[NH2+]C3)[C@H]2C1 306484257 345352651 /nfs/dbraw/zinc/35/26/51/345352651.db2.gz NERVFISEYJXSJW-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@@H]2CC[N@H+](CC3C[NH2+]C3)[C@@H]2C1 306484251 345352699 /nfs/dbraw/zinc/35/26/99/345352699.db2.gz NERVFISEYJXSJW-GHMZBOCLSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@H]2[C@H](C1)CC[N@@H+]2CC1C[NH2+]C1 306484254 345352991 /nfs/dbraw/zinc/35/29/91/345352991.db2.gz NERVFISEYJXSJW-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@H]2CC[N@H+](CC3C[NH2+]C3)[C@@H]2C1 306484259 345353033 /nfs/dbraw/zinc/35/30/33/345353033.db2.gz NERVFISEYJXSJW-WDEREUQCSA-N 2 1 180.295 1.080 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CC2CCC1CC2 306485927 345355492 /nfs/dbraw/zinc/35/54/92/345355492.db2.gz SDPVNGRFOIZFJH-WHXUTIOJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CC2CCC1CC2 306485927 345355494 /nfs/dbraw/zinc/35/54/94/345355494.db2.gz SDPVNGRFOIZFJH-WHXUTIOJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@H]([NH+](C)C2CC2)CC[N@@H+]1C 306486835 345356477 /nfs/dbraw/zinc/35/64/77/345356477.db2.gz OXKPHTKAQUVVIP-MWLCHTKSSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@H]([NH+](C)C2CC2)CC[N@H+]1C 306486835 345356479 /nfs/dbraw/zinc/35/64/79/345356479.db2.gz OXKPHTKAQUVVIP-MWLCHTKSSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+](C)C2CC2)CC[NH+]1C 306486835 345356481 /nfs/dbraw/zinc/35/64/81/345356481.db2.gz OXKPHTKAQUVVIP-MWLCHTKSSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+](C)C2CC2)CC[NH+]1C 306486835 345356483 /nfs/dbraw/zinc/35/64/83/345356483.db2.gz OXKPHTKAQUVVIP-MWLCHTKSSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@@H]([NH+](C)C2CC2)CC[N@@H+]1C 306486837 345356548 /nfs/dbraw/zinc/35/65/48/345356548.db2.gz OXKPHTKAQUVVIP-ONGXEEELSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@@H]([NH+](C)C2CC2)CC[N@H+]1C 306486837 345356549 /nfs/dbraw/zinc/35/65/49/345356549.db2.gz OXKPHTKAQUVVIP-ONGXEEELSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+](C)C2CC2)CC[NH+]1C 306486837 345356552 /nfs/dbraw/zinc/35/65/52/345356552.db2.gz OXKPHTKAQUVVIP-ONGXEEELSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+](C)C2CC2)CC[NH+]1C 306486837 345356554 /nfs/dbraw/zinc/35/65/54/345356554.db2.gz OXKPHTKAQUVVIP-ONGXEEELSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@@H]([NH+](C)C2CC2)CC[N@@H+]1C 306486833 345356608 /nfs/dbraw/zinc/35/66/08/345356608.db2.gz OXKPHTKAQUVVIP-KOLCDFICSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@@H]([NH+](C)C2CC2)CC[N@H+]1C 306486833 345356609 /nfs/dbraw/zinc/35/66/09/345356609.db2.gz OXKPHTKAQUVVIP-KOLCDFICSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@@H]([N@H+](C)C2CC2)CC[NH+]1C 306486833 345356611 /nfs/dbraw/zinc/35/66/11/345356611.db2.gz OXKPHTKAQUVVIP-KOLCDFICSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC2)CC[NH+]1C 306486833 345356612 /nfs/dbraw/zinc/35/66/12/345356612.db2.gz OXKPHTKAQUVVIP-KOLCDFICSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@H]([NH+](C)C2CC2)CC[N@@H+]1C 306486831 345356730 /nfs/dbraw/zinc/35/67/30/345356730.db2.gz OXKPHTKAQUVVIP-GXSJLCMTSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@H]([NH+](C)C2CC2)CC[N@H+]1C 306486831 345356734 /nfs/dbraw/zinc/35/67/34/345356734.db2.gz OXKPHTKAQUVVIP-GXSJLCMTSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@H]([N@H+](C)C2CC2)CC[NH+]1C 306486831 345356736 /nfs/dbraw/zinc/35/67/36/345356736.db2.gz OXKPHTKAQUVVIP-GXSJLCMTSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+](C)C2CC2)CC[NH+]1C 306486831 345356740 /nfs/dbraw/zinc/35/67/40/345356740.db2.gz OXKPHTKAQUVVIP-GXSJLCMTSA-N 2 1 182.311 1.563 10 0 ADAEMP C[C@H]1CCC[N@H+]1[C@H]1CC[C@H]([NH3+])CC1 306487019 345357083 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GRWQUUKZDBISAQ-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]1CCC[C@@]([NH3+])(C[NH+]2CCC2)C1 306521816 345393796 /nfs/dbraw/zinc/39/37/96/345393796.db2.gz GRWQUUKZDBISAQ-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CC=CC[C@H]2C1 306522218 345394505 /nfs/dbraw/zinc/39/45/05/345394505.db2.gz PFSNCCHSIOCYCH-PHIMTYICSA-N 2 1 194.322 1.622 10 0 ADAEMP Cc1ccc[nH+]c1N(C)C1CC([NH3+])C1 306532647 345404517 /nfs/dbraw/zinc/40/45/17/345404517.db2.gz BWYRTJCAUJRCEI-UHFFFAOYSA-N 2 1 191.278 1.316 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C[NH3+])CC2)C(C)(C)C1 306533076 345405182 /nfs/dbraw/zinc/40/51/82/345405182.db2.gz CHSPWJFUTREWGI-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP CCc1nc(N[C@H](C)C[NH3+])cc(C)[nH+]1 306532924 345405205 /nfs/dbraw/zinc/40/52/05/345405205.db2.gz HAOZLXOYVHDIDO-MRVPVSSYSA-N 2 1 194.282 1.107 10 0 ADAEMP CCC1(C)C[NH+](C2(C[NH3+])CCCC2)C1 306533037 345405318 /nfs/dbraw/zinc/40/53/18/345405318.db2.gz CCVIIRYKIJMZDX-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 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345407249 /nfs/dbraw/zinc/40/72/49/345407249.db2.gz DSHGWEMYCJTONF-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP CNCC(C)(C)[N@H+]1C[C@@H](C)C[C@@H]1C 306534459 345407253 /nfs/dbraw/zinc/40/72/53/345407253.db2.gz DSHGWEMYCJTONF-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC1(C)C 306534648 345407544 /nfs/dbraw/zinc/40/75/44/345407544.db2.gz OIAIQYYECCLIEX-JTQLQIEISA-N 2 1 170.300 1.502 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CCC1(C)C 306534649 345407667 /nfs/dbraw/zinc/40/76/67/345407667.db2.gz OIAIQYYECCLIEX-SNVBAGLBSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2C[NH2+]C2)C(C)(C)C1 306535490 345408454 /nfs/dbraw/zinc/40/84/54/345408454.db2.gz GIZIBYAOQPVGFD-SNVBAGLBSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2C[NH2+]C2)C(C)(C)C1 306535489 345408522 /nfs/dbraw/zinc/40/85/22/345408522.db2.gz GIZIBYAOQPVGFD-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1C[NH2+]C1 306536935 345410176 /nfs/dbraw/zinc/41/01/76/345410176.db2.gz IEGKCZVEAFOFDD-PHIMTYICSA-N 2 1 180.295 1.223 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CCC[C@H]([NH3+])C1 306538309 345411915 /nfs/dbraw/zinc/41/19/15/345411915.db2.gz JPNKCWODYINGBV-ONGXEEELSA-N 2 1 193.294 1.888 10 0 ADAEMP CC[C@@H](CN)[N@H+]1CCC2(CCCC2)C1 306538334 345412016 /nfs/dbraw/zinc/41/20/16/345412016.db2.gz MBKPYJOZMCEEFV-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H](C[NH3+])[N@@H+]1CCC2(CCCC2)C1 306538334 345412019 /nfs/dbraw/zinc/41/20/19/345412019.db2.gz MBKPYJOZMCEEFV-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H](C[NH3+])[N@H+]1CCC2(CCCC2)C1 306538334 345412023 /nfs/dbraw/zinc/41/20/23/345412023.db2.gz MBKPYJOZMCEEFV-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H](CN)[N@H+]1CCC2(CCCC2)C1 306538333 345412113 /nfs/dbraw/zinc/41/21/13/345412113.db2.gz MBKPYJOZMCEEFV-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1CCC2(CCCC2)C1 306538333 345412115 /nfs/dbraw/zinc/41/21/15/345412115.db2.gz MBKPYJOZMCEEFV-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1CCC2(CCCC2)C1 306538333 345412118 /nfs/dbraw/zinc/41/21/18/345412118.db2.gz MBKPYJOZMCEEFV-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CCC[C@@H]([NH3+])C1 306538308 345412220 /nfs/dbraw/zinc/41/22/20/345412220.db2.gz JPNKCWODYINGBV-MWLCHTKSSA-N 2 1 193.294 1.888 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CCC[C@H]([NH3+])C1 306538306 345412292 /nfs/dbraw/zinc/41/22/92/345412292.db2.gz JPNKCWODYINGBV-GXSJLCMTSA-N 2 1 193.294 1.888 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CC[C@H]1C 306539422 345413151 /nfs/dbraw/zinc/41/31/51/345413151.db2.gz NHNDIKGPLNQSAK-DJLDLDEBSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CC[C@H]1C 306539424 345413229 /nfs/dbraw/zinc/41/32/29/345413229.db2.gz NHNDIKGPLNQSAK-YIZRAAEISA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])C[C@H](C)[N@H+]1CC[C@@H]1C 306539421 345413450 /nfs/dbraw/zinc/41/34/50/345413450.db2.gz NHNDIKGPLNQSAK-CIUDSAMLSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CC[C@@H]1C 306539423 345413470 /nfs/dbraw/zinc/41/34/70/345413470.db2.gz NHNDIKGPLNQSAK-XHNCKOQMSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 306545071 345419233 /nfs/dbraw/zinc/41/92/33/345419233.db2.gz AMMCGJSFEICSND-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 306545076 345419251 /nfs/dbraw/zinc/41/92/51/345419251.db2.gz AMMCGJSFEICSND-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+]C/C=C/C[N@H+]1CCC2(CCCC2)C1 306545224 345419337 /nfs/dbraw/zinc/41/93/37/345419337.db2.gz VPVVAYMLJFXCHO-ONEGZZNKSA-N 2 1 194.322 1.767 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 306545082 345419350 /nfs/dbraw/zinc/41/93/50/345419350.db2.gz AMMCGJSFEICSND-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 306545067 345419383 /nfs/dbraw/zinc/41/93/83/345419383.db2.gz AMMCGJSFEICSND-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CCCC1 306546172 345420268 /nfs/dbraw/zinc/42/02/68/345420268.db2.gz BISDDSHZWVVOMZ-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCCC1 306546165 345420323 /nfs/dbraw/zinc/42/03/23/345420323.db2.gz BISDDSHZWVVOMZ-CMPLNLGQSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCC1CCCC1 306546177 345420428 /nfs/dbraw/zinc/42/04/28/345420428.db2.gz BISDDSHZWVVOMZ-PWSUYJOCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CCCC1 306546179 345420615 /nfs/dbraw/zinc/42/06/15/345420615.db2.gz BISDDSHZWVVOMZ-ZYHUDNBSSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)[C@H]2C[N@H+](C(C)(C)C[NH3+])C[C@H]21 306548700 345423489 /nfs/dbraw/zinc/42/34/89/345423489.db2.gz DBBZZNHUQJXOLS-DTORHVGOSA-N 2 1 182.311 1.312 10 0 ADAEMP CS[C@@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 306549912 345424646 /nfs/dbraw/zinc/42/46/46/345424646.db2.gz FADCXCHGPMYKGP-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 306549912 345424647 /nfs/dbraw/zinc/42/46/47/345424647.db2.gz FADCXCHGPMYKGP-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 306549911 345424726 /nfs/dbraw/zinc/42/47/26/345424726.db2.gz FADCXCHGPMYKGP-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 306549911 345424728 /nfs/dbraw/zinc/42/47/28/345424728.db2.gz FADCXCHGPMYKGP-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@@H]1CCC[N@H+](C[C@@H](C)[NH3+])C1 306549914 345425405 /nfs/dbraw/zinc/42/54/05/345425405.db2.gz FADCXCHGPMYKGP-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@@H]1CCC[N@@H+](C[C@@H](C)[NH3+])C1 306549914 345425407 /nfs/dbraw/zinc/42/54/07/345425407.db2.gz FADCXCHGPMYKGP-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@H]1CCC[N@H+](C[C@H](C)[NH3+])C1 306549913 345425471 /nfs/dbraw/zinc/42/54/71/345425471.db2.gz FADCXCHGPMYKGP-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CS[C@H]1CCC[N@@H+](C[C@H](C)[NH3+])C1 306549913 345425473 /nfs/dbraw/zinc/42/54/73/345425473.db2.gz FADCXCHGPMYKGP-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 306550552 345426093 /nfs/dbraw/zinc/42/60/93/345426093.db2.gz HUHUVVHUTOJKNU-CABZTGNLSA-N 2 1 194.322 1.611 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[C@H]([NH3+])C1 306551716 345426983 /nfs/dbraw/zinc/42/69/83/345426983.db2.gz JYYWEPDXLGTQMI-VHSXEESVSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCC[C@H]([NH3+])C1 306551714 345427100 /nfs/dbraw/zinc/42/71/00/345427100.db2.gz JYYWEPDXLGTQMI-UWVGGRQHSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CCC[C@@H]([NH3+])C1 306551719 345427124 /nfs/dbraw/zinc/42/71/24/345427124.db2.gz JYYWEPDXLGTQMI-ZJUUUORDSA-N 2 1 179.267 1.634 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CCC[C@@H]([NH3+])C1 306551711 345427147 /nfs/dbraw/zinc/42/71/47/345427147.db2.gz JYYWEPDXLGTQMI-NXEZZACHSA-N 2 1 179.267 1.634 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@@H]2CC[NH2+][C@@H]2C1 306553546 345428914 /nfs/dbraw/zinc/42/89/14/345428914.db2.gz BQRZCCOGJOVLDK-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[C@@H]1CC[NH2+]C1 306553735 345428950 /nfs/dbraw/zinc/42/89/50/345428950.db2.gz GSPXMBVYYOJUJD-MXWKQRLJSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[C@H]1CC[NH2+]C1 306553737 345428962 /nfs/dbraw/zinc/42/89/62/345428962.db2.gz GSPXMBVYYOJUJD-VWYCJHECSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@H]2CC[NH2+][C@@H]2C1 306553543 345429072 /nfs/dbraw/zinc/42/90/72/345429072.db2.gz BQRZCCOGJOVLDK-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@@H]2CC[NH2+][C@H]2C1 306554051 345429364 /nfs/dbraw/zinc/42/93/64/345429364.db2.gz BQRZCCOGJOVLDK-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1 306554052 345429631 /nfs/dbraw/zinc/42/96/31/345429631.db2.gz BQRZCCOGJOVLDK-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C1(C[N@H+]2CC[C@H](C)C2)CCCC1 306554817 345430798 /nfs/dbraw/zinc/43/07/98/345430798.db2.gz LQUJQLQFDCTBLZ-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C1(C[N@H+]2CC[C@@H](C)C2)CCCC1 306554816 345430823 /nfs/dbraw/zinc/43/08/23/345430823.db2.gz LQUJQLQFDCTBLZ-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[C@H]2C)C1 306558156 345434074 /nfs/dbraw/zinc/43/40/74/345434074.db2.gz KABJYDXPAHJPNV-RMPHRYRLSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)[C@H]1C 306558155 345434110 /nfs/dbraw/zinc/43/41/10/345434110.db2.gz KABJYDXPAHJPNV-KKJSVHSVSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2C[C@H](C)[C@H]2C)C1 306558157 345434170 /nfs/dbraw/zinc/43/41/70/345434170.db2.gz KABJYDXPAHJPNV-RNWYCLNJSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[C@@H]2C)C1 306558158 345434219 /nfs/dbraw/zinc/43/42/19/345434219.db2.gz KABJYDXPAHJPNV-YBXAARCKSA-N 2 1 196.338 1.700 10 0 ADAEMP C[C@@H]1C[N@H+](CC2=CCCC2)C[C@H]1[NH3+] 306559488 345434968 /nfs/dbraw/zinc/43/49/68/345434968.db2.gz ALHTYPLNWRTFEM-MWLCHTKSSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@H]1[NH3+] 306559488 345434971 /nfs/dbraw/zinc/43/49/71/345434971.db2.gz ALHTYPLNWRTFEM-MWLCHTKSSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]1C[N@H+](CC2=CCCC2)C[C@H]1[NH3+] 306559486 345435027 /nfs/dbraw/zinc/43/50/27/345435027.db2.gz ALHTYPLNWRTFEM-GXSJLCMTSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]1C[N@@H+](CC2=CCCC2)C[C@H]1[NH3+] 306559486 345435031 /nfs/dbraw/zinc/43/50/31/345435031.db2.gz ALHTYPLNWRTFEM-GXSJLCMTSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@@H]1C[N@H+](CC2=CCCC2)C[C@@H]1[NH3+] 306559487 345435168 /nfs/dbraw/zinc/43/51/68/345435168.db2.gz ALHTYPLNWRTFEM-KOLCDFICSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@@H]1[NH3+] 306559487 345435173 /nfs/dbraw/zinc/43/51/73/345435173.db2.gz ALHTYPLNWRTFEM-KOLCDFICSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]1C[N@H+](CC2=CCCC2)C[C@@H]1[NH3+] 306559490 345435282 /nfs/dbraw/zinc/43/52/82/345435282.db2.gz ALHTYPLNWRTFEM-ONGXEEELSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]1C[N@@H+](CC2=CCCC2)C[C@@H]1[NH3+] 306559490 345435284 /nfs/dbraw/zinc/43/52/84/345435284.db2.gz ALHTYPLNWRTFEM-ONGXEEELSA-N 2 1 180.295 1.376 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1C[C@H]([NH3+])C1(C)C 306559749 345435548 /nfs/dbraw/zinc/43/55/48/345435548.db2.gz ATBAMQUUFVYEGK-VHSXEESVSA-N 2 1 193.294 1.744 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1C[C@H]([NH3+])C1(C)C 306559748 345435597 /nfs/dbraw/zinc/43/55/97/345435597.db2.gz ATBAMQUUFVYEGK-UWVGGRQHSA-N 2 1 193.294 1.744 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+]1C[C@H]2C[C@H]2C1 306559596 345435672 /nfs/dbraw/zinc/43/56/72/345435672.db2.gz QROOZTDJGLFCHJ-QCLAVDOMSA-N 2 1 168.284 1.064 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1C[C@@H]([NH3+])C1(C)C 306559750 345435714 /nfs/dbraw/zinc/43/57/14/345435714.db2.gz ATBAMQUUFVYEGK-ZJUUUORDSA-N 2 1 193.294 1.744 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1C[C@@H]([NH3+])C1(C)C 306559746 345435867 /nfs/dbraw/zinc/43/58/67/345435867.db2.gz ATBAMQUUFVYEGK-NXEZZACHSA-N 2 1 193.294 1.744 10 0 ADAEMP [NH3+]CC[C@@H]([NH3+])c1c(F)cccc1F 306561422 345437048 /nfs/dbraw/zinc/43/70/48/345437048.db2.gz BUCKQQQVEDCOAI-MRVPVSSYSA-N 2 1 186.205 1.313 10 0 ADAEMP [NH3+]CC[C@H]([NH3+])c1c(F)cccc1F 306561423 345437169 /nfs/dbraw/zinc/43/71/69/345437169.db2.gz BUCKQQQVEDCOAI-QMMMGPOBSA-N 2 1 186.205 1.313 10 0 ADAEMP [NH3+]CC1([N@H+]2CCC3(CCC3)C2)CCC1 306561028 345437320 /nfs/dbraw/zinc/43/73/20/345437320.db2.gz SLOLCEIKBAJDDZ-UHFFFAOYSA-N 2 1 194.322 1.744 10 0 ADAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2=CCCC2)C1 306561506 345437653 /nfs/dbraw/zinc/43/76/53/345437653.db2.gz BXGDONSLHICOAG-ZYHUDNBSSA-N 2 1 194.322 1.766 10 0 ADAEMP CC(C)C(C)(C)[NH2+][C@@H]1CCC[NH2+]C1 306561705 345437671 /nfs/dbraw/zinc/43/76/71/345437671.db2.gz NOKNBQQPDYDGRN-SNVBAGLBSA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2=CCCC2)C1 306561505 345437755 /nfs/dbraw/zinc/43/77/55/345437755.db2.gz BXGDONSLHICOAG-PWSUYJOCSA-N 2 1 194.322 1.766 10 0 ADAEMP CC1(C)[C@H]([NH3+])CC[N@H+]1CCCF 306562315 345438069 /nfs/dbraw/zinc/43/80/69/345438069.db2.gz CIPSSTUROHMKGT-MRVPVSSYSA-N 2 1 174.263 1.158 10 0 ADAEMP CC1(C)[C@@H]([NH3+])CC[N@H+]1CCCF 306562316 345438114 /nfs/dbraw/zinc/43/81/14/345438114.db2.gz CIPSSTUROHMKGT-QMMMGPOBSA-N 2 1 174.263 1.158 10 0 ADAEMP C[NH2+]C1(C[N@@H+]2CC=CCC2)CCCC1 306562997 345438453 /nfs/dbraw/zinc/43/84/53/345438453.db2.gz PBRXREMHEWJGKA-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP CC[C@@H]([NH3+])[C@H](C)[N@H+]1CCC2(CCC2)C1 306563608 345439494 /nfs/dbraw/zinc/43/94/94/345439494.db2.gz VRAHKKBXCHHDOH-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP Cc1ccc[nH+]c1NCC1C[NH2+]C1 306564107 345440096 /nfs/dbraw/zinc/44/00/96/345440096.db2.gz DNQHEEGNMGQUBP-UHFFFAOYSA-N 2 1 177.251 1.021 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H]1C 306564720 345440408 /nfs/dbraw/zinc/44/04/08/345440408.db2.gz XFHNKWJVSKIVNT-RHYQMDGZSA-N 2 1 196.338 1.715 10 0 ADAEMP C1=C(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 306564564 345440443 /nfs/dbraw/zinc/44/04/43/345440443.db2.gz DWKHWDHWQYHPMO-TXEJJXNPSA-N 2 1 192.306 1.248 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H]1C 306564715 345440498 /nfs/dbraw/zinc/44/04/98/345440498.db2.gz XFHNKWJVSKIVNT-KKOKHZNYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H]1C 306564718 345440559 /nfs/dbraw/zinc/44/05/59/345440559.db2.gz XFHNKWJVSKIVNT-KXNHARMFSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@@H+](CC1=CCCC1)C1CC[NH2+]CC1 306566071 345442571 /nfs/dbraw/zinc/44/25/71/345442571.db2.gz FWZBXDGAYMZMCB-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 306566266 345442839 /nfs/dbraw/zinc/44/28/39/345442839.db2.gz SBXYHALBJBPHLT-BJDJZHNGSA-N 2 1 196.338 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306566268 345442883 /nfs/dbraw/zinc/44/28/83/345442883.db2.gz SBXYHALBJBPHLT-NNYUYHANSA-N 2 1 196.338 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306566267 345443065 /nfs/dbraw/zinc/44/30/65/345443065.db2.gz SBXYHALBJBPHLT-FIQHERPVSA-N 2 1 196.338 1.700 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306566269 345443096 /nfs/dbraw/zinc/44/30/96/345443096.db2.gz SBXYHALBJBPHLT-YFKTTZPYSA-N 2 1 196.338 1.700 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[C@@H](C[NH3+])C1 306567232 345443266 /nfs/dbraw/zinc/44/32/66/345443266.db2.gz ZOINWPSGKUPGMG-ZJUUUORDSA-N 2 1 179.267 1.491 10 0 ADAEMP CC[C@H]1C[C@@H](C)C[N@H+]1CC1C[NH2+]C1 306566898 345443319 /nfs/dbraw/zinc/44/33/19/345443319.db2.gz GKBOKDVMUWMEPW-KOLCDFICSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@H]1C[C@H](C)C[N@H+]1CC1C[NH2+]C1 306566900 345443329 /nfs/dbraw/zinc/44/33/29/345443329.db2.gz GKBOKDVMUWMEPW-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[C@H](C[NH3+])C1 306567231 345443348 /nfs/dbraw/zinc/44/33/48/345443348.db2.gz ZOINWPSGKUPGMG-VHSXEESVSA-N 2 1 179.267 1.491 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[C@@H](C[NH3+])C1 306567226 345443391 /nfs/dbraw/zinc/44/33/91/345443391.db2.gz ZOINWPSGKUPGMG-NXEZZACHSA-N 2 1 179.267 1.491 10 0 ADAEMP CC[C@@H]1C[C@H](C)C[N@H+]1CC1C[NH2+]C1 306566897 345443645 /nfs/dbraw/zinc/44/36/45/345443645.db2.gz GKBOKDVMUWMEPW-GXSJLCMTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC1C[NH2+]C1 306566899 345443739 /nfs/dbraw/zinc/44/37/39/345443739.db2.gz GKBOKDVMUWMEPW-MWLCHTKSSA-N 2 1 182.311 1.326 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[C@H](C[NH3+])C1 306567229 345443755 /nfs/dbraw/zinc/44/37/55/345443755.db2.gz ZOINWPSGKUPGMG-UWVGGRQHSA-N 2 1 179.267 1.491 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@H+](C)C(C)(C)C 306568479 345445375 /nfs/dbraw/zinc/44/53/75/345445375.db2.gz UVHJGUYXOGZKEQ-ZCFIWIBFSA-N 2 1 157.261 1.041 10 0 ADAEMP C[C@H](C(N)=[NH2+])[N@@H+](C)C(C)(C)C 306568479 345445376 /nfs/dbraw/zinc/44/53/76/345445376.db2.gz UVHJGUYXOGZKEQ-ZCFIWIBFSA-N 2 1 157.261 1.041 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H](C)C[NH3+])CCS1 306568369 345445380 /nfs/dbraw/zinc/44/53/80/345445380.db2.gz URXXRVDFBGFBRV-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@H](C)C[NH3+])CCS1 306568369 345445381 /nfs/dbraw/zinc/44/53/81/345445381.db2.gz URXXRVDFBGFBRV-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H](C)C[NH3+])CCS1 306568441 345445440 /nfs/dbraw/zinc/44/54/40/345445440.db2.gz URXXRVDFBGFBRV-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@H](C)C[NH3+])CCS1 306568441 345445442 /nfs/dbraw/zinc/44/54/42/345445442.db2.gz URXXRVDFBGFBRV-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)C[NH3+])CCS1 306568372 345445574 /nfs/dbraw/zinc/44/55/74/345445574.db2.gz URXXRVDFBGFBRV-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@@H](C)C[NH3+])CCS1 306568372 345445575 /nfs/dbraw/zinc/44/55/75/345445575.db2.gz URXXRVDFBGFBRV-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC(C)C1([N@H+]2CCNC[C@@H](C)C2)CC1 306569876 345446614 /nfs/dbraw/zinc/44/66/14/345446614.db2.gz XNUCLYZFOUJWMJ-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C1(N2CC[NH2+]C[C@@H](C)C2)CC1 306569876 345446617 /nfs/dbraw/zinc/44/66/17/345446617.db2.gz XNUCLYZFOUJWMJ-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C1([N@H+]2CCNC[C@H](C)C2)CC1 306569877 345446627 /nfs/dbraw/zinc/44/66/27/345446627.db2.gz XNUCLYZFOUJWMJ-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)C1(N2CC[NH2+]C[C@H](C)C2)CC1 306569877 345446630 /nfs/dbraw/zinc/44/66/30/345446630.db2.gz XNUCLYZFOUJWMJ-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP Cc1c[nH+]cn1C[C@H]1CC[C@@H]([NH3+])C1 306570191 345446993 /nfs/dbraw/zinc/44/69/93/345446993.db2.gz YCESQCZXRSALLP-VHSXEESVSA-N 2 1 179.267 1.319 10 0 ADAEMP Cc1c[nH+]cn1C[C@H]1CC[C@H]([NH3+])C1 306570190 345447035 /nfs/dbraw/zinc/44/70/35/345447035.db2.gz YCESQCZXRSALLP-UWVGGRQHSA-N 2 1 179.267 1.319 10 0 ADAEMP Cc1c[nH+]cn1C[C@@H]1CC[C@H]([NH3+])C1 306570192 345447147 /nfs/dbraw/zinc/44/71/47/345447147.db2.gz YCESQCZXRSALLP-ZJUUUORDSA-N 2 1 179.267 1.319 10 0 ADAEMP Cc1c[nH+]cn1C[C@@H]1CC[C@@H]([NH3+])C1 306570189 345447179 /nfs/dbraw/zinc/44/71/79/345447179.db2.gz YCESQCZXRSALLP-NXEZZACHSA-N 2 1 179.267 1.319 10 0 ADAEMP CCC1([N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 306570498 345447737 /nfs/dbraw/zinc/44/77/37/345447737.db2.gz YVOULSNBJTUKTM-VHSXEESVSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC1([N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 306570499 345447973 /nfs/dbraw/zinc/44/79/73/345447973.db2.gz YVOULSNBJTUKTM-ZJUUUORDSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC1([N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 306570496 345448002 /nfs/dbraw/zinc/44/80/02/345448002.db2.gz YVOULSNBJTUKTM-NXEZZACHSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC1([N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 306570497 345448087 /nfs/dbraw/zinc/44/80/87/345448087.db2.gz YVOULSNBJTUKTM-UWVGGRQHSA-N 2 1 182.311 1.741 10 0 ADAEMP C1CC[C@@H]([N@@H+]2CCC3(CC3)C2)C[NH2+]C1 306571546 345449062 /nfs/dbraw/zinc/44/90/62/345449062.db2.gz HBCFWIJYVVEXTB-LLVKDONJSA-N 2 1 194.322 1.614 10 0 ADAEMP C1CC[C@@H]([N@H+]2CCC3(CC3)C2)C[NH2+]C1 306571546 345449063 /nfs/dbraw/zinc/44/90/63/345449063.db2.gz HBCFWIJYVVEXTB-LLVKDONJSA-N 2 1 194.322 1.614 10 0 ADAEMP C1CC[C@H]([N@@H+]2CCC3(CC3)C2)C[NH2+]C1 306571549 345449294 /nfs/dbraw/zinc/44/92/94/345449294.db2.gz HBCFWIJYVVEXTB-NSHDSACASA-N 2 1 194.322 1.614 10 0 ADAEMP C1CC[C@H]([N@H+]2CCC3(CC3)C2)C[NH2+]C1 306571549 345449298 /nfs/dbraw/zinc/44/92/98/345449298.db2.gz HBCFWIJYVVEXTB-NSHDSACASA-N 2 1 194.322 1.614 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1CC1=CCCC1 306576604 345453983 /nfs/dbraw/zinc/45/39/83/345453983.db2.gz KNQXQSWTKMBFOQ-GXSJLCMTSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CC1=CCCC1 306576604 345453984 /nfs/dbraw/zinc/45/39/84/345453984.db2.gz KNQXQSWTKMBFOQ-GXSJLCMTSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1=CCCC1 306576606 345454001 /nfs/dbraw/zinc/45/40/01/345454001.db2.gz KNQXQSWTKMBFOQ-MWLCHTKSSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1=CCCC1 306576606 345454003 /nfs/dbraw/zinc/45/40/03/345454003.db2.gz KNQXQSWTKMBFOQ-MWLCHTKSSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CC1=CCCC1 306576607 345454104 /nfs/dbraw/zinc/45/41/04/345454104.db2.gz KNQXQSWTKMBFOQ-ONGXEEELSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1=CCCC1 306576607 345454106 /nfs/dbraw/zinc/45/41/06/345454106.db2.gz KNQXQSWTKMBFOQ-ONGXEEELSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1CC1=CCCC1 306576605 345454179 /nfs/dbraw/zinc/45/41/79/345454179.db2.gz KNQXQSWTKMBFOQ-KOLCDFICSA-N 2 1 180.295 1.518 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC1=CCCC1 306576605 345454182 /nfs/dbraw/zinc/45/41/82/345454182.db2.gz KNQXQSWTKMBFOQ-KOLCDFICSA-N 2 1 180.295 1.518 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)C1 306578167 345455392 /nfs/dbraw/zinc/45/53/92/345455392.db2.gz LWKXPXFHUPQJTE-VLEAKVRGSA-N 2 1 180.295 1.127 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](CC2=CCCC2)C1 306580984 345458236 /nfs/dbraw/zinc/45/82/36/345458236.db2.gz OGYYBBQBPLQHNM-ZYHUDNBSSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](CC2=CCCC2)C1 306580984 345458241 /nfs/dbraw/zinc/45/82/41/345458241.db2.gz OGYYBBQBPLQHNM-ZYHUDNBSSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+](CC2=CCCC2)C1 306580982 345458255 /nfs/dbraw/zinc/45/82/55/345458255.db2.gz OGYYBBQBPLQHNM-JQWIXIFHSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+](CC2=CCCC2)C1 306580983 345458388 /nfs/dbraw/zinc/45/83/88/345458388.db2.gz OGYYBBQBPLQHNM-PWSUYJOCSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](CC2=CCCC2)C1 306580983 345458390 /nfs/dbraw/zinc/45/83/90/345458390.db2.gz OGYYBBQBPLQHNM-PWSUYJOCSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+](CC2=CCCC2)C1 306580981 345458472 /nfs/dbraw/zinc/45/84/72/345458472.db2.gz OGYYBBQBPLQHNM-CMPLNLGQSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](CC2=CCCC2)C1 306580981 345458475 /nfs/dbraw/zinc/45/84/75/345458475.db2.gz OGYYBBQBPLQHNM-CMPLNLGQSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@@H](C1CC[NH2+]CC1)[N@H+]1CC[C@@H](C)C1 306582910 345459787 /nfs/dbraw/zinc/45/97/87/345459787.db2.gz QOGJFDYKSCAPON-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H](C)C2CC[NH2+]CC2)C1 306582912 345459857 /nfs/dbraw/zinc/45/98/57/345459857.db2.gz QOGJFDYKSCAPON-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]2C1 306582533 345459859 /nfs/dbraw/zinc/45/98/59/345459859.db2.gz DLVMVUOMDMOZBI-SRVKXCTJSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1 306582531 345459881 /nfs/dbraw/zinc/45/98/81/345459881.db2.gz DLVMVUOMDMOZBI-QJPTWQEYSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 306582534 345459915 /nfs/dbraw/zinc/45/99/15/345459915.db2.gz DLVMVUOMDMOZBI-TUAOUCFPSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H](C)C2CC[NH2+]CC2)C1 306582909 345460065 /nfs/dbraw/zinc/46/00/65/345460065.db2.gz QOGJFDYKSCAPON-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)C2CC[NH2+]CC2)C1 306582911 345460040 /nfs/dbraw/zinc/46/00/40/345460040.db2.gz QOGJFDYKSCAPON-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 306583494 345460336 /nfs/dbraw/zinc/46/03/36/345460336.db2.gz RBCYGEKSPZXHTD-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 306583494 345460337 /nfs/dbraw/zinc/46/03/37/345460337.db2.gz RBCYGEKSPZXHTD-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1(C)C[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 306583493 345460508 /nfs/dbraw/zinc/46/05/08/345460508.db2.gz RBCYGEKSPZXHTD-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 306583490 345460609 /nfs/dbraw/zinc/46/06/09/345460609.db2.gz RBCYGEKSPZXHTD-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@H+]1CC[C@H]([NH3+])C1 306583490 345460610 /nfs/dbraw/zinc/46/06/10/345460610.db2.gz RBCYGEKSPZXHTD-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1(C)C[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 306583492 345460629 /nfs/dbraw/zinc/46/06/29/345460629.db2.gz RBCYGEKSPZXHTD-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C1=C(C[N@@H+]2CCC[NH2+]CC2)CCCC1 306584087 345461018 /nfs/dbraw/zinc/46/10/18/345461018.db2.gz GEVXLRHUEUMOBF-UHFFFAOYSA-N 2 1 194.322 1.782 10 0 ADAEMP C1=C(C[N@H+]2CCC[NH2+]CC2)CCCC1 306584087 345461021 /nfs/dbraw/zinc/46/10/21/345461021.db2.gz GEVXLRHUEUMOBF-UHFFFAOYSA-N 2 1 194.322 1.782 10 0 ADAEMP CC(C)[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306584912 345461953 /nfs/dbraw/zinc/46/19/53/345461953.db2.gz GWGAEGGRTSISIP-SDDRHHMPSA-N 2 1 196.338 1.430 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 306584915 345462194 /nfs/dbraw/zinc/46/21/94/345462194.db2.gz GWGAEGGRTSISIP-UTUOFQBUSA-N 2 1 196.338 1.430 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 306586745 345463882 /nfs/dbraw/zinc/46/38/82/345463882.db2.gz LHIUGQWVHUXJDT-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 306586744 345463919 /nfs/dbraw/zinc/46/39/19/345463919.db2.gz LHIUGQWVHUXJDT-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 306586743 345463958 /nfs/dbraw/zinc/46/39/58/345463958.db2.gz LHIUGQWVHUXJDT-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 306586742 345464004 /nfs/dbraw/zinc/46/40/04/345464004.db2.gz LHIUGQWVHUXJDT-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH+](C)C1(CN2CCCCC2=[NH2+])CC1 306586955 345464082 /nfs/dbraw/zinc/46/40/82/345464082.db2.gz RTGHWYILTMGQHJ-UHFFFAOYSA-N 2 1 195.310 1.544 10 0 ADAEMP [NH3+][C@@H]1CCC[N@H+](CC2=CCCC2)C1 306587699 345464740 /nfs/dbraw/zinc/46/47/40/345464740.db2.gz SNGVUWYRTASDKJ-LLVKDONJSA-N 2 1 180.295 1.520 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](CC2=CCCC2)C1 306587699 345464742 /nfs/dbraw/zinc/46/47/42/345464742.db2.gz SNGVUWYRTASDKJ-LLVKDONJSA-N 2 1 180.295 1.520 10 0 ADAEMP CC[N@H+]1CCCN(C(=[NH2+])C(C)C)CC1 306587966 345465069 /nfs/dbraw/zinc/46/50/69/345465069.db2.gz NBBPRSOFVDLSGE-UHFFFAOYSA-N 2 1 197.326 1.647 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H](N)CC[C@H]1C 306589366 345466207 /nfs/dbraw/zinc/46/62/07/345466207.db2.gz UHBOVIHVDMLUFE-AXFHLTTASA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)N1C[C@@H]([NH3+])CC[C@H]1C 306589366 345466209 /nfs/dbraw/zinc/46/62/09/345466209.db2.gz UHBOVIHVDMLUFE-AXFHLTTASA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@@H](N)CC[C@@H]1C 306589367 345466290 /nfs/dbraw/zinc/46/62/90/345466290.db2.gz UHBOVIHVDMLUFE-DCAQKATOSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)N1C[C@@H]([NH3+])CC[C@@H]1C 306589367 345466292 /nfs/dbraw/zinc/46/62/92/345466292.db2.gz UHBOVIHVDMLUFE-DCAQKATOSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@H](N)CC[C@@H]1C 306589368 345466436 /nfs/dbraw/zinc/46/64/36/345466436.db2.gz UHBOVIHVDMLUFE-GARJFASQSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)N1C[C@H]([NH3+])CC[C@@H]1C 306589368 345466438 /nfs/dbraw/zinc/46/64/38/345466438.db2.gz UHBOVIHVDMLUFE-GARJFASQSA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)[N@H+]1C[C@H](N)CC[C@H]1C 306589369 345466472 /nfs/dbraw/zinc/46/64/72/345466472.db2.gz UHBOVIHVDMLUFE-HBNTYKKESA-N 2 1 184.327 1.987 10 0 ADAEMP CCC[C@H](C)N1C[C@H]([NH3+])CC[C@H]1C 306589369 345466474 /nfs/dbraw/zinc/46/64/74/345466474.db2.gz UHBOVIHVDMLUFE-HBNTYKKESA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H]([C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 306590125 345467546 /nfs/dbraw/zinc/46/75/46/345467546.db2.gz XQOUUFYSKKKUTC-IUCAKERBSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 306590123 345467630 /nfs/dbraw/zinc/46/76/30/345467630.db2.gz XQOUUFYSKKKUTC-BDAKNGLRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306590024 345467653 /nfs/dbraw/zinc/46/76/53/345467653.db2.gz PCCGBABPXXCHRH-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]([C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 306590124 345467710 /nfs/dbraw/zinc/46/77/10/345467710.db2.gz XQOUUFYSKKKUTC-DTWKUNHWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 306590126 345467745 /nfs/dbraw/zinc/46/77/45/345467745.db2.gz XQOUUFYSKKKUTC-RKDXNWHRSA-N 2 1 168.284 1.079 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306591877 345469174 /nfs/dbraw/zinc/46/91/74/345469174.db2.gz VYQCTSRAEQZZMP-MMWGEVLESA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]([C@H]2C[C@@H]3C[C@@H]3C2)C1 306591874 345469295 /nfs/dbraw/zinc/46/92/95/345469295.db2.gz VYQCTSRAEQZZMP-CHWFTXMASA-N 2 1 180.295 1.066 10 0 ADAEMP CC(C)(C[NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 306595354 345472062 /nfs/dbraw/zinc/47/20/62/345472062.db2.gz KRDPVHOCYARLCE-AOOOYVTPSA-N 2 1 196.338 1.559 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)Nc1cc[nH+]cc1Cl 306598631 345475074 /nfs/dbraw/zinc/47/50/74/345475074.db2.gz QBVIROMRLXBOGA-NKWVEPMBSA-N 2 1 199.685 1.883 10 0 ADAEMP C[C@H](Nc1cc[nH+]cc1Cl)[C@@H](C)[NH3+] 306598633 345475121 /nfs/dbraw/zinc/47/51/21/345475121.db2.gz QBVIROMRLXBOGA-RQJHMYQMSA-N 2 1 199.685 1.883 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)Nc1cc[nH+]cc1Cl 306598632 345475272 /nfs/dbraw/zinc/47/52/72/345475272.db2.gz QBVIROMRLXBOGA-RNFRBKRXSA-N 2 1 199.685 1.883 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)Nc1cc[nH+]cc1Cl 306598630 345475376 /nfs/dbraw/zinc/47/53/76/345475376.db2.gz QBVIROMRLXBOGA-BQBZGAKWSA-N 2 1 199.685 1.883 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])C[N@H+]1C[C@H]2C[C@H]2C1 306602241 345477898 /nfs/dbraw/zinc/47/78/98/345477898.db2.gz VORRAZIDZWETSW-AEJSXWLSSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])C[N@@H+]1C[C@H]2C[C@H]2C1 306602241 345477900 /nfs/dbraw/zinc/47/79/00/345477900.db2.gz VORRAZIDZWETSW-AEJSXWLSSA-N 2 1 182.311 1.312 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCCN[C@@H]1C 306602646 345478343 /nfs/dbraw/zinc/47/83/43/345478343.db2.gz CVKTUKMBGULJBL-WISYIIOYSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H]1[C@H](C)CCN1[C@@H]1CCC[NH2+][C@@H]1C 306602646 345478346 /nfs/dbraw/zinc/47/83/46/345478346.db2.gz CVKTUKMBGULJBL-WISYIIOYSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1NCCC[C@H]1[N@H+]1CC[C@@H](C)[C@H]1C 306602647 345478379 /nfs/dbraw/zinc/47/83/79/345478379.db2.gz CVKTUKMBGULJBL-WRWGMCAJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1N1CC[C@@H](C)[C@H]1C 306602647 345478384 /nfs/dbraw/zinc/47/83/84/345478384.db2.gz CVKTUKMBGULJBL-WRWGMCAJSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1NCCC[C@H]1[N@H+]1CC[C@@H](C)[C@@H]1C 306602645 345478538 /nfs/dbraw/zinc/47/85/38/345478538.db2.gz CVKTUKMBGULJBL-NOOOWODRSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1N1CC[C@@H](C)[C@@H]1C 306602645 345478541 /nfs/dbraw/zinc/47/85/41/345478541.db2.gz CVKTUKMBGULJBL-NOOOWODRSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCCN[C@@H]2C)[C@@H]1C 306602644 345478815 /nfs/dbraw/zinc/47/88/15/345478815.db2.gz CVKTUKMBGULJBL-DDHJBXDOSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1CCN([C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 306602644 345478819 /nfs/dbraw/zinc/47/88/19/345478819.db2.gz CVKTUKMBGULJBL-DDHJBXDOSA-N 2 1 196.338 1.857 10 0 ADAEMP CC1CC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 306603428 345479023 /nfs/dbraw/zinc/47/90/23/345479023.db2.gz MPZBPVDHQKIEQU-QONHTCSSSA-N 2 1 180.295 1.079 10 0 ADAEMP CC1CC([N@H+]2CCCC[C@H](C[NH3+])C2)C1 306611444 345485611 /nfs/dbraw/zinc/48/56/11/345485611.db2.gz GFMUXTQJHCBHRT-MOENNCHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@H+]1CC[C@H]([NH2+]C2CC2)[C@H]2CCC[C@H]21 306615065 345488112 /nfs/dbraw/zinc/48/81/12/345488112.db2.gz MQMRPFWMCMXLNC-GRYCIOLGSA-N 2 1 194.322 1.611 10 0 ADAEMP C[N@H+]1CC[C@H]([NH2+]C2CC2)[C@@H]2CCC[C@H]21 306615067 345488182 /nfs/dbraw/zinc/48/81/82/345488182.db2.gz MQMRPFWMCMXLNC-SDDRHHMPSA-N 2 1 194.322 1.611 10 0 ADAEMP C[N@H+]1CC[C@H]([NH2+]C2CC2)[C@H]2CCC[C@@H]21 306615070 345488722 /nfs/dbraw/zinc/48/87/22/345488722.db2.gz MQMRPFWMCMXLNC-WOPDTQHZSA-N 2 1 194.322 1.611 10 0 ADAEMP C[N@H+]1CC[C@H]([NH2+]C2CC2)[C@@H]2CCC[C@@H]21 306615069 345488783 /nfs/dbraw/zinc/48/87/83/345488783.db2.gz MQMRPFWMCMXLNC-SRVKXCTJSA-N 2 1 194.322 1.611 10 0 ADAEMP CC1(C2([N@@H+]3CC[C@H]([NH3+])C3)CC2)CC1 306616930 345490674 /nfs/dbraw/zinc/49/06/74/345490674.db2.gz QNDGQFBYEQAYTB-VIFPVBQESA-N 2 1 180.295 1.352 10 0 ADAEMP CC1(C2([N@H+]3CC[C@H]([NH3+])C3)CC2)CC1 306616930 345490677 /nfs/dbraw/zinc/49/06/77/345490677.db2.gz QNDGQFBYEQAYTB-VIFPVBQESA-N 2 1 180.295 1.352 10 0 ADAEMP CC1(C2([N@@H+]3CC[C@@H]([NH3+])C3)CC2)CC1 306616929 345490782 /nfs/dbraw/zinc/49/07/82/345490782.db2.gz QNDGQFBYEQAYTB-SECBINFHSA-N 2 1 180.295 1.352 10 0 ADAEMP CC1(C2([N@H+]3CC[C@@H]([NH3+])C3)CC2)CC1 306616929 345490784 /nfs/dbraw/zinc/49/07/84/345490784.db2.gz QNDGQFBYEQAYTB-SECBINFHSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@@H]([NH3+])[C@](C)(F)Cc1cc[nH+]c(N)c1 306618498 345491642 /nfs/dbraw/zinc/49/16/42/345491642.db2.gz SSDROHAWDUWQOA-GMSGAONNSA-N 2 1 197.257 1.282 10 0 ADAEMP C[C@H]([NH3+])[C@@](C)(F)Cc1cc[nH+]c(N)c1 306618501 345491753 /nfs/dbraw/zinc/49/17/53/345491753.db2.gz SSDROHAWDUWQOA-XVKPBYJWSA-N 2 1 197.257 1.282 10 0 ADAEMP C[C@H]([NH3+])[C@](C)(F)Cc1cc[nH+]c(N)c1 306618499 345491762 /nfs/dbraw/zinc/49/17/62/345491762.db2.gz SSDROHAWDUWQOA-OIBJUYFYSA-N 2 1 197.257 1.282 10 0 ADAEMP C[C@@H]([NH3+])[C@@](C)(F)Cc1cc[nH+]c(N)c1 306618500 345491770 /nfs/dbraw/zinc/49/17/70/345491770.db2.gz SSDROHAWDUWQOA-XCBNKYQSSA-N 2 1 197.257 1.282 10 0 ADAEMP CC1C[NH+](CC2([NH3+])CCCCC2)C1 306624078 345495920 /nfs/dbraw/zinc/49/59/20/345495920.db2.gz FFXXSZNZPHSXQK-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](N)C1 306624864 345496278 /nfs/dbraw/zinc/49/62/78/345496278.db2.gz FZMSADLAGMZUKX-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 306624864 345496281 /nfs/dbraw/zinc/49/62/81/345496281.db2.gz FZMSADLAGMZUKX-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](N)C1 306624862 345496332 /nfs/dbraw/zinc/49/63/32/345496332.db2.gz FZMSADLAGMZUKX-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 306624862 345496337 /nfs/dbraw/zinc/49/63/37/345496337.db2.gz FZMSADLAGMZUKX-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CCNC(=[NH2+])Cn1c[nH+]c(C)c1C 306626670 345498356 /nfs/dbraw/zinc/49/83/56/345498356.db2.gz HYGRJFSAKCOVFE-UHFFFAOYSA-N 2 1 180.255 1.087 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC1(C)C 306627968 345499170 /nfs/dbraw/zinc/49/91/70/345499170.db2.gz ZVUVRVLAFYBUJB-GUBZILKMSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC1(C)C 306627969 345499270 /nfs/dbraw/zinc/49/92/70/345499270.db2.gz ZVUVRVLAFYBUJB-IVZWLZJFSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C2CC=CC2)C[NH2+]1 306628243 345499277 /nfs/dbraw/zinc/49/92/77/345499277.db2.gz BOVQVJQPNPZBCX-GXSJLCMTSA-N 2 1 180.295 1.435 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC1(C)C 306627967 345499289 /nfs/dbraw/zinc/49/92/89/345499289.db2.gz ZVUVRVLAFYBUJB-AEJSXWLSSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)C[NH2+]1 306628247 345499319 /nfs/dbraw/zinc/49/93/19/345499319.db2.gz BOVQVJQPNPZBCX-MWLCHTKSSA-N 2 1 180.295 1.435 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC1(C)C 306627970 345499336 /nfs/dbraw/zinc/49/93/36/345499336.db2.gz ZVUVRVLAFYBUJB-LPEHRKFASA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C2CC=CC2)C[NH2+]1 306628249 345499351 /nfs/dbraw/zinc/49/93/51/345499351.db2.gz BOVQVJQPNPZBCX-ONGXEEELSA-N 2 1 180.295 1.435 10 0 ADAEMP CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 306630265 345500846 /nfs/dbraw/zinc/50/08/46/345500846.db2.gz CQQKPCBKGORITD-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@@H+]1C[C@H]2C[C@H]([NH3+])CC[C@H]2C1 306630267 345500889 /nfs/dbraw/zinc/50/08/89/345500889.db2.gz CQQKPCBKGORITD-HBNTYKKESA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@@H+]1C[C@H]2C[C@@H]([NH3+])CC[C@H]2C1 306630262 345500896 /nfs/dbraw/zinc/50/08/96/345500896.db2.gz CQQKPCBKGORITD-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 306630264 345501022 /nfs/dbraw/zinc/50/10/22/345501022.db2.gz CQQKPCBKGORITD-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1C[C@H]1C 306633648 345502536 /nfs/dbraw/zinc/50/25/36/345502536.db2.gz SFYGALGMGCWJHX-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[N@H+]1CCC[C@H]2C[NH2+]CCC[C@H]21 306633498 345502437 /nfs/dbraw/zinc/50/24/37/345502437.db2.gz ROEYAZXMEZPJSC-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CC[C@]2(CCC[C@H]2[NH3+])C1 306634020 345502460 /nfs/dbraw/zinc/50/24/60/345502460.db2.gz UHLOTZOPSUNKNC-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@H+]1CCC[C@H]2C[NH2+]CCC[C@@H]21 306633497 345502482 /nfs/dbraw/zinc/50/24/82/345502482.db2.gz ROEYAZXMEZPJSC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CC[C@@]2(CCC[C@H]2[NH3+])C1 306634021 345502519 /nfs/dbraw/zinc/50/25/19/345502519.db2.gz UHLOTZOPSUNKNC-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C 306633649 345502543 /nfs/dbraw/zinc/50/25/43/345502543.db2.gz SFYGALGMGCWJHX-VPOLOUISSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1C 306633649 345502544 /nfs/dbraw/zinc/50/25/44/345502544.db2.gz SFYGALGMGCWJHX-VPOLOUISSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[N@H+]1CCC[C@@H]2C[NH2+]CCC[C@@H]21 306633496 345502560 /nfs/dbraw/zinc/50/25/60/345502560.db2.gz ROEYAZXMEZPJSC-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CC[C@@]2(CCC[C@@H]2[NH3+])C1 306634022 345502612 /nfs/dbraw/zinc/50/26/12/345502612.db2.gz UHLOTZOPSUNKNC-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@H+]1CCC[C@@H]2C[NH2+]CCC[C@H]21 306633495 345502656 /nfs/dbraw/zinc/50/26/56/345502656.db2.gz ROEYAZXMEZPJSC-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CC[C@]2(CCC[C@@H]2[NH3+])C1 306634023 345502665 /nfs/dbraw/zinc/50/26/65/345502665.db2.gz UHLOTZOPSUNKNC-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP CC1=C(C)C[N@H+](C[C@H](C)[NH3+])CC1 306637118 345505639 /nfs/dbraw/zinc/50/56/39/345505639.db2.gz BIMJGFQWYTUJAU-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=C(C)C[N@@H+](C[C@H](C)[NH3+])CC1 306637118 345505641 /nfs/dbraw/zinc/50/56/41/345505641.db2.gz BIMJGFQWYTUJAU-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=C(C)C[N@H+](C[C@@H](C)[NH3+])CC1 306637119 345505670 /nfs/dbraw/zinc/50/56/70/345505670.db2.gz BIMJGFQWYTUJAU-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=C(C)C[N@@H+](C[C@@H](C)[NH3+])CC1 306637119 345505671 /nfs/dbraw/zinc/50/56/71/345505671.db2.gz BIMJGFQWYTUJAU-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](C2CC(C)(C)C2)C1 306637919 345505856 /nfs/dbraw/zinc/50/58/56/345505856.db2.gz BWUURURMWXUNSD-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C2CC(C)(C)C2)C1 306637919 345505857 /nfs/dbraw/zinc/50/58/57/345505857.db2.gz BWUURURMWXUNSD-SNVBAGLBSA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[N@@H+](C2CC(C)(C)C2)C1 306637918 345506029 /nfs/dbraw/zinc/50/60/29/345506029.db2.gz BWUURURMWXUNSD-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP C[NH2+][C@H]1CCC[N@H+](C2CC(C)(C)C2)C1 306637918 345506030 /nfs/dbraw/zinc/50/60/30/345506030.db2.gz BWUURURMWXUNSD-JTQLQIEISA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)=CC[N@H+]1CC[NH2+]C[C@H](C)C1 306638931 345507440 /nfs/dbraw/zinc/50/74/40/345507440.db2.gz NOZRPIPQUNUOMS-NSHDSACASA-N 2 1 182.311 1.494 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[NH2+]C[C@H](C)C1 306638931 345507443 /nfs/dbraw/zinc/50/74/43/345507443.db2.gz NOZRPIPQUNUOMS-NSHDSACASA-N 2 1 182.311 1.494 10 0 ADAEMP CC(C)=CC[N@H+]1CC[NH2+]C[C@@H](C)C1 306638930 345507473 /nfs/dbraw/zinc/50/74/73/345507473.db2.gz NOZRPIPQUNUOMS-LLVKDONJSA-N 2 1 182.311 1.494 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[NH2+]C[C@@H](C)C1 306638930 345507477 /nfs/dbraw/zinc/50/74/77/345507477.db2.gz NOZRPIPQUNUOMS-LLVKDONJSA-N 2 1 182.311 1.494 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])CC(C)(C)C1 306648084 345516029 /nfs/dbraw/zinc/51/60/29/345516029.db2.gz BFWJVOOLNZZJSU-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+](C)C2CC([NH3+])C2)C1 306647910 345516052 /nfs/dbraw/zinc/51/60/52/345516052.db2.gz DJTITNWBNOQCBY-VKAADOFISA-N 2 1 182.311 1.597 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])CC(C)(C)C1 306648086 345516082 /nfs/dbraw/zinc/51/60/82/345516082.db2.gz BFWJVOOLNZZJSU-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC([NH3+])C2)C1 306647903 345516089 /nfs/dbraw/zinc/51/60/89/345516089.db2.gz DJTITNWBNOQCBY-BZCXBAJXSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)C(N)=[NH2+])C(C)(C)C1 306647832 345516152 /nfs/dbraw/zinc/51/61/52/345516152.db2.gz DIHIOONNJQMQGL-JGVFFNPUSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@H](C)CC1(C)C 306647834 345516170 /nfs/dbraw/zinc/51/61/70/345516170.db2.gz DIHIOONNJQMQGL-SFYZADRCSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H]1CC[C@H]([N@@H+](C)C2CC([NH3+])C2)C1 306647914 345516192 /nfs/dbraw/zinc/51/61/92/345516192.db2.gz DJTITNWBNOQCBY-XEAZBWPWSA-N 2 1 182.311 1.597 10 0 ADAEMP C1C[C@@H](C[N@H+]2CCC3(CC3)C2)C[NH2+]1 306649564 345516939 /nfs/dbraw/zinc/51/69/39/345516939.db2.gz BOUNURISTHUKRA-SNVBAGLBSA-N 2 1 180.295 1.082 10 0 ADAEMP C1C[C@H](C[N@H+]2CCC3(CC3)C2)C[NH2+]1 306649563 345517004 /nfs/dbraw/zinc/51/70/04/345517004.db2.gz BOUNURISTHUKRA-JTQLQIEISA-N 2 1 180.295 1.082 10 0 ADAEMP CC1([C@H]([NH3+])C[NH3+])CCCCCC1 306657452 345523063 /nfs/dbraw/zinc/52/30/63/345523063.db2.gz MVHVHCCDNIGICH-SECBINFHSA-N 2 1 170.300 1.633 10 0 ADAEMP CC1([C@@H]([NH3+])C[NH3+])CCCCCC1 306657456 345523496 /nfs/dbraw/zinc/52/34/96/345523496.db2.gz MVHVHCCDNIGICH-VIFPVBQESA-N 2 1 170.300 1.633 10 0 ADAEMP CC[C@@H]1[C@H](C[NH3+])CC[N@H+]1CC 306659203 345524385 /nfs/dbraw/zinc/52/43/85/345524385.db2.gz LEOUFHYMFZPAPV-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 306659027 345524392 /nfs/dbraw/zinc/52/43/92/345524392.db2.gz JFZVYHXXOGUCEJ-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H]1[C@H](C[NH3+])CC[N@H+]1CC 306659204 345524484 /nfs/dbraw/zinc/52/44/84/345524484.db2.gz LEOUFHYMFZPAPV-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 306659026 345524587 /nfs/dbraw/zinc/52/45/87/345524587.db2.gz JFZVYHXXOGUCEJ-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H]1[C@@H](C[NH3+])CC[N@H+]1CC 306659202 345524795 /nfs/dbraw/zinc/52/47/95/345524795.db2.gz LEOUFHYMFZPAPV-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1[C@@H](C[NH3+])CC[N@H+]1CC 306659205 345524829 /nfs/dbraw/zinc/52/48/29/345524829.db2.gz LEOUFHYMFZPAPV-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[C@@H]1N1CCC[C@@H]([NH3+])[C@H]1C 306661025 345525719 /nfs/dbraw/zinc/52/57/19/345525719.db2.gz NPFZJQDDVVAPJY-DBIOUOCHSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H](N)[C@H]1C 306661025 345525717 /nfs/dbraw/zinc/52/57/17/345525717.db2.gz NPFZJQDDVVAPJY-DBIOUOCHSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H](N)[C@H]1C 306661028 345525747 /nfs/dbraw/zinc/52/57/47/345525747.db2.gz NPFZJQDDVVAPJY-ZNSHCXBVSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[C@@H]1N1CCC[C@H]([NH3+])[C@H]1C 306661028 345525749 /nfs/dbraw/zinc/52/57/49/345525749.db2.gz NPFZJQDDVVAPJY-ZNSHCXBVSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H](N)CCC[N@@H+]1[C@H]1CC[C@H]1C 306661027 345525776 /nfs/dbraw/zinc/52/57/76/345525776.db2.gz NPFZJQDDVVAPJY-YTWAJWBKSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CCCN1[C@H]1CC[C@H]1C 306661027 345525777 /nfs/dbraw/zinc/52/57/77/345525777.db2.gz NPFZJQDDVVAPJY-YTWAJWBKSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@@H](N)CCC[N@@H+]1[C@H]1CC[C@H]1C 306661026 345525886 /nfs/dbraw/zinc/52/58/86/345525886.db2.gz NPFZJQDDVVAPJY-RCWTZXSCSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CCCN1[C@H]1CC[C@H]1C 306661026 345525890 /nfs/dbraw/zinc/52/58/90/345525890.db2.gz NPFZJQDDVVAPJY-RCWTZXSCSA-N 2 1 182.311 1.597 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C 306661245 345525984 /nfs/dbraw/zinc/52/59/84/345525984.db2.gz NXIFFHIZJOMVCA-HIHHVFROSA-N 2 1 168.284 1.374 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C 306661245 345525986 /nfs/dbraw/zinc/52/59/86/345525986.db2.gz NXIFFHIZJOMVCA-HIHHVFROSA-N 2 1 168.284 1.374 10 0 ADAEMP CC1(C)CC[N@@H+]1[C@@H]1CCC[NH2+]C1 306662283 345526342 /nfs/dbraw/zinc/52/63/42/345526342.db2.gz PLHHYMQUAFNBDC-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[NH2+]C1 306662283 345526343 /nfs/dbraw/zinc/52/63/43/345526343.db2.gz PLHHYMQUAFNBDC-SECBINFHSA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 306662516 345526349 /nfs/dbraw/zinc/52/63/49/345526349.db2.gz PUBBWVQBIHZOQU-KKOKHZNYSA-N 2 1 196.338 1.844 10 0 ADAEMP CC1(C)CC[N@@H+]1[C@H]1CCC[NH2+]C1 306662284 345526378 /nfs/dbraw/zinc/52/63/78/345526378.db2.gz PLHHYMQUAFNBDC-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[NH2+]C1 306662284 345526381 /nfs/dbraw/zinc/52/63/81/345526381.db2.gz PLHHYMQUAFNBDC-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1[C@H]1CC[C@H]1C 306662518 345526986 /nfs/dbraw/zinc/52/69/86/345526986.db2.gz PUBBWVQBIHZOQU-RHYQMDGZSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1[C@H]1CC[C@H]1C 306662517 345527171 /nfs/dbraw/zinc/52/71/71/345527171.db2.gz PUBBWVQBIHZOQU-KXNHARMFSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 306662519 345527268 /nfs/dbraw/zinc/52/72/68/345527268.db2.gz PUBBWVQBIHZOQU-WYUUTHIRSA-N 2 1 196.338 1.844 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306665179 345528730 /nfs/dbraw/zinc/52/87/30/345528730.db2.gz SWUBKEVXZISVKK-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC23CCCC3)C1 306665179 345528736 /nfs/dbraw/zinc/52/87/36/345528736.db2.gz SWUBKEVXZISVKK-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@H]2CC23CCCC3)C1 306665182 345528776 /nfs/dbraw/zinc/52/87/76/345528776.db2.gz SWUBKEVXZISVKK-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@H]2CC23CCCC3)C1 306665182 345528779 /nfs/dbraw/zinc/52/87/79/345528779.db2.gz SWUBKEVXZISVKK-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+]([C@@H]2CC23CCCC3)C1 306665181 345529047 /nfs/dbraw/zinc/52/90/47/345529047.db2.gz SWUBKEVXZISVKK-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CC[N@H+]([C@@H]2CC23CCCC3)C1 306665181 345529051 /nfs/dbraw/zinc/52/90/51/345529051.db2.gz SWUBKEVXZISVKK-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+]([C@H]2CC23CCCC3)C1 306665180 345529111 /nfs/dbraw/zinc/52/91/11/345529111.db2.gz SWUBKEVXZISVKK-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CC[N@H+]([C@H]2CC23CCCC3)C1 306665180 345529114 /nfs/dbraw/zinc/52/91/14/345529114.db2.gz SWUBKEVXZISVKK-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]1CCCC[C@]1(C)[NH2+]CC[NH3+] 306667012 345529516 /nfs/dbraw/zinc/52/95/16/345529516.db2.gz JKZFTBIHTFXYKE-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@@H]1CCCC[C@@]1(C)[NH2+]CC[NH3+] 306667007 345529606 /nfs/dbraw/zinc/52/96/06/345529606.db2.gz JKZFTBIHTFXYKE-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@H]1CCCC[C@@]1(C)[NH2+]CC[NH3+] 306667016 345530001 /nfs/dbraw/zinc/53/00/01/345530001.db2.gz JKZFTBIHTFXYKE-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP C[C@@H]1CCCC[C@]1(C)[NH2+]CC[NH3+] 306667020 345530252 /nfs/dbraw/zinc/53/02/52/345530252.db2.gz JKZFTBIHTFXYKE-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)=CC[NH+]1CC2=C(C[NH2+]C2)C1 306668704 345531449 /nfs/dbraw/zinc/53/14/49/345531449.db2.gz WNEHODMDNYNPKH-UHFFFAOYSA-N 2 1 178.279 1.168 10 0 ADAEMP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C(C)(C)C 306670019 345531786 /nfs/dbraw/zinc/53/17/86/345531786.db2.gz GZXDTXDJFRNWSS-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C[C@H]1CC[C@H]([NH3+])C1)C(C)(C)C 306670007 345531842 /nfs/dbraw/zinc/53/18/42/345531842.db2.gz GZXDTXDJFRNWSS-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C[C@@H]1CC[C@@H]([NH3+])C1)C(C)(C)C 306670001 345531867 /nfs/dbraw/zinc/53/18/67/345531867.db2.gz GZXDTXDJFRNWSS-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C(C)(C)C 306670013 345531874 /nfs/dbraw/zinc/53/18/74/345531874.db2.gz GZXDTXDJFRNWSS-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 306670235 345532369 /nfs/dbraw/zinc/53/23/69/345532369.db2.gz XMJMYAOHVCYYHV-CHWFTXMASA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1C 306670237 345532538 /nfs/dbraw/zinc/53/25/38/345532538.db2.gz XMJMYAOHVCYYHV-GWOFURMSSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 306670239 345532584 /nfs/dbraw/zinc/53/25/84/345532584.db2.gz XMJMYAOHVCYYHV-LMLFDSFASA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 306670241 345532608 /nfs/dbraw/zinc/53/26/08/345532608.db2.gz XMJMYAOHVCYYHV-VPOLOUISSA-N 2 1 182.311 1.597 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C1 306671335 345533276 /nfs/dbraw/zinc/53/32/76/345533276.db2.gz YPFOSFLZUKBBLT-YTWAJWBKSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CCCC[C@H]2C1 306672626 345534318 /nfs/dbraw/zinc/53/43/18/345534318.db2.gz MGVOCUFAEITYRT-PHIMTYICSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@H+](CCF)C1 306674101 345535385 /nfs/dbraw/zinc/53/53/85/345535385.db2.gz PKTKUFPJKFZFNB-AOOOYVTPSA-N 2 1 188.290 1.133 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C)C[N@@H+](CCF)C1 306674101 345535387 /nfs/dbraw/zinc/53/53/87/345535387.db2.gz PKTKUFPJKFZFNB-AOOOYVTPSA-N 2 1 188.290 1.133 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](CCF)C1 306674102 345535794 /nfs/dbraw/zinc/53/57/94/345535794.db2.gz PKTKUFPJKFZFNB-NXEZZACHSA-N 2 1 188.290 1.133 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H](C)C[NH+](CCF)C1 306674103 345535814 /nfs/dbraw/zinc/53/58/14/345535814.db2.gz PKTKUFPJKFZFNB-UWVGGRQHSA-N 2 1 188.290 1.133 10 0 ADAEMP C[NH2+]CC[N@H+]1C[C@H]2CCCC[C@H]2C1 306675944 345538294 /nfs/dbraw/zinc/53/82/94/345538294.db2.gz UVLLNRTWGDFPMT-PHIMTYICSA-N 2 1 182.311 1.328 10 0 ADAEMP [NH3+][C@H]1CCC[C@@]12CC[N@@H+](CC1CC1)C2 306677129 345538994 /nfs/dbraw/zinc/53/89/94/345538994.db2.gz YGUQQTUYSAUEEV-RYUDHWBXSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+][C@H]1CCC[C@]12CC[N@@H+](CC1CC1)C2 306677128 345539235 /nfs/dbraw/zinc/53/92/35/345539235.db2.gz YGUQQTUYSAUEEV-NWDGAFQWSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+][C@@H]1CCC[C@]12CC[N@@H+](CC1CC1)C2 306677130 345539283 /nfs/dbraw/zinc/53/92/83/345539283.db2.gz YGUQQTUYSAUEEV-VXGBXAGGSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@]12CC[N@@H+](CC1CC1)C2 306677127 345539354 /nfs/dbraw/zinc/53/93/54/345539354.db2.gz YGUQQTUYSAUEEV-NEPJUHHUSA-N 2 1 194.322 1.600 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306677361 345539581 /nfs/dbraw/zinc/53/95/81/345539581.db2.gz YPRVKRLBUSNNTJ-TXEJJXNPSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C(C)(C)C 306679939 345541438 /nfs/dbraw/zinc/54/14/38/345541438.db2.gz JGACQTRULDSFTL-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H](C[N@@H+](C)C(C)(C)C)C1 306679602 345541607 /nfs/dbraw/zinc/54/16/07/345541607.db2.gz IRYBGLWIUFOGOG-QWRGUYRKSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+](C)C(C)(C)C 306679940 345541620 /nfs/dbraw/zinc/54/16/20/345541620.db2.gz JGACQTRULDSFTL-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+](C)C(C)(C)C 306679942 345541632 /nfs/dbraw/zinc/54/16/32/345541632.db2.gz JGACQTRULDSFTL-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H](C[N@@H+](C)C(C)(C)C)C1 306679603 345541702 /nfs/dbraw/zinc/54/17/02/345541702.db2.gz IRYBGLWIUFOGOG-WDEREUQCSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H](C[N@@H+](C)C(C)(C)C)C1 306679600 345541766 /nfs/dbraw/zinc/54/17/66/345541766.db2.gz IRYBGLWIUFOGOG-GHMZBOCLSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+](C)C(C)(C)C 306679941 345541822 /nfs/dbraw/zinc/54/18/22/345541822.db2.gz JGACQTRULDSFTL-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H](C[N@@H+](C)C(C)(C)C)C1 306679601 345541830 /nfs/dbraw/zinc/54/18/30/345541830.db2.gz IRYBGLWIUFOGOG-MNOVXSKESA-N 2 1 198.354 1.962 10 0 ADAEMP NC(=[NH2+])C[N@@H+]1C[C@H]2CCCC[C@H]2C1 306681297 345542967 /nfs/dbraw/zinc/54/29/67/345542967.db2.gz NRDRUZOALVIFBE-DTORHVGOSA-N 2 1 181.283 1.044 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1C[N@@H+](C)C1CC1 306683520 345545046 /nfs/dbraw/zinc/54/50/46/345545046.db2.gz WCIKUNFOYWOWFT-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1C[N@@H+](C)C1CC1 306683521 345545069 /nfs/dbraw/zinc/54/50/69/345545069.db2.gz WCIKUNFOYWOWFT-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1C[N@@H+](C)C1CC1 306683523 345545127 /nfs/dbraw/zinc/54/51/27/345545127.db2.gz WCIKUNFOYWOWFT-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1C[N@@H+](C)C1CC1 306683522 345545298 /nfs/dbraw/zinc/54/52/98/345545298.db2.gz WCIKUNFOYWOWFT-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C1CC([N@H+]2C[C@H]3CCCC[C@H]3C2)C1 306684155 345545599 /nfs/dbraw/zinc/54/55/99/345545599.db2.gz YTCLITZAEVPDTA-ZYANWLCNSA-N 2 1 194.322 1.598 10 0 ADAEMP C[C@@H]1CC[C@]1(CN)[N@@H+]1C[C@H]2C[C@H]2C1 306685475 345546249 /nfs/dbraw/zinc/54/62/49/345546249.db2.gz JBIYDJDVUKTKMT-CHWFTXMASA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[N@H+]1C[C@H]2C[C@H]2C1 306685475 345546250 /nfs/dbraw/zinc/54/62/50/345546250.db2.gz JBIYDJDVUKTKMT-CHWFTXMASA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[N@@H+]1C[C@H]2C[C@H]2C1 306685475 345546251 /nfs/dbraw/zinc/54/62/51/345546251.db2.gz JBIYDJDVUKTKMT-CHWFTXMASA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[C@@]1(C[NH3+])[N@H+]1C[C@H]2C[C@H]2C1 306685478 345546353 /nfs/dbraw/zinc/54/63/53/345546353.db2.gz JBIYDJDVUKTKMT-ZNSHCXBVSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[C@@]1(C[NH3+])[N@@H+]1C[C@H]2C[C@H]2C1 306685478 345546355 /nfs/dbraw/zinc/54/63/55/345546355.db2.gz JBIYDJDVUKTKMT-ZNSHCXBVSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1[NH+]1C2CCC1CC2 306689802 345548946 /nfs/dbraw/zinc/54/89/46/345548946.db2.gz OSJYICRBIOADKK-PMUOWJKOSA-N 2 1 180.295 1.364 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1[NH+]1C2CCC1CC2 306689801 345548880 /nfs/dbraw/zinc/54/88/80/345548880.db2.gz OSJYICRBIOADKK-IDWGSYCQSA-N 2 1 180.295 1.364 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1[NH+]1C2CCC1CC2 306689803 345548956 /nfs/dbraw/zinc/54/89/56/345548956.db2.gz OSJYICRBIOADKK-SFXRXQKFSA-N 2 1 180.295 1.364 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1[NH+]1C2CCC1CC2 306689800 345549063 /nfs/dbraw/zinc/54/90/63/345549063.db2.gz OSJYICRBIOADKK-AGVGLQIMSA-N 2 1 180.295 1.364 10 0 ADAEMP CC1CC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 306693736 345550964 /nfs/dbraw/zinc/55/09/64/345550964.db2.gz UBKOGYURCBAKKL-WIFZPCQCSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC2(C)C)C[NH2+]1 306693795 345550983 /nfs/dbraw/zinc/55/09/83/345550983.db2.gz UDNCDSRINOLNBW-UTLUCORTSA-N 2 1 182.311 1.515 10 0 ADAEMP CC1CC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 306693732 345550993 /nfs/dbraw/zinc/55/09/93/345550993.db2.gz UBKOGYURCBAKKL-LIZLNQBYSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@](F)([C@@H]2CCC[NH2+]2)C[NH2+]1 306693266 345551003 /nfs/dbraw/zinc/55/10/03/345551003.db2.gz SWJKJILIVJZTLG-KXUCPTDWSA-N 2 1 186.274 1.219 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 306693391 345551030 /nfs/dbraw/zinc/55/10/30/345551030.db2.gz TUHVWPMOXACLAC-RKDXNWHRSA-N 2 1 156.273 1.125 10 0 ADAEMP C[C@@H]1CC[C@@](F)([C@@H]2CCC[NH2+]2)C[NH2+]1 306693268 345551103 /nfs/dbraw/zinc/55/11/03/345551103.db2.gz SWJKJILIVJZTLG-UTLUCORTSA-N 2 1 186.274 1.219 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 306693387 345551121 /nfs/dbraw/zinc/55/11/21/345551121.db2.gz TUHVWPMOXACLAC-BDAKNGLRSA-N 2 1 156.273 1.125 10 0 ADAEMP CC(C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 306693388 345551163 /nfs/dbraw/zinc/55/11/63/345551163.db2.gz TUHVWPMOXACLAC-DTWKUNHWSA-N 2 1 156.273 1.125 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC2(C)C)C[NH2+]1 306693793 345551182 /nfs/dbraw/zinc/55/11/82/345551182.db2.gz UDNCDSRINOLNBW-KXUCPTDWSA-N 2 1 182.311 1.515 10 0 ADAEMP CC1CC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 306693737 345551225 /nfs/dbraw/zinc/55/12/25/345551225.db2.gz UBKOGYURCBAKKL-WYNUPADASA-N 2 1 182.311 1.515 10 0 ADAEMP CC(C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 306693390 345551242 /nfs/dbraw/zinc/55/12/42/345551242.db2.gz TUHVWPMOXACLAC-IUCAKERBSA-N 2 1 156.273 1.125 10 0 ADAEMP C[C@@H]1CC[C@](F)([C@H]2CCC[NH2+]2)C[NH2+]1 306693267 345551263 /nfs/dbraw/zinc/55/12/63/345551263.db2.gz SWJKJILIVJZTLG-OPRDCNLKSA-N 2 1 186.274 1.219 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C[NH2+]1 306693792 345551308 /nfs/dbraw/zinc/55/13/08/345551308.db2.gz UDNCDSRINOLNBW-BBBLOLIVSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@@](F)([C@H]2CCC[NH2+]2)C[NH2+]1 306693265 345551315 /nfs/dbraw/zinc/55/13/15/345551315.db2.gz SWJKJILIVJZTLG-BBBLOLIVSA-N 2 1 186.274 1.219 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC2(C)C)C[NH2+]1 306693794 345551346 /nfs/dbraw/zinc/55/13/46/345551346.db2.gz UDNCDSRINOLNBW-OPRDCNLKSA-N 2 1 182.311 1.515 10 0 ADAEMP CC1CC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 306693734 345551354 /nfs/dbraw/zinc/55/13/54/345551354.db2.gz UBKOGYURCBAKKL-SEQHWMEXSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]1CCC[N@@H+](CC2(C)C[NH2+]C2)C1 306695253 345552219 /nfs/dbraw/zinc/55/22/19/345552219.db2.gz VVTHJORGUHDMLM-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC2(C)C[NH2+]C2)C1 306695254 345552233 /nfs/dbraw/zinc/55/22/33/345552233.db2.gz VVTHJORGUHDMLM-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H]1C[C@@H]([NH+]2C3CCC2CC3)C[NH2+]1 306697101 345553221 /nfs/dbraw/zinc/55/32/21/345553221.db2.gz YSSQOWAYXJFPJJ-AGVGLQIMSA-N 2 1 180.295 1.364 10 0 ADAEMP CC[C@@H]1CC[N@H+](CC[NH3+])[C@@H]1C 306697315 345553241 /nfs/dbraw/zinc/55/32/41/345553241.db2.gz ZAPIRCWQODLVKG-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC[NH3+])[C@@H]1C 306697315 345553242 /nfs/dbraw/zinc/55/32/42/345553242.db2.gz ZAPIRCWQODLVKG-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1C[C@H]([NH+]2C3CCC2CC3)C[NH2+]1 306697104 345553253 /nfs/dbraw/zinc/55/32/53/345553253.db2.gz YSSQOWAYXJFPJJ-SFXRXQKFSA-N 2 1 180.295 1.364 10 0 ADAEMP CC[C@H]1CC[N@H+](CC[NH3+])[C@@H]1C 306697312 345553285 /nfs/dbraw/zinc/55/32/85/345553285.db2.gz ZAPIRCWQODLVKG-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC[NH3+])[C@@H]1C 306697312 345553286 /nfs/dbraw/zinc/55/32/86/345553286.db2.gz ZAPIRCWQODLVKG-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@H+](CC[NH3+])[C@H]1C 306697314 345553292 /nfs/dbraw/zinc/55/32/92/345553292.db2.gz ZAPIRCWQODLVKG-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]1CC[N@@H+](CC[NH3+])[C@H]1C 306697314 345553294 /nfs/dbraw/zinc/55/32/94/345553294.db2.gz ZAPIRCWQODLVKG-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1C[C@H]([NH+]2C3CCC2CC3)C[NH2+]1 306697103 345553484 /nfs/dbraw/zinc/55/34/84/345553484.db2.gz YSSQOWAYXJFPJJ-PMUOWJKOSA-N 2 1 180.295 1.364 10 0 ADAEMP CC[C@@H]1CC[N@H+](CC[NH3+])[C@H]1C 306697313 345553550 /nfs/dbraw/zinc/55/35/50/345553550.db2.gz ZAPIRCWQODLVKG-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1CC[N@@H+](CC[NH3+])[C@H]1C 306697313 345553553 /nfs/dbraw/zinc/55/35/53/345553553.db2.gz ZAPIRCWQODLVKG-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1CC([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 306703612 345557256 /nfs/dbraw/zinc/55/72/56/345557256.db2.gz IQXZISYLLYHRIP-RUJICJSRSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1CC([N@H+]2C[C@@H](C)[C@@](C)(C[NH3+])C2)C1 306703611 345557363 /nfs/dbraw/zinc/55/73/63/345557363.db2.gz IQXZISYLLYHRIP-RSJDFQLWSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1CC([N@H+]2C[C@H](C)[C@@](C)(C[NH3+])C2)C1 306703609 345557458 /nfs/dbraw/zinc/55/74/58/345557458.db2.gz IQXZISYLLYHRIP-ADPBJBESSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1CC([N@H+]2C[C@H](C)[C@](C)(C[NH3+])C2)C1 306703610 345557513 /nfs/dbraw/zinc/55/75/13/345557513.db2.gz IQXZISYLLYHRIP-POSLAHMBSA-N 2 1 196.338 1.702 10 0 ADAEMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](C1CC1)C2 306704451 345557859 /nfs/dbraw/zinc/55/78/59/345557859.db2.gz BXZKABSMDWIXDV-GXSJLCMTSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](C1CC1)C2 306704452 345557931 /nfs/dbraw/zinc/55/79/31/345557931.db2.gz BXZKABSMDWIXDV-KOLCDFICSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](C1CC1)C2 306704453 345557915 /nfs/dbraw/zinc/55/79/15/345557915.db2.gz BXZKABSMDWIXDV-MWLCHTKSSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C1CC1)C2 306704454 345558098 /nfs/dbraw/zinc/55/80/98/345558098.db2.gz BXZKABSMDWIXDV-ONGXEEELSA-N 2 1 180.295 1.210 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 306707047 345560387 /nfs/dbraw/zinc/56/03/87/345560387.db2.gz MFPKFJPJZULVHI-OUAUKWLOSA-N 2 1 180.295 1.032 10 0 ADAEMP C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 306707047 345560389 /nfs/dbraw/zinc/56/03/89/345560389.db2.gz MFPKFJPJZULVHI-OUAUKWLOSA-N 2 1 180.295 1.032 10 0 ADAEMP C[N@@H+]1C[C@H]2[C@@H]3CCCC[NH+]3C[C@H]2C1 306707045 345560665 /nfs/dbraw/zinc/56/06/65/345560665.db2.gz MFPKFJPJZULVHI-MXWKQRLJSA-N 2 1 180.295 1.032 10 0 ADAEMP C[NH+]1C[C@H]2[C@@H]3CCCC[N@H+]3C[C@H]2C1 306707045 345560667 /nfs/dbraw/zinc/56/06/67/345560667.db2.gz MFPKFJPJZULVHI-MXWKQRLJSA-N 2 1 180.295 1.032 10 0 ADAEMP C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 306707048 345560722 /nfs/dbraw/zinc/56/07/22/345560722.db2.gz MFPKFJPJZULVHI-VWYCJHECSA-N 2 1 180.295 1.032 10 0 ADAEMP C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 306707048 345560724 /nfs/dbraw/zinc/56/07/24/345560724.db2.gz MFPKFJPJZULVHI-VWYCJHECSA-N 2 1 180.295 1.032 10 0 ADAEMP C[NH+]1C[C@@H]2[C@H](C1)C[N@@H+]1CCCC[C@H]21 306707040 345560790 /nfs/dbraw/zinc/56/07/90/345560790.db2.gz MFPKFJPJZULVHI-GMTAPVOTSA-N 2 1 180.295 1.032 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC12CCCC2 306713966 345566066 /nfs/dbraw/zinc/56/60/66/345566066.db2.gz WAXRJDZALHQQBZ-LLVKDONJSA-N 2 1 182.311 1.648 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC12CCCC2 306713967 345566445 /nfs/dbraw/zinc/56/64/45/345566445.db2.gz WAXRJDZALHQQBZ-NSHDSACASA-N 2 1 182.311 1.648 10 0 ADAEMP CC1=C(C)C[N@H+]([C@@H](C)C[NH3+])CC1 306719593 345571147 /nfs/dbraw/zinc/57/11/47/345571147.db2.gz LFQJYEQAAVTTQI-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=C(C)C[N@@H+]([C@@H](C)C[NH3+])CC1 306719593 345571150 /nfs/dbraw/zinc/57/11/50/345571150.db2.gz LFQJYEQAAVTTQI-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=C(C)C[N@H+]([C@H](C)C[NH3+])CC1 306719594 345571209 /nfs/dbraw/zinc/57/12/09/345571209.db2.gz LFQJYEQAAVTTQI-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=C(C)C[N@@H+]([C@H](C)C[NH3+])CC1 306719594 345571213 /nfs/dbraw/zinc/57/12/13/345571213.db2.gz LFQJYEQAAVTTQI-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC1(C)C[N@H+](CC2CC2)C[C@@H]1[NH3+] 306723052 345573028 /nfs/dbraw/zinc/57/30/28/345573028.db2.gz QVKGSQZYEBUYGQ-VIFPVBQESA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[N@@H+](CC2CC2)C[C@@H]1[NH3+] 306723052 345573032 /nfs/dbraw/zinc/57/30/32/345573032.db2.gz QVKGSQZYEBUYGQ-VIFPVBQESA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[N@H+](CC2CC2)C[C@H]1[NH3+] 306723051 345573362 /nfs/dbraw/zinc/57/33/62/345573362.db2.gz QVKGSQZYEBUYGQ-SECBINFHSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)C[N@@H+](CC2CC2)C[C@H]1[NH3+] 306723051 345573364 /nfs/dbraw/zinc/57/33/64/345573364.db2.gz QVKGSQZYEBUYGQ-SECBINFHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1[C@H]1CC1(C)C 306724998 345575257 /nfs/dbraw/zinc/57/52/57/345575257.db2.gz JUWJEJPQQADBSX-SCZZXKLOSA-N 2 1 193.294 1.916 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1[C@@H]1CC1(C)C 306724999 345575325 /nfs/dbraw/zinc/57/53/25/345575325.db2.gz JUWJEJPQQADBSX-WCBMZHEXSA-N 2 1 193.294 1.916 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1[C@H]1CC1(C)C 306725000 345575446 /nfs/dbraw/zinc/57/54/46/345575446.db2.gz JUWJEJPQQADBSX-WPRPVWTQSA-N 2 1 193.294 1.916 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1[C@@H]1CC1(C)C 306724997 345575475 /nfs/dbraw/zinc/57/54/75/345575475.db2.gz JUWJEJPQQADBSX-PSASIEDQSA-N 2 1 193.294 1.916 10 0 ADAEMP C[C@H](C[NH3+])[NH2+]C1CC(C)(C)C1 306729121 345578580 /nfs/dbraw/zinc/57/85/80/345578580.db2.gz CMZAHHPLJQNQDP-SSDOTTSWSA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@@H](C[NH3+])[NH2+]C1CC(C)(C)C1 306729122 345578591 /nfs/dbraw/zinc/57/85/91/345578591.db2.gz CMZAHHPLJQNQDP-ZETCQYMHSA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCC2(CCCC2)C1 306734268 345581890 /nfs/dbraw/zinc/58/18/90/345581890.db2.gz UODWTSDFQZIRAM-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CCC2(CCCC2)C1 306734269 345581870 /nfs/dbraw/zinc/58/18/70/345581870.db2.gz UODWTSDFQZIRAM-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CCC2(CCCC2)C1 306734269 345581872 /nfs/dbraw/zinc/58/18/72/345581872.db2.gz UODWTSDFQZIRAM-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCC2(CCCC2)C1 306734268 345581889 /nfs/dbraw/zinc/58/18/89/345581889.db2.gz UODWTSDFQZIRAM-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP Cc1c[nH+]cn1[C@H](C)[C@@H](C)[NH3+] 306735308 345583083 /nfs/dbraw/zinc/58/30/83/345583083.db2.gz PESVHKCZXKTNCA-HTQZYQBOSA-N 2 1 153.229 1.100 10 0 ADAEMP Cc1c[nH+]cn1[C@@H](C)[C@@H](C)[NH3+] 306735324 345583256 /nfs/dbraw/zinc/58/32/56/345583256.db2.gz PESVHKCZXKTNCA-SFYZADRCSA-N 2 1 153.229 1.100 10 0 ADAEMP Cc1c[nH+]cn1[C@H](C)[C@H](C)[NH3+] 306735316 345583261 /nfs/dbraw/zinc/58/32/61/345583261.db2.gz PESVHKCZXKTNCA-JGVFFNPUSA-N 2 1 153.229 1.100 10 0 ADAEMP Cc1c[nH+]cn1[C@@H](C)[C@H](C)[NH3+] 306735327 345583363 /nfs/dbraw/zinc/58/33/63/345583363.db2.gz PESVHKCZXKTNCA-YUMQZZPRSA-N 2 1 153.229 1.100 10 0 ADAEMP CC1(C)C[C@@H]([NH3+])CC[N@H+](CCF)C1 306743772 345587271 /nfs/dbraw/zinc/58/72/71/345587271.db2.gz HKSLNNGSMYWHRF-VIFPVBQESA-N 2 1 188.290 1.405 10 0 ADAEMP CC1(C)C[C@@H]([NH3+])CC[N@@H+](CCF)C1 306743772 345587273 /nfs/dbraw/zinc/58/72/73/345587273.db2.gz HKSLNNGSMYWHRF-VIFPVBQESA-N 2 1 188.290 1.405 10 0 ADAEMP CC1(C)C[C@H]([NH3+])CC[N@H+](CCF)C1 306743771 345587523 /nfs/dbraw/zinc/58/75/23/345587523.db2.gz HKSLNNGSMYWHRF-SECBINFHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC1(C)C[C@H]([NH3+])CC[N@@H+](CCF)C1 306743771 345587525 /nfs/dbraw/zinc/58/75/25/345587525.db2.gz HKSLNNGSMYWHRF-SECBINFHSA-N 2 1 188.290 1.405 10 0 ADAEMP C1C[NH2+][C@H](C[N@@H+]2CCC3(CC3)C2)C1 306744247 345588304 /nfs/dbraw/zinc/58/83/04/345588304.db2.gz XUQHZHMLZJNMKD-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[NH2+][C@H](C[N@H+]2CCC3(CC3)C2)C1 306744247 345588305 /nfs/dbraw/zinc/58/83/05/345588305.db2.gz XUQHZHMLZJNMKD-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C)CC[N@@H+]1C 306745631 345588648 /nfs/dbraw/zinc/58/86/48/345588648.db2.gz AREWIRMTQQYAKI-VPOLOUISSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C)CC[N@H+]1C 306745631 345588649 /nfs/dbraw/zinc/58/86/49/345588649.db2.gz AREWIRMTQQYAKI-VPOLOUISSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 306745630 345588823 /nfs/dbraw/zinc/58/88/23/345588823.db2.gz AREWIRMTQQYAKI-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 306745630 345588827 /nfs/dbraw/zinc/58/88/27/345588827.db2.gz AREWIRMTQQYAKI-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCSC[C@H](C)C1 306748366 345589849 /nfs/dbraw/zinc/58/98/49/345589849.db2.gz JPPGLEYZYGWOKH-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1C[C@@H](C)[NH3+] 306850194 345656817 /nfs/dbraw/zinc/65/68/17/345656817.db2.gz OYMDRZAWKPWTPH-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCSC[C@H](C)C1 306748366 345589852 /nfs/dbraw/zinc/58/98/52/345589852.db2.gz JPPGLEYZYGWOKH-RKDXNWHRSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@@H]1CSCC[N@@H+](C[C@@H](C)[NH3+])C1 306748364 345589897 /nfs/dbraw/zinc/58/98/97/345589897.db2.gz JPPGLEYZYGWOKH-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP C[C@@H]1CSCC[N@H+](C[C@@H](C)[NH3+])C1 306748364 345589900 /nfs/dbraw/zinc/58/99/00/345589900.db2.gz JPPGLEYZYGWOKH-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H](N)[C@H]1C 306758271 345594559 /nfs/dbraw/zinc/59/45/59/345594559.db2.gz UGQUOHYYKAWEJS-AXFHLTTASA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H](N)[C@H]1C 306758274 345594632 /nfs/dbraw/zinc/59/46/32/345594632.db2.gz UGQUOHYYKAWEJS-HBNTYKKESA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@@H](N)[C@@H]1C 306758273 345594697 /nfs/dbraw/zinc/59/46/97/345594697.db2.gz UGQUOHYYKAWEJS-GARJFASQSA-N 2 1 184.327 1.843 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCC[C@H](N)[C@@H]1C 306758272 345594757 /nfs/dbraw/zinc/59/47/57/345594757.db2.gz UGQUOHYYKAWEJS-DCAQKATOSA-N 2 1 184.327 1.843 10 0 ADAEMP CCC[C@]1(C[NH3+])CCCC[NH2+]1 306758719 345595171 /nfs/dbraw/zinc/59/51/71/345595171.db2.gz OSTGAIGKIKASDI-SECBINFHSA-N 2 1 156.273 1.258 10 0 ADAEMP CCC[C@@]1(C[NH3+])CCCC[NH2+]1 306758722 345595407 /nfs/dbraw/zinc/59/54/07/345595407.db2.gz OSTGAIGKIKASDI-VIFPVBQESA-N 2 1 156.273 1.258 10 0 ADAEMP Cc1[nH+]cc([C@@H]2CCC[C@@H]2[NH3+])n1C 306763139 345599226 /nfs/dbraw/zinc/59/92/26/345599226.db2.gz UIUMYSIOKRRNON-BDAKNGLRSA-N 2 1 179.267 1.323 10 0 ADAEMP Cc1[nH+]cc([C@@H]2CCC[C@H]2[NH3+])n1C 306763159 345599272 /nfs/dbraw/zinc/59/92/72/345599272.db2.gz UIUMYSIOKRRNON-RKDXNWHRSA-N 2 1 179.267 1.323 10 0 ADAEMP Cc1[nH+]cc([C@H]2CCC[C@H]2[NH3+])n1C 306763146 345599284 /nfs/dbraw/zinc/59/92/84/345599284.db2.gz UIUMYSIOKRRNON-DTWKUNHWSA-N 2 1 179.267 1.323 10 0 ADAEMP Cc1[nH+]cc([C@H]2CCC[C@@H]2[NH3+])n1C 306763155 345599376 /nfs/dbraw/zinc/59/93/76/345599376.db2.gz UIUMYSIOKRRNON-IUCAKERBSA-N 2 1 179.267 1.323 10 0 ADAEMP C[C@H]1C[N@H+](C2CC(C)(C)C2)C[C@@H]1[NH3+] 306765940 345600408 /nfs/dbraw/zinc/60/04/08/345600408.db2.gz AHCPQYFPUMJZIO-WPRPVWTQSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC(C)(C)C2)C[C@H]1[NH3+] 306765932 345600605 /nfs/dbraw/zinc/60/06/05/345600605.db2.gz AHCPQYFPUMJZIO-PSASIEDQSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC(C)(C)C2)C[C@@H]1[NH3+] 306765935 345600722 /nfs/dbraw/zinc/60/07/22/345600722.db2.gz AHCPQYFPUMJZIO-SCZZXKLOSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CC=CC1 306768889 345602813 /nfs/dbraw/zinc/60/28/13/345602813.db2.gz FCERGMFDMNWULU-MWLCHTKSSA-N 2 1 180.295 1.435 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC=CC1 306768890 345602921 /nfs/dbraw/zinc/60/29/21/345602921.db2.gz FCERGMFDMNWULU-ONGXEEELSA-N 2 1 180.295 1.435 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CC=CC1 306768887 345602933 /nfs/dbraw/zinc/60/29/33/345602933.db2.gz FCERGMFDMNWULU-GXSJLCMTSA-N 2 1 180.295 1.435 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CC=CC1 306768888 345603017 /nfs/dbraw/zinc/60/30/17/345603017.db2.gz FCERGMFDMNWULU-KOLCDFICSA-N 2 1 180.295 1.435 10 0 ADAEMP CC(C)[C@]1(C)C[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 306771480 345604489 /nfs/dbraw/zinc/60/44/89/345604489.db2.gz GNMVVOLKKQETTH-VWYCJHECSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 306771480 345604492 /nfs/dbraw/zinc/60/44/92/345604492.db2.gz GNMVVOLKKQETTH-VWYCJHECSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 306771478 345604559 /nfs/dbraw/zinc/60/45/59/345604559.db2.gz GNMVVOLKKQETTH-DCAQKATOSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 306771478 345604562 /nfs/dbraw/zinc/60/45/62/345604562.db2.gz GNMVVOLKKQETTH-DCAQKATOSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@H]1[N@@H+]1CC[C@@H]([NH3+])C1 306771479 345604598 /nfs/dbraw/zinc/60/45/98/345604598.db2.gz GNMVVOLKKQETTH-MXWKQRLJSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@H]1[N@H+]1CC[C@@H]([NH3+])C1 306771479 345604602 /nfs/dbraw/zinc/60/46/02/345604602.db2.gz GNMVVOLKKQETTH-MXWKQRLJSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@H]1[N@@H+]1CC[C@H]([NH3+])C1 306771477 345604663 /nfs/dbraw/zinc/60/46/63/345604663.db2.gz GNMVVOLKKQETTH-AXFHLTTASA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[C@]1(C)C[C@H]1[N@H+]1CC[C@H]([NH3+])C1 306771477 345604665 /nfs/dbraw/zinc/60/46/65/345604665.db2.gz GNMVVOLKKQETTH-AXFHLTTASA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1[N@H+]1CCC2(CC2)C1 306773439 345605518 /nfs/dbraw/zinc/60/55/18/345605518.db2.gz ITUILGSDWNOTGR-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[N@H+]1CCC2(CC2)C1 306773441 345605669 /nfs/dbraw/zinc/60/56/69/345605669.db2.gz ITUILGSDWNOTGR-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[N@H+]1CCC2(CC2)C1 306773437 345605698 /nfs/dbraw/zinc/60/56/98/345605698.db2.gz ITUILGSDWNOTGR-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CCC2(CC2)C1 306773442 345605861 /nfs/dbraw/zinc/60/58/61/345605861.db2.gz ITUILGSDWNOTGR-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 306775373 345606613 /nfs/dbraw/zinc/60/66/13/345606613.db2.gz LLOKSIOOCSZFDW-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 306775376 345606652 /nfs/dbraw/zinc/60/66/52/345606652.db2.gz LLOKSIOOCSZFDW-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H](C(N)=[NH2+])[NH+]1C[C@H]2CCCC[C@@H]2C1 306778000 345608018 /nfs/dbraw/zinc/60/80/18/345608018.db2.gz PBZRSMPSGQLFDG-OPRDCNLKSA-N 2 1 195.310 1.433 10 0 ADAEMP C[C@H]([NH3+])C[N@H+](C)[C@H]1C=CCCC1 306778049 345608140 /nfs/dbraw/zinc/60/81/40/345608140.db2.gz PKRHZJNSHCKODH-UWVGGRQHSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)[C@H]1C=CCCC1 306778049 345608145 /nfs/dbraw/zinc/60/81/45/345608145.db2.gz PKRHZJNSHCKODH-UWVGGRQHSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H](C(N)=[NH2+])[NH+]1C[C@@H]2CCCC[C@H]2C1 306778001 345608183 /nfs/dbraw/zinc/60/81/83/345608183.db2.gz PBZRSMPSGQLFDG-UTLUCORTSA-N 2 1 195.310 1.433 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1C=CCCC1 306778048 345608409 /nfs/dbraw/zinc/60/84/09/345608409.db2.gz PKRHZJNSHCKODH-NXEZZACHSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1C=CCCC1 306778048 345608413 /nfs/dbraw/zinc/60/84/13/345608413.db2.gz PKRHZJNSHCKODH-NXEZZACHSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H]([NH3+])C[N@H+](C)[C@@H]1C=CCCC1 306778050 345608431 /nfs/dbraw/zinc/60/84/31/345608431.db2.gz PKRHZJNSHCKODH-VHSXEESVSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1C=CCCC1 306778050 345608434 /nfs/dbraw/zinc/60/84/34/345608434.db2.gz PKRHZJNSHCKODH-VHSXEESVSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+](C)[C@H]1C=CCCC1 306778051 345608495 /nfs/dbraw/zinc/60/84/95/345608495.db2.gz PKRHZJNSHCKODH-ZJUUUORDSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1C=CCCC1 306778051 345608496 /nfs/dbraw/zinc/60/84/96/345608496.db2.gz PKRHZJNSHCKODH-ZJUUUORDSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC(C)(C)C2)C[C@@H]1[NH3+] 306785378 345613052 /nfs/dbraw/zinc/61/30/52/345613052.db2.gz NPIIXMXFLZRFKK-ONGXEEELSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC(C)(C)C2)C[C@@H]1[NH3+] 306785376 345613216 /nfs/dbraw/zinc/61/32/16/345613216.db2.gz NPIIXMXFLZRFKK-KOLCDFICSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC(C)(C)C2)C[C@H]1[NH3+] 306785377 345613253 /nfs/dbraw/zinc/61/32/53/345613253.db2.gz NPIIXMXFLZRFKK-MWLCHTKSSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC(C)(C)C2)C[C@H]1[NH3+] 306785375 345613326 /nfs/dbraw/zinc/61/33/26/345613326.db2.gz NPIIXMXFLZRFKK-GXSJLCMTSA-N 2 1 196.338 1.844 10 0 ADAEMP CC1=C(C)C[N@@H+](CC[C@@H](C)[NH3+])CC1 306787079 345614052 /nfs/dbraw/zinc/61/40/52/345614052.db2.gz PUJKFOBRPWEGJI-LLVKDONJSA-N 2 1 182.311 1.766 10 0 ADAEMP CC1=C(C)C[N@@H+](CC[C@H](C)[NH3+])CC1 306787080 345614160 /nfs/dbraw/zinc/61/41/60/345614160.db2.gz PUJKFOBRPWEGJI-NSHDSACASA-N 2 1 182.311 1.766 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2CCC[C@H]21 306788007 345614829 /nfs/dbraw/zinc/61/48/29/345614829.db2.gz NQQXIOCVQGZARB-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@H]2CCC[C@H]21 306788007 345614832 /nfs/dbraw/zinc/61/48/32/345614832.db2.gz NQQXIOCVQGZARB-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2CCC[C@@H]21 306788003 345614910 /nfs/dbraw/zinc/61/49/10/345614910.db2.gz NQQXIOCVQGZARB-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC[C@H]2CCC[C@@H]21 306788003 345614913 /nfs/dbraw/zinc/61/49/13/345614913.db2.gz NQQXIOCVQGZARB-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[NH+]1CC(C)(C)C1 306797942 345621561 /nfs/dbraw/zinc/62/15/61/345621561.db2.gz LHEPECYMRDPPKK-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[NH+]1CC(C)(C)C1 306797948 345621574 /nfs/dbraw/zinc/62/15/74/345621574.db2.gz LHEPECYMRDPPKK-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[C@@]1(C[NH3+])[NH+]1CC(C)(C)C1 306797950 345621634 /nfs/dbraw/zinc/62/16/34/345621634.db2.gz LHEPECYMRDPPKK-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@]1(C[NH3+])[NH+]1CC(C)(C)C1 306797945 345621675 /nfs/dbraw/zinc/62/16/75/345621675.db2.gz LHEPECYMRDPPKK-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CC2CCC1CC2 306802519 345624290 /nfs/dbraw/zinc/62/42/90/345624290.db2.gz UBUPLRLHUAPGJD-UDNWOFFPSA-N 2 1 168.284 1.113 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC2CCC1CC2 306802518 345624474 /nfs/dbraw/zinc/62/44/74/345624474.db2.gz UBUPLRLHUAPGJD-RTBKNWGFSA-N 2 1 168.284 1.113 10 0 ADAEMP Cc1c[nH]c(N2CCC[C@H]([NH3+])[C@H]2C)[nH+]1 306808412 345627643 /nfs/dbraw/zinc/62/76/43/345627643.db2.gz PAEOBHGRXOVWJF-BDAKNGLRSA-N 2 1 194.282 1.034 10 0 ADAEMP Cc1c[nH]c(N2CCC[C@@H]([NH3+])[C@H]2C)[nH+]1 306808415 345627740 /nfs/dbraw/zinc/62/77/40/345627740.db2.gz PAEOBHGRXOVWJF-RKDXNWHRSA-N 2 1 194.282 1.034 10 0 ADAEMP Cc1c[nH]c(N2CCC[C@H]([NH3+])[C@@H]2C)[nH+]1 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/nfs/dbraw/zinc/66/36/17/345663617.db2.gz DHARUDLUSQNDOX-RGOKHQFPSA-N 2 1 170.300 1.310 10 0 ADAEMP C[N@@H+](C1CC([NH3+])C1)[C@H]1CCC1(C)C 306860201 345663627 /nfs/dbraw/zinc/66/36/27/345663627.db2.gz FTQZWLOTQVZPDO-RTBKNWGFSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H](N)C[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C 306859783 345663653 /nfs/dbraw/zinc/66/36/53/345663653.db2.gz DHARUDLUSQNDOX-XFWSIPNHSA-N 2 1 170.300 1.310 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CCC2(CC2)C1 306863126 345666211 /nfs/dbraw/zinc/66/62/11/345666211.db2.gz JKAPSZOQRJCREJ-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP C1C[NH2+]C[C@H]([NH+]2C3CCC2CC3)C1 306864470 345667050 /nfs/dbraw/zinc/66/70/50/345667050.db2.gz KLFAHEVYICWAGC-VQXHTEKXSA-N 2 1 180.295 1.365 10 0 ADAEMP C1C[NH2+][C@@H](C[NH+]2C3CCC2CC3)C1 306872063 345671128 /nfs/dbraw/zinc/67/11/28/345671128.db2.gz ZCKWCCNHFPCUDR-KPPDAEKUSA-N 2 1 180.295 1.365 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](NC(=[NH2+])C2CC2)C1 306878386 345674847 /nfs/dbraw/zinc/67/48/47/345674847.db2.gz INZKZJUDARJIGQ-SNVBAGLBSA-N 2 1 195.310 1.446 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](NC(=[NH2+])C2CC2)C1 306878382 345674953 /nfs/dbraw/zinc/67/49/53/345674953.db2.gz INZKZJUDARJIGQ-JTQLQIEISA-N 2 1 195.310 1.446 10 0 ADAEMP [NH3+]CC[NH2+][C@@H]1CC12CCCCC2 306880775 345676765 /nfs/dbraw/zinc/67/67/65/345676765.db2.gz KXVUSPAABKIAPB-SECBINFHSA-N 2 1 168.284 1.258 10 0 ADAEMP [NH3+]CC[NH2+][C@H]1CC12CCCCC2 306880780 345676881 /nfs/dbraw/zinc/67/68/81/345676881.db2.gz KXVUSPAABKIAPB-VIFPVBQESA-N 2 1 168.284 1.258 10 0 ADAEMP CC1(C)CC[N@H+](CC2(C)C[NH2+]C2)C1 306880079 345676990 /nfs/dbraw/zinc/67/69/90/345676990.db2.gz FSCJNMVHCTXFBO-UHFFFAOYSA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[N@H+]1CC[C@@H](NC2=[NH+]CCC2)C1 306881018 345677578 /nfs/dbraw/zinc/67/75/78/345677578.db2.gz LKQDKVGMGGIRFB-SNVBAGLBSA-N 2 1 195.310 1.253 10 0 ADAEMP CCC(=[NH2+])N[C@H]1CC[N@H+](C(C)C)C1 306881161 345677639 /nfs/dbraw/zinc/67/76/39/345677639.db2.gz LNWBUBUURYQVLZ-VIFPVBQESA-N 2 1 183.299 1.446 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1CC[N@H+](C(C)C)C1 306881160 345677647 /nfs/dbraw/zinc/67/76/47/345677647.db2.gz LNWBUBUURYQVLZ-SECBINFHSA-N 2 1 183.299 1.446 10 0 ADAEMP CCC[N@H+]1CC[C@H](NC2=[NH+]CCC2)C1 306881017 345677782 /nfs/dbraw/zinc/67/77/82/345677782.db2.gz LKQDKVGMGGIRFB-JTQLQIEISA-N 2 1 195.310 1.253 10 0 ADAEMP CC1(C)C[C@@H]([NH3+])CC[N@@H+](CC2CC2)C1 306884436 345681110 /nfs/dbraw/zinc/68/11/10/345681110.db2.gz QIPKFCZWBNKMLA-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[C@H]([NH3+])CC[N@@H+](CC2CC2)C1 306884435 345681338 /nfs/dbraw/zinc/68/13/38/345681338.db2.gz QIPKFCZWBNKMLA-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 306885222 345681793 /nfs/dbraw/zinc/68/17/93/345681793.db2.gz NINJNZULQJCXEG-DTWKUNHWSA-N 2 1 156.273 1.127 10 0 ADAEMP CCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 306885221 345681657 /nfs/dbraw/zinc/68/16/57/345681657.db2.gz NINJNZULQJCXEG-BDAKNGLRSA-N 2 1 156.273 1.127 10 0 ADAEMP CCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 306885224 345682078 /nfs/dbraw/zinc/68/20/78/345682078.db2.gz NINJNZULQJCXEG-RKDXNWHRSA-N 2 1 156.273 1.127 10 0 ADAEMP CCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 306885223 345682104 /nfs/dbraw/zinc/68/21/04/345682104.db2.gz NINJNZULQJCXEG-IUCAKERBSA-N 2 1 156.273 1.127 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)C[NH2+]1 306885996 345682535 /nfs/dbraw/zinc/68/25/35/345682535.db2.gz OPNUCZPVRZRHJB-ZNSHCXBVSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C[NH2+]1 306885993 345682633 /nfs/dbraw/zinc/68/26/33/345682633.db2.gz OPNUCZPVRZRHJB-CHWFTXMASA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 306887186 345683255 /nfs/dbraw/zinc/68/32/55/345683255.db2.gz UDFKLFHKDLZEFL-MRVPVSSYSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 306887186 345683257 /nfs/dbraw/zinc/68/32/57/345683257.db2.gz UDFKLFHKDLZEFL-MRVPVSSYSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 306887187 345683389 /nfs/dbraw/zinc/68/33/89/345683389.db2.gz UDFKLFHKDLZEFL-QMMMGPOBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 306887187 345683391 /nfs/dbraw/zinc/68/33/91/345683391.db2.gz UDFKLFHKDLZEFL-QMMMGPOBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C1(C)CCCC1 306892282 345688217 /nfs/dbraw/zinc/68/82/17/345688217.db2.gz GXXOPBGCXBVEIJ-MRVPVSSYSA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@@H](C[NH3+])C1(C)CCCC1 306892283 345688233 /nfs/dbraw/zinc/68/82/33/345688233.db2.gz GXXOPBGCXBVEIJ-QMMMGPOBSA-N 2 1 156.273 1.113 10 0 ADAEMP [NH3+]C1(C[N@H+]2CCC3(CC3)C2)CCC1 306893218 345688547 /nfs/dbraw/zinc/68/85/47/345688547.db2.gz XVEMXDAKYSOCPF-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306896587 345689697 /nfs/dbraw/zinc/68/96/97/345689697.db2.gz QGACANFTSULOLC-MXWKQRLJSA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CC=CC[C@H]2C1 306896587 345689700 /nfs/dbraw/zinc/68/97/00/345689700.db2.gz QGACANFTSULOLC-MXWKQRLJSA-N 2 1 180.295 1.232 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CC[C@H]([NH3+])C1 306897006 345689729 /nfs/dbraw/zinc/68/97/29/345689729.db2.gz RNDFCRJRVNOKKZ-UWVGGRQHSA-N 2 1 179.267 1.319 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CC[C@H]([NH3+])C1 306897008 345689779 /nfs/dbraw/zinc/68/97/79/345689779.db2.gz RNDFCRJRVNOKKZ-ZJUUUORDSA-N 2 1 179.267 1.319 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1C[C@H]2CC=CC[C@H]2C1 306896585 345689884 /nfs/dbraw/zinc/68/98/84/345689884.db2.gz QGACANFTSULOLC-GARJFASQSA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1C[C@H]2CC=CC[C@H]2C1 306896585 345689886 /nfs/dbraw/zinc/68/98/86/345689886.db2.gz QGACANFTSULOLC-GARJFASQSA-N 2 1 180.295 1.232 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CC[C@@H]([NH3+])C1 306897007 345689916 /nfs/dbraw/zinc/68/99/16/345689916.db2.gz RNDFCRJRVNOKKZ-VHSXEESVSA-N 2 1 179.267 1.319 10 0 ADAEMP C[C@H](C[NH3+])[NH+]1C[C@@H]2CC=CC[C@H]2C1 306896588 345689976 /nfs/dbraw/zinc/68/99/76/345689976.db2.gz QGACANFTSULOLC-VWYCJHECSA-N 2 1 180.295 1.232 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CC[C@@H]([NH3+])C1 306897005 345689983 /nfs/dbraw/zinc/68/99/83/345689983.db2.gz RNDFCRJRVNOKKZ-NXEZZACHSA-N 2 1 179.267 1.319 10 0 ADAEMP C[C@H](C[NH3+])[NH+]1C[C@H]2CC=CC[C@@H]2C1 306896586 345689987 /nfs/dbraw/zinc/68/99/87/345689987.db2.gz QGACANFTSULOLC-GMTAPVOTSA-N 2 1 180.295 1.232 10 0 ADAEMP C1CC[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)C[NH2+]C1 306899404 345690823 /nfs/dbraw/zinc/69/08/23/345690823.db2.gz JMTBUBUGNWICOC-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)[C@H](C)[C@H]1C 306899971 345691276 /nfs/dbraw/zinc/69/12/76/345691276.db2.gz DYWXBZVIYUXCSN-ABMFXWLOSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)[C@@H](C)[C@H]1C 306899974 345691443 /nfs/dbraw/zinc/69/14/43/345691443.db2.gz DYWXBZVIYUXCSN-IEAUDRPASA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)[C@@H](C)[C@@H]1C 306899973 345691455 /nfs/dbraw/zinc/69/14/55/345691455.db2.gz DYWXBZVIYUXCSN-GLAPFTFBSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)[C@H](C)[C@@H]1C 306899972 345691534 /nfs/dbraw/zinc/69/15/34/345691534.db2.gz DYWXBZVIYUXCSN-BEKAPZJXSA-N 2 1 182.311 1.452 10 0 ADAEMP [NH3+][C@H]1CCC[N@H+](CC2=CCCC2)C1 306912994 345696034 /nfs/dbraw/zinc/69/60/34/345696034.db2.gz SNGVUWYRTASDKJ-NSHDSACASA-N 2 1 180.295 1.520 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CC[NH2+]C2)S1 306912985 345696000 /nfs/dbraw/zinc/69/60/00/345696000.db2.gz SMWZVRLVAIUYKH-IWSPIJDZSA-N 2 1 186.324 1.037 10 0 ADAEMP [NH3+][C@H]1CCC[N@@H+](CC2=CCCC2)C1 306912994 345696036 /nfs/dbraw/zinc/69/60/36/345696036.db2.gz SNGVUWYRTASDKJ-NSHDSACASA-N 2 1 180.295 1.520 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)([C@H]2CC[NH2+]C2)S1 306912984 345696087 /nfs/dbraw/zinc/69/60/87/345696087.db2.gz SMWZVRLVAIUYKH-HRDYMLBCSA-N 2 1 186.324 1.037 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CCC1(C)C 306921122 345699403 /nfs/dbraw/zinc/69/94/03/345699403.db2.gz PEUBTGNHASNSTC-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 306922178 345699634 /nfs/dbraw/zinc/69/96/34/345699634.db2.gz ULUNDPRYZPPNRU-UTUOFQBUSA-N 2 1 196.338 1.572 10 0 ADAEMP CC(C)[C@@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 306922177 345699693 /nfs/dbraw/zinc/69/96/93/345699693.db2.gz ULUNDPRYZPPNRU-TUAOUCFPSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC1(C)C 306921123 345699729 /nfs/dbraw/zinc/69/97/29/345699729.db2.gz PEUBTGNHASNSTC-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]12 306925785 345701765 /nfs/dbraw/zinc/70/17/65/345701765.db2.gz NMIPEKGMFDTFBC-GARJFASQSA-N 2 1 180.295 1.066 10 0 ADAEMP Cc1[nH+]ccn1C[C@H](C)[NH+](C)C 306925254 345701773 /nfs/dbraw/zinc/70/17/73/345701773.db2.gz LWPMQIMYYXQNLP-QMMMGPOBSA-N 2 1 167.256 1.142 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H](C)[NH+](C)C 306925253 345701818 /nfs/dbraw/zinc/70/18/18/345701818.db2.gz LWPMQIMYYXQNLP-MRVPVSSYSA-N 2 1 167.256 1.142 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 306925788 345701868 /nfs/dbraw/zinc/70/18/68/345701868.db2.gz NMIPEKGMFDTFBC-OUAUKWLOSA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@@H]12 306925787 345701877 /nfs/dbraw/zinc/70/18/77/345701877.db2.gz NMIPEKGMFDTFBC-HBNTYKKESA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@H]21 306925786 345702016 /nfs/dbraw/zinc/70/20/16/345702016.db2.gz NMIPEKGMFDTFBC-GMTAPVOTSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[N@H+]1CC[C@H]1C 306935174 345706826 /nfs/dbraw/zinc/70/68/26/345706826.db2.gz HZKGLCGVBVSAMA-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 306935175 345706612 /nfs/dbraw/zinc/70/66/12/345706612.db2.gz HZKGLCGVBVSAMA-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 306935175 345706613 /nfs/dbraw/zinc/70/66/13/345706613.db2.gz HZKGLCGVBVSAMA-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@H]1[C@H](C)CC[NH2+][C@@H]1C 306935176 345706679 /nfs/dbraw/zinc/70/66/79/345706679.db2.gz HZKGLCGVBVSAMA-YTWAJWBKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@H]1[C@H](C)CC[NH2+][C@@H]1C 306935176 345706680 /nfs/dbraw/zinc/70/66/80/345706680.db2.gz HZKGLCGVBVSAMA-YTWAJWBKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[N@H+]1CC[C@H]1C 306935173 345706803 /nfs/dbraw/zinc/70/68/03/345706803.db2.gz HZKGLCGVBVSAMA-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[N@@H+]1CC[C@H]1C 306935173 345706804 /nfs/dbraw/zinc/70/68/04/345706804.db2.gz HZKGLCGVBVSAMA-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[N@@H+]1CC[C@H]1C 306935174 345706828 /nfs/dbraw/zinc/70/68/28/345706828.db2.gz HZKGLCGVBVSAMA-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@]1([NH2+]CC[NH3+])CC=CCC1 306940125 345709001 /nfs/dbraw/zinc/70/90/01/345709001.db2.gz BPESXKXPZDQMGV-VIFPVBQESA-N 2 1 154.257 1.034 10 0 ADAEMP C[C@@]1([NH2+]CC[NH3+])CC=CCC1 306940124 345709093 /nfs/dbraw/zinc/70/90/93/345709093.db2.gz BPESXKXPZDQMGV-SECBINFHSA-N 2 1 154.257 1.034 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 306943607 345710737 /nfs/dbraw/zinc/71/07/37/345710737.db2.gz ACSBDPWYGZJMFN-UKKRHICBSA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@@H+]1C[C@H]2C[C@H]2C1 306943603 345710747 /nfs/dbraw/zinc/71/07/47/345710747.db2.gz ACSBDPWYGZJMFN-CHWFTXMASA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 306945817 345711788 /nfs/dbraw/zinc/71/17/88/345711788.db2.gz LMPKPBBUHNBFKC-NFTFJBJSSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@@H+](C)C1CC([NH3+])C1 306945818 345711827 /nfs/dbraw/zinc/71/18/27/345711827.db2.gz LMPKPBBUHNBFKC-SEZDTBSWSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 306945819 345712071 /nfs/dbraw/zinc/71/20/71/345712071.db2.gz LMPKPBBUHNBFKC-WOOKNIGNSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1CC[C@H]1[N@@H+](C)C1CC([NH3+])C1 306945816 345712222 /nfs/dbraw/zinc/71/22/22/345712222.db2.gz LMPKPBBUHNBFKC-AUXWQGHOSA-N 2 1 168.284 1.206 10 0 ADAEMP CC(C)(C)[C@@H]([NH3+])C[NH+]1CC=CC1 306948343 345713890 /nfs/dbraw/zinc/71/38/90/345713890.db2.gz SMHYYGHRCQRLAN-VIFPVBQESA-N 2 1 168.284 1.232 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]3C[C@H](C2)C3[NH3+])C1 306952930 345716089 /nfs/dbraw/zinc/71/60/89/345716089.db2.gz MGNUJYMKQBGXQR-YFYNPKGQSA-N 2 1 180.295 1.064 10 0 ADAEMP C1C[C@H]2[C@H](C1)C[N@@H+]2C[C@@H]1CC[NH2+]C1 306956508 345717645 /nfs/dbraw/zinc/71/76/45/345717645.db2.gz RPNGZESLNOUXAR-MXWKQRLJSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)[C@@H]2C1 306956506 345717723 /nfs/dbraw/zinc/71/77/23/345717723.db2.gz RPNGZESLNOUXAR-GMTAPVOTSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@@H]2C[N@H+](C[C@H]3CC[NH2+]C3)[C@@H]2C1 306956507 345717735 /nfs/dbraw/zinc/71/77/35/345717735.db2.gz RPNGZESLNOUXAR-HBNTYKKESA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[C@H]2[C@H](C1)C[N@@H+]2C[C@H]1CC[NH2+]C1 306956505 345717791 /nfs/dbraw/zinc/71/77/91/345717791.db2.gz RPNGZESLNOUXAR-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP [NH3+]CC[C@@H]([NH3+])c1sccc1Cl 306961974 345721339 /nfs/dbraw/zinc/72/13/39/345721339.db2.gz FNLJZSCZPGFDAR-ZCFIWIBFSA-N 2 1 190.699 1.750 10 0 ADAEMP [NH3+]CC[C@H]([NH3+])c1sccc1Cl 306961973 345721372 /nfs/dbraw/zinc/72/13/72/345721372.db2.gz FNLJZSCZPGFDAR-LURJTMIESA-N 2 1 190.699 1.750 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CCCC12CCCC2 306963048 345721636 /nfs/dbraw/zinc/72/16/36/345721636.db2.gz LCMUXQILBTYPOS-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CCCC12CCCC2 306963048 345721639 /nfs/dbraw/zinc/72/16/39/345721639.db2.gz LCMUXQILBTYPOS-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCCC12CCCC2 306963047 345721850 /nfs/dbraw/zinc/72/18/50/345721850.db2.gz LCMUXQILBTYPOS-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCCC12CCCC2 306963047 345721852 /nfs/dbraw/zinc/72/18/52/345721852.db2.gz LCMUXQILBTYPOS-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC2(CC2)C1 306963876 345722213 /nfs/dbraw/zinc/72/22/13/345722213.db2.gz CYYSGPQUTCDQND-VHSXEESVSA-N 2 1 180.295 1.210 10 0 ADAEMP CC[C@@]1(C)CC[N@@H+](CCN)C1 306963814 345722239 /nfs/dbraw/zinc/72/22/39/345722239.db2.gz LVVSVTBQUDFYHJ-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CC[C@@]1(C)CC[N@H+](CC[NH3+])C1 306963814 345722244 /nfs/dbraw/zinc/72/22/44/345722244.db2.gz LVVSVTBQUDFYHJ-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP CC[C@@]1(C)CC[N@@H+](CC[NH3+])C1 306963814 345722245 /nfs/dbraw/zinc/72/22/45/345722245.db2.gz LVVSVTBQUDFYHJ-VIFPVBQESA-N 2 1 156.273 1.067 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC2(CC2)C1 306963872 345722258 /nfs/dbraw/zinc/72/22/58/345722258.db2.gz CYYSGPQUTCDQND-UWVGGRQHSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@H]1CC[C@H]1[N@H+]1CCC2(CC2)C1 306963867 345722343 /nfs/dbraw/zinc/72/23/43/345722343.db2.gz CYYSGPQUTCDQND-NXEZZACHSA-N 2 1 180.295 1.210 10 0 ADAEMP CC[C@]1(C)CC[N@@H+](CCN)C1 306963811 345722392 /nfs/dbraw/zinc/72/23/92/345722392.db2.gz LVVSVTBQUDFYHJ-SECBINFHSA-N 2 1 156.273 1.067 10 0 ADAEMP CC1(C[N@H+]2CCC3(CC3)C2)C[NH2+]C1 306966658 345723877 /nfs/dbraw/zinc/72/38/77/345723877.db2.gz LNHDBJXEMSJOLF-UHFFFAOYSA-N 2 1 180.295 1.082 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C1CC([NH3+])C1 306968532 345724689 /nfs/dbraw/zinc/72/46/89/345724689.db2.gz HTOBOURFWJKOHS-XHHQTKHESA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CC[N@@H+](C2CC([NH3+])C2)[C@@H]1C 306968529 345724851 /nfs/dbraw/zinc/72/48/51/345724851.db2.gz HTOBOURFWJKOHS-LGUIWLBCSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1CC[N@@H+](C2CC([NH3+])C2)[C@@H]1C 306968524 345724860 /nfs/dbraw/zinc/72/48/60/345724860.db2.gz HTOBOURFWJKOHS-AFWXGSBKSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1CC[N@@H+](C2CC([NH3+])C2)[C@H]1C 306968527 345724902 /nfs/dbraw/zinc/72/49/02/345724902.db2.gz HTOBOURFWJKOHS-DKEVHCRPSA-N 2 1 168.284 1.206 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1CC[C@H]2CCCC[C@H]21 306979280 345731746 /nfs/dbraw/zinc/73/17/46/345731746.db2.gz FPRWPBDHOFXTDC-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC1(C)[C@H]2C[N@@H+](CC3([NH3+])CC3)C[C@H]21 306984681 345734747 /nfs/dbraw/zinc/73/47/47/345734747.db2.gz VLANTFIKTOUCTI-DTORHVGOSA-N 2 1 180.295 1.066 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH3+])CC(C)(C)C1 306988290 345736396 /nfs/dbraw/zinc/73/63/96/345736396.db2.gz GHBZLYQQVCLRND-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])CC(C)(C)C1 306988283 345736700 /nfs/dbraw/zinc/73/67/00/345736700.db2.gz GHBZLYQQVCLRND-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CS[C@](C)([C@H]2CC[NH2+]C2)[NH2+]1 306993471 345739921 /nfs/dbraw/zinc/73/99/21/345739921.db2.gz ZKKFLYOOYOFSKB-HRDYMLBCSA-N 2 1 186.324 1.037 10 0 ADAEMP C[C@@H]1CS[C@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 306993472 345740016 /nfs/dbraw/zinc/74/00/16/345740016.db2.gz ZKKFLYOOYOFSKB-IWSPIJDZSA-N 2 1 186.324 1.037 10 0 ADAEMP C[C@@H]1CS[C@@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 306993470 345740023 /nfs/dbraw/zinc/74/00/23/345740023.db2.gz ZKKFLYOOYOFSKB-HLTSFMKQSA-N 2 1 186.324 1.037 10 0 ADAEMP C[C@@H]1CS[C@@](C)([C@H]2CC[NH2+]C2)[NH2+]1 306993473 345740088 /nfs/dbraw/zinc/74/00/88/345740088.db2.gz ZKKFLYOOYOFSKB-VGMNWLOBSA-N 2 1 186.324 1.037 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H](C[N@@H+]2C[C@H]3C[C@H]3C2)C1 306999968 345743082 /nfs/dbraw/zinc/74/30/82/345743082.db2.gz BPHHIQVJXSWLMV-CHWFTXMASA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]1C 307008156 345748872 /nfs/dbraw/zinc/74/88/72/345748872.db2.gz GUCDPYAXKXIJNJ-YTWAJWBKSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H]1C 307008154 345748947 /nfs/dbraw/zinc/74/89/47/345748947.db2.gz GUCDPYAXKXIJNJ-DBIOUOCHSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)[C@@H]1C 307008157 345748963 /nfs/dbraw/zinc/74/89/63/345748963.db2.gz GUCDPYAXKXIJNJ-ZNSHCXBVSA-N 2 1 182.311 1.373 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 307008632 345748974 /nfs/dbraw/zinc/74/89/74/345748974.db2.gz HSJOVJIMTSMANF-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@]1(C)C[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 307008631 345749032 /nfs/dbraw/zinc/74/90/32/345749032.db2.gz HSJOVJIMTSMANF-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]1C 307008155 345749112 /nfs/dbraw/zinc/74/91/12/345749112.db2.gz GUCDPYAXKXIJNJ-RCWTZXSCSA-N 2 1 182.311 1.373 10 0 ADAEMP CC[C@]1(C)C[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 307008634 345749150 /nfs/dbraw/zinc/74/91/50/345749150.db2.gz HSJOVJIMTSMANF-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 307008633 345749158 /nfs/dbraw/zinc/74/91/58/345749158.db2.gz HSJOVJIMTSMANF-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C 307011562 345751251 /nfs/dbraw/zinc/75/12/51/345751251.db2.gz LAIKSOYWIJSDOQ-LVEVGFFFSA-N 2 1 194.322 1.182 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1C 307011561 345751283 /nfs/dbraw/zinc/75/12/83/345751283.db2.gz LAIKSOYWIJSDOQ-JCIQBVFBSA-N 2 1 194.322 1.182 10 0 ADAEMP C[C@H]1[C@H](C)C[C@H]1[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 307011559 345751303 /nfs/dbraw/zinc/75/13/03/345751303.db2.gz LAIKSOYWIJSDOQ-CSYMLDBXSA-N 2 1 194.322 1.182 10 0 ADAEMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1C 307011563 345751409 /nfs/dbraw/zinc/75/14/09/345751409.db2.gz LAIKSOYWIJSDOQ-PZWNZHSQSA-N 2 1 194.322 1.182 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 307015626 345754299 /nfs/dbraw/zinc/75/42/99/345754299.db2.gz QHTFKVRLDQGVQT-LMLFDSFASA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]21 307015624 345754333 /nfs/dbraw/zinc/75/43/33/345754333.db2.gz QHTFKVRLDQGVQT-CHWFTXMASA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 307015627 345754361 /nfs/dbraw/zinc/75/43/61/345754361.db2.gz QHTFKVRLDQGVQT-VPOLOUISSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[C@@H]2C[NH2+]C[C@H]21 307015625 345754442 /nfs/dbraw/zinc/75/44/42/345754442.db2.gz QHTFKVRLDQGVQT-GWOFURMSSA-N 2 1 180.295 1.079 10 0 ADAEMP CC[N@H+]1CC[C@]2(CC[NH2+]C[C@@H]2C)C1 307020148 345757932 /nfs/dbraw/zinc/75/79/32/345757932.db2.gz WDZDDOGNSKNYJD-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[NH2+]C[C@H]2C)C1 307020146 345757949 /nfs/dbraw/zinc/75/79/49/345757949.db2.gz WDZDDOGNSKNYJD-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1C[C@@H]([NH3+])C1(C)C 307020111 345757958 /nfs/dbraw/zinc/75/79/58/345757958.db2.gz WBMYGACKJLWEHX-BDAKNGLRSA-N 2 1 179.267 1.490 10 0 ADAEMP CC[N@H+]1CC[C@]2(CC[NH2+]C[C@H]2C)C1 307020145 345758009 /nfs/dbraw/zinc/75/80/09/345758009.db2.gz WDZDDOGNSKNYJD-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP CC[N@H+]1CC[C@@]2(CC[NH2+]C[C@@H]2C)C1 307020147 345758028 /nfs/dbraw/zinc/75/80/28/345758028.db2.gz WDZDDOGNSKNYJD-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1C[C@H]([NH3+])C1(C)C 307020112 345758045 /nfs/dbraw/zinc/75/80/45/345758045.db2.gz WBMYGACKJLWEHX-DTWKUNHWSA-N 2 1 179.267 1.490 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1C[C@H]([NH3+])C1(C)C 307020113 345758103 /nfs/dbraw/zinc/75/81/03/345758103.db2.gz WBMYGACKJLWEHX-IUCAKERBSA-N 2 1 179.267 1.490 10 0 ADAEMP C[C@H]1CC[C@@H]1N1CC[NH2+][C@H](C)CC1 307022758 345759584 /nfs/dbraw/zinc/75/95/84/345759584.db2.gz HHOOUHKKDNQMOC-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C1C[NH2+][C@@H](C[N@@H+]2CCC3(CC3)C2)C1 307023137 345759621 /nfs/dbraw/zinc/75/96/21/345759621.db2.gz XUQHZHMLZJNMKD-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[NH2+][C@@H](C[N@H+]2CCC3(CC3)C2)C1 307023137 345759624 /nfs/dbraw/zinc/75/96/24/345759624.db2.gz XUQHZHMLZJNMKD-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@@H]1CCN([C@H]2CC[C@H]2C)CC[NH2+]1 307022764 345759682 /nfs/dbraw/zinc/75/96/82/345759682.db2.gz HHOOUHKKDNQMOC-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP 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345763942 /nfs/dbraw/zinc/76/39/42/345763942.db2.gz ZXYQHCUITKQARL-UHFFFAOYSA-N 2 1 193.294 1.030 10 0 ADAEMP C[C@H]1C[N@H+](CC(N)=[NH2+])C(C)(C)C1 307029510 345765639 /nfs/dbraw/zinc/76/56/39/345765639.db2.gz CQIAZEAKCRYMQE-SSDOTTSWSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@H]1C[N@@H+](CC(N)=[NH2+])C(C)(C)C1 307029510 345765640 /nfs/dbraw/zinc/76/56/40/345765640.db2.gz CQIAZEAKCRYMQE-SSDOTTSWSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@@H]1C[N@H+](CC(N)=[NH2+])C(C)(C)C1 307029511 345765744 /nfs/dbraw/zinc/76/57/44/345765744.db2.gz CQIAZEAKCRYMQE-ZETCQYMHSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(N)=[NH2+])C(C)(C)C1 307029511 345765747 /nfs/dbraw/zinc/76/57/47/345765747.db2.gz CQIAZEAKCRYMQE-ZETCQYMHSA-N 2 1 169.272 1.043 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307033388 345767855 /nfs/dbraw/zinc/76/78/55/345767855.db2.gz SPNWITLVKHKSOX-GDPRMGEGSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CCNCC[C@H]1C 307035373 345768760 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1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](CC2(C)C[NH2+]C2)C1 307098692 345808535 /nfs/dbraw/zinc/80/85/35/345808535.db2.gz WGPLUEQBOYCAEZ-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](CC2(C)C[NH2+]C2)C1 307098688 345808577 /nfs/dbraw/zinc/80/85/77/345808577.db2.gz WGPLUEQBOYCAEZ-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP Cn1cc[nH+]c1[C@H]1CC[C@H]([NH3+])CC1 307100421 345809881 /nfs/dbraw/zinc/80/98/81/345809881.db2.gz TUHZMSMQUHQRHF-KYZUINATSA-N 2 1 179.267 1.405 10 0 ADAEMP Cc1ccc(NCC2C[NH2+]C2)[nH+]c1 307101189 345810293 /nfs/dbraw/zinc/81/02/93/345810293.db2.gz YONBBBDRWVMOTN-UHFFFAOYSA-N 2 1 177.251 1.021 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]2[NH2+]CCC[C@H]21 307105163 345812251 /nfs/dbraw/zinc/81/22/51/345812251.db2.gz XMYRXQAODLLKDL-GHMZBOCLSA-N 2 1 182.311 1.611 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]2[NH2+]CCC[C@H]21 307105169 345812421 /nfs/dbraw/zinc/81/24/21/345812421.db2.gz XMYRXQAODLLKDL-WDEREUQCSA-N 2 1 182.311 1.611 10 0 ADAEMP 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Cc1c[nH+]cn1[C@@H]1CC[NH2+]C1(C)C 307112493 345816369 /nfs/dbraw/zinc/81/63/69/345816369.db2.gz PZOPWZOTLOHISF-SECBINFHSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+]C1(C)C 307112495 345816970 /nfs/dbraw/zinc/81/69/70/345816970.db2.gz PZOPWZOTLOHISF-VIFPVBQESA-N 2 1 179.267 1.505 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CC[C@H]([NH3+])C1 307119199 345820079 /nfs/dbraw/zinc/82/00/79/345820079.db2.gz RNVVJXPTGZJCNC-WPRPVWTQSA-N 2 1 179.267 1.498 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CC[C@@H]([NH3+])C1 307119197 345820184 /nfs/dbraw/zinc/82/01/84/345820184.db2.gz RNVVJXPTGZJCNC-SCZZXKLOSA-N 2 1 179.267 1.498 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CC[C@@H]([NH3+])C1 307119196 345820369 /nfs/dbraw/zinc/82/03/69/345820369.db2.gz RNVVJXPTGZJCNC-PSASIEDQSA-N 2 1 179.267 1.498 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CC[C@H]([NH3+])C1 307119198 345820397 /nfs/dbraw/zinc/82/03/97/345820397.db2.gz RNVVJXPTGZJCNC-WCBMZHEXSA-N 2 1 179.267 1.498 10 0 ADAEMP CC1CC([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 307126685 345824659 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KAXNEFJQLPRAKL-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP CC(=[NH2+])N1CC[C@@]2(CC[N@H+](C)C2)C1 307133668 345829379 /nfs/dbraw/zinc/82/93/79/345829379.db2.gz NCXDOTZSDSXKHF-SNVBAGLBSA-N 2 1 181.283 1.011 10 0 ADAEMP CC(=[NH2+])N1CC[C@]2(CC[N@H+](C)C2)C1 307133667 345829530 /nfs/dbraw/zinc/82/95/30/345829530.db2.gz NCXDOTZSDSXKHF-JTQLQIEISA-N 2 1 181.283 1.011 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCC12CCC2 307139116 345833011 /nfs/dbraw/zinc/83/30/11/345833011.db2.gz CIXLQGPOSPIYSM-SNVBAGLBSA-N 2 1 168.284 1.258 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCC12CCC2 307139111 345833269 /nfs/dbraw/zinc/83/32/69/345833269.db2.gz CIXLQGPOSPIYSM-JTQLQIEISA-N 2 1 168.284 1.258 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 307143136 345836265 /nfs/dbraw/zinc/83/62/65/345836265.db2.gz GATMLGPONHLTAE-QJPTWQEYSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 307143138 345836501 /nfs/dbraw/zinc/83/65/01/345836501.db2.gz GATMLGPONHLTAE-SDDRHHMPSA-N 2 1 196.338 1.907 10 0 ADAEMP CC1(C)[C@H]2C[N@H+](C3CC([NH3+])C3)C[C@H]21 307143542 345836961 /nfs/dbraw/zinc/83/69/61/345836961.db2.gz GPGXPICLEFOHRX-OXYCZDQYSA-N 2 1 180.295 1.064 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2CCC[C@@]2(C[NH3+])C1 307144583 345837495 /nfs/dbraw/zinc/83/74/95/345837495.db2.gz FWZRQFSOOVVADE-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CCC[C@@]2(C[NH3+])C1 307144586 345838088 /nfs/dbraw/zinc/83/80/88/345838088.db2.gz FWZRQFSOOVVADE-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[N@H+]1C[C@H]2CCC[C@]2(C[NH3+])C1 307144584 345838284 /nfs/dbraw/zinc/83/82/84/345838284.db2.gz FWZRQFSOOVVADE-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP C[N@@H+](C1CC([NH3+])C1)C1CC(C)(C)C1 307153649 345846328 /nfs/dbraw/zinc/84/63/28/345846328.db2.gz CPBVLVUCVPMCSX-UHFFFAOYSA-N 2 1 182.311 1.597 10 0 ADAEMP Cc1[nH+]cc(C2=C[C@H]([NH3+])CC2)n1C 307157356 345848791 /nfs/dbraw/zinc/84/87/91/345848791.db2.gz QDUVKFTVBVBAQK-SECBINFHSA-N 2 1 177.251 1.233 10 0 ADAEMP 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C[C@H]1[C@H](C)CC[N@H+]1[C@H](C)C(N)=[NH2+] 307163201 345855004 /nfs/dbraw/zinc/85/50/04/345855004.db2.gz YZZMDJDEUAOQBL-GJMOJQLCSA-N 2 1 169.272 1.041 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1[C@H](C)C(N)=[NH2+] 307163201 345855008 /nfs/dbraw/zinc/85/50/08/345855008.db2.gz YZZMDJDEUAOQBL-GJMOJQLCSA-N 2 1 169.272 1.041 10 0 ADAEMP CC1(C)CC[C@@H]1[N@@H+]1CC[C@H]([NH3+])C1 307167800 345860290 /nfs/dbraw/zinc/86/02/90/345860290.db2.gz SMYHPWHNRSQIFO-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC[C@@H]1[N@H+]1CC[C@H]([NH3+])C1 307167800 345860293 /nfs/dbraw/zinc/86/02/93/345860293.db2.gz SMYHPWHNRSQIFO-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC[C@@H]1[N@@H+]1CC[C@@H]([NH3+])C1 307167798 345860498 /nfs/dbraw/zinc/86/04/98/345860498.db2.gz SMYHPWHNRSQIFO-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC[C@@H]1[N@H+]1CC[C@@H]([NH3+])C1 307167798 345860502 /nfs/dbraw/zinc/86/05/02/345860502.db2.gz SMYHPWHNRSQIFO-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP 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AWNGKMOGAKIJAT-LURQLKTLSA-N 2 1 183.299 1.287 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)C(N)=[NH2+])[C@@H](C)[C@@H]1C 307171008 345863603 /nfs/dbraw/zinc/86/36/03/345863603.db2.gz AWNGKMOGAKIJAT-LURQLKTLSA-N 2 1 183.299 1.287 10 0 ADAEMP C1C[NH2+][C@H](C[N@@H+]2CC3CCC2CC3)C1 307172253 345864147 /nfs/dbraw/zinc/86/41/47/345864147.db2.gz BQTBWZFULHIQHV-CXQJBGSLSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+][C@H](C[N@H+]2CC3CCC2CC3)C1 307172253 345864151 /nfs/dbraw/zinc/86/41/51/345864151.db2.gz BQTBWZFULHIQHV-CXQJBGSLSA-N 2 1 194.322 1.613 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307178602 345868407 /nfs/dbraw/zinc/86/84/07/345868407.db2.gz KKKHQMRYVCDMAG-MMWGEVLESA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307178605 345868462 /nfs/dbraw/zinc/86/84/62/345868462.db2.gz KKKHQMRYVCDMAG-UKKRHICBSA-N 2 1 180.295 1.066 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[NH2+]C[C@H]1C 307180665 345869792 /nfs/dbraw/zinc/86/97/92/345869792.db2.gz OTNKJKNWUHDJOD-PSASIEDQSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+]C[C@H]1C 307180666 345869824 /nfs/dbraw/zinc/86/98/24/345869824.db2.gz OTNKJKNWUHDJOD-SCZZXKLOSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[NH2+]C[C@@H]1C 307180667 345869892 /nfs/dbraw/zinc/86/98/92/345869892.db2.gz OTNKJKNWUHDJOD-WCBMZHEXSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+]C[C@@H]1C 307180668 345870355 /nfs/dbraw/zinc/87/03/55/345870355.db2.gz OTNKJKNWUHDJOD-WPRPVWTQSA-N 2 1 179.267 1.362 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1C[C@H]2C[C@H]2C1 307183757 345872413 /nfs/dbraw/zinc/87/24/13/345872413.db2.gz ZBDNBPMEOBRDJV-YTWAJWBKSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1C[N@@H+](CCN)[C@H]2CCCC[C@H]12 307184691 345873178 /nfs/dbraw/zinc/87/31/78/345873178.db2.gz QSCSIVFWOAOONB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](CC[NH3+])[C@H]2CCCC[C@H]12 307184691 345873180 /nfs/dbraw/zinc/87/31/80/345873180.db2.gz QSCSIVFWOAOONB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[NH3+])[C@H]2CCCC[C@H]12 307184691 345873182 /nfs/dbraw/zinc/87/31/82/345873182.db2.gz QSCSIVFWOAOONB-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](CCN)[C@H]2CCCC[C@@H]12 307184702 345873231 /nfs/dbraw/zinc/87/32/31/345873231.db2.gz QSCSIVFWOAOONB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](CC[NH3+])[C@H]2CCCC[C@@H]12 307184702 345873232 /nfs/dbraw/zinc/87/32/32/345873232.db2.gz QSCSIVFWOAOONB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[NH3+])[C@H]2CCCC[C@@H]12 307184702 345873234 /nfs/dbraw/zinc/87/32/34/345873234.db2.gz QSCSIVFWOAOONB-VWYCJHECSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCCC12CCCC2 307188462 345875601 /nfs/dbraw/zinc/87/56/01/345875601.db2.gz BKLLZZLSMADKGR-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC12CC[NH2+]CC2 307189020 345876109 /nfs/dbraw/zinc/87/61/09/345876109.db2.gz CETRIJZWOGXDRK-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC12CC[NH2+]CC2 307189022 345876216 /nfs/dbraw/zinc/87/62/16/345876216.db2.gz CETRIJZWOGXDRK-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C 307191716 345877277 /nfs/dbraw/zinc/87/72/77/345877277.db2.gz AMMSZRPMVLMMIA-OUAUKWLOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307191717 345877337 /nfs/dbraw/zinc/87/73/37/345877337.db2.gz AMMSZRPMVLMMIA-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C 307191713 345877377 /nfs/dbraw/zinc/87/73/77/345877377.db2.gz AMMSZRPMVLMMIA-GMTAPVOTSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307191715 345877430 /nfs/dbraw/zinc/87/74/30/345877430.db2.gz AMMSZRPMVLMMIA-MXWKQRLJSA-N 2 1 184.327 1.700 10 0 ADAEMP [NH3+]C[C@@]12CCC[C@@H]1C[N@H+](C1CCC1)C2 307192656 345878296 /nfs/dbraw/zinc/87/82/96/345878296.db2.gz MDCBZOWITRTMSB-ZYHUDNBSSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@@]12CCC[C@H]1C[N@H+](C1CCC1)C2 307192653 345878427 /nfs/dbraw/zinc/87/84/27/345878427.db2.gz MDCBZOWITRTMSB-CMPLNLGQSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C1CCC1)C2 307192654 345878476 /nfs/dbraw/zinc/87/84/76/345878476.db2.gz MDCBZOWITRTMSB-JQWIXIFHSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C[C@]12CCC[C@@H]1C[N@H+](C1CCC1)C2 307192655 345878712 /nfs/dbraw/zinc/87/87/12/345878712.db2.gz MDCBZOWITRTMSB-PWSUYJOCSA-N 2 1 194.322 1.600 10 0 ADAEMP [NH3+]C1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCCC1 307204561 345888687 /nfs/dbraw/zinc/88/86/87/345888687.db2.gz GPXKVKZMMDROJL-AOOOYVTPSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C2CCC2)C[NH2+]1 307209512 345892642 /nfs/dbraw/zinc/89/26/42/345892642.db2.gz LGBNTPUBHDTXNZ-WCBMZHEXSA-N 2 1 168.284 1.269 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C2CCC2)C[NH2+]1 307209501 345892660 /nfs/dbraw/zinc/89/26/60/345892660.db2.gz LGBNTPUBHDTXNZ-PSASIEDQSA-N 2 1 168.284 1.269 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C2CCC2)C[NH2+]1 307209514 345892822 /nfs/dbraw/zinc/89/28/22/345892822.db2.gz LGBNTPUBHDTXNZ-WPRPVWTQSA-N 2 1 168.284 1.269 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C2CCC2)C[NH2+]1 307209502 345892945 /nfs/dbraw/zinc/89/29/45/345892945.db2.gz LGBNTPUBHDTXNZ-SCZZXKLOSA-N 2 1 168.284 1.269 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@@H+](CCF)[C@@H]1C 307210532 345893251 /nfs/dbraw/zinc/89/32/51/345893251.db2.gz MLLPMGZYWOTFJK-YIZRAAEISA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+](CCF)[C@@H]1C 307210532 345893254 /nfs/dbraw/zinc/89/32/54/345893254.db2.gz MLLPMGZYWOTFJK-YIZRAAEISA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@@H+](CCF)[C@@H]1C 307210524 345893278 /nfs/dbraw/zinc/89/32/78/345893278.db2.gz MLLPMGZYWOTFJK-DJLDLDEBSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+](CCF)[C@@H]1C 307210524 345893282 /nfs/dbraw/zinc/89/32/82/345893282.db2.gz MLLPMGZYWOTFJK-DJLDLDEBSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@H+]1CCF 307210520 345893363 /nfs/dbraw/zinc/89/33/63/345893363.db2.gz MLLPMGZYWOTFJK-CIUDSAMLSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]1[C@H](C)[C@@H]([NH3+])CC[N@@H+]1CCF 307210520 345893365 /nfs/dbraw/zinc/89/33/65/345893365.db2.gz MLLPMGZYWOTFJK-CIUDSAMLSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@H+]1CCF 307210528 345893475 /nfs/dbraw/zinc/89/34/75/345893475.db2.gz MLLPMGZYWOTFJK-XHNCKOQMSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@@H+]1CCF 307210528 345893477 /nfs/dbraw/zinc/89/34/77/345893477.db2.gz MLLPMGZYWOTFJK-XHNCKOQMSA-N 2 1 174.263 1.014 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1CC2CCC1CC2 307212161 345894974 /nfs/dbraw/zinc/89/49/74/345894974.db2.gz VBDKQZABLMLZPU-YVNMAJEFSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CC2CCC1CC2 307212161 345894977 /nfs/dbraw/zinc/89/49/77/345894977.db2.gz VBDKQZABLMLZPU-YVNMAJEFSA-N 2 1 182.311 1.598 10 0 ADAEMP Clc1c[nH+]ccc1NCC1C[NH2+]C1 307212200 345895198 /nfs/dbraw/zinc/89/51/98/345895198.db2.gz ORORHDBJIRDOOJ-UHFFFAOYSA-N 2 1 197.669 1.366 10 0 ADAEMP C[C@]1(C[N@H+]2C[C@H]3C[C@H]3C2)CCC[NH2+]1 307215474 345896535 /nfs/dbraw/zinc/89/65/35/345896535.db2.gz DXJYEGMFIWQRTK-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@]1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCC[NH2+]1 307215474 345896537 /nfs/dbraw/zinc/89/65/37/345896537.db2.gz DXJYEGMFIWQRTK-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 307215183 345896592 /nfs/dbraw/zinc/89/65/92/345896592.db2.gz AZTASRXGSLOEKZ-QEPQOOGFSA-N 2 1 196.338 1.881 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 307215181 345896666 /nfs/dbraw/zinc/89/66/66/345896666.db2.gz AZTASRXGSLOEKZ-JXSGWAFGSA-N 2 1 196.338 1.881 10 0 ADAEMP C[C@@]1(C[N@H+]2C[C@H]3C[C@H]3C2)CCC[NH2+]1 307215471 345896703 /nfs/dbraw/zinc/89/67/03/345896703.db2.gz DXJYEGMFIWQRTK-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@]1(C[N@@H+]2C[C@H]3C[C@H]3C2)CCC[NH2+]1 307215471 345896705 /nfs/dbraw/zinc/89/67/05/345896705.db2.gz DXJYEGMFIWQRTK-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H](N)[C@H]1C 307218768 345898777 /nfs/dbraw/zinc/89/87/77/345898777.db2.gz NPFZJQDDVVAPJY-GWOFURMSSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[C@H]1N1CCC[C@@H]([NH3+])[C@H]1C 307218768 345898778 /nfs/dbraw/zinc/89/87/78/345898778.db2.gz NPFZJQDDVVAPJY-GWOFURMSSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CC[C@H]1[N@H+]1CCC[C@@H](N)[C@H]1C 307218770 345899014 /nfs/dbraw/zinc/89/90/14/345899014.db2.gz NPFZJQDDVVAPJY-LNFKQOIKSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CC[C@H]1N1CCC[C@@H]([NH3+])[C@H]1C 307218770 345899017 /nfs/dbraw/zinc/89/90/17/345899017.db2.gz NPFZJQDDVVAPJY-LNFKQOIKSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@H+]1CCC[C@@H](N)[C@H]1C 307218772 345899101 /nfs/dbraw/zinc/89/91/01/345899101.db2.gz NPFZJQDDVVAPJY-ZDCRXTMVSA-N 2 1 182.311 1.597 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@H]2C1 307221839 345900681 /nfs/dbraw/zinc/90/06/81/345900681.db2.gz YEXQHWIAGSYNNA-IVZWLZJFSA-N 2 1 186.274 1.015 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 307221840 345900963 /nfs/dbraw/zinc/90/09/63/345900963.db2.gz YEXQHWIAGSYNNA-KXUCPTDWSA-N 2 1 186.274 1.015 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@@H]2C1 307221842 345901023 /nfs/dbraw/zinc/90/10/23/345901023.db2.gz YEXQHWIAGSYNNA-LPEHRKFASA-N 2 1 186.274 1.015 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@H]2C1 307221844 345901083 /nfs/dbraw/zinc/90/10/83/345901083.db2.gz YEXQHWIAGSYNNA-OPRDCNLKSA-N 2 1 186.274 1.015 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307222379 345901428 /nfs/dbraw/zinc/90/14/28/345901428.db2.gz QSQZOXDKXOKELE-HNJRMYHASA-N 2 1 168.284 1.064 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307222380 345901700 /nfs/dbraw/zinc/90/17/00/345901700.db2.gz QSQZOXDKXOKELE-IZJGZUANSA-N 2 1 168.284 1.064 10 0 ADAEMP CCC1C[NH+]([C@H]2C[NH2+]CC[C@@H]2C)C1 307223367 345902176 /nfs/dbraw/zinc/90/21/76/345902176.db2.gz KAYJUEYLNPSFCJ-ONGXEEELSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC1C[NH+]([C@H]2C[NH2+]CC[C@H]2C)C1 307223345 345902313 /nfs/dbraw/zinc/90/23/13/345902313.db2.gz KAYJUEYLNPSFCJ-KOLCDFICSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC1C[NH+]([C@@H]2C[NH2+]CC[C@H]2C)C1 307223356 345902321 /nfs/dbraw/zinc/90/23/21/345902321.db2.gz KAYJUEYLNPSFCJ-MWLCHTKSSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC1C[NH+]([C@@H]2C[NH2+]CC[C@@H]2C)C1 307223336 345902401 /nfs/dbraw/zinc/90/24/01/345902401.db2.gz KAYJUEYLNPSFCJ-GXSJLCMTSA-N 2 1 182.311 1.326 10 0 ADAEMP CC1=CC[N@@H+](CC2(C)C[NH2+]C2)CC1 307227743 345905215 /nfs/dbraw/zinc/90/52/15/345905215.db2.gz FQRFHLLCTNSATI-UHFFFAOYSA-N 2 1 180.295 1.248 10 0 ADAEMP C[C@@H]1C[N@H+](CC2(C)C[NH2+]C2)C[C@@H]1C 307229119 345905857 /nfs/dbraw/zinc/90/58/57/345905857.db2.gz KVYZXOJAVXFWIE-AOOOYVTPSA-N 2 1 182.311 1.184 10 0 ADAEMP C1CC([N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 307229098 345906003 /nfs/dbraw/zinc/90/60/03/345906003.db2.gz ZFDNJNJXDPKXDR-NSHDSACASA-N 2 1 180.295 1.224 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 307230037 345906903 /nfs/dbraw/zinc/90/69/03/345906903.db2.gz CXGLPPSHSCBDLT-GZTQMJOZSA-N 2 1 192.306 1.149 10 0 ADAEMP CC1(C[N@H+]2CCCC2(C)C)C[NH2+]C1 307230123 345907255 /nfs/dbraw/zinc/90/72/55/345907255.db2.gz BLQPBERGUVDLPF-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP CCc1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 307230706 345907589 /nfs/dbraw/zinc/90/75/89/345907589.db2.gz ASYYMZGVBBZLNF-NEPJUHHUSA-N 2 1 190.290 1.263 10 0 ADAEMP CCc1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])cc1 307230708 345907647 /nfs/dbraw/zinc/90/76/47/345907647.db2.gz ASYYMZGVBBZLNF-RYUDHWBXSA-N 2 1 190.290 1.263 10 0 ADAEMP CCc1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])cc1 307230707 345907871 /nfs/dbraw/zinc/90/78/71/345907871.db2.gz ASYYMZGVBBZLNF-NWDGAFQWSA-N 2 1 190.290 1.263 10 0 ADAEMP CCc1ccc([C@H]2C[NH2+]C[C@H]2[NH3+])cc1 307230709 345907878 /nfs/dbraw/zinc/90/78/78/345907878.db2.gz ASYYMZGVBBZLNF-VXGBXAGGSA-N 2 1 190.290 1.263 10 0 ADAEMP 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CCC[N@H+]1C[C@@H]([NH3+])[C@H](CC)C1 307364136 345996406 /nfs/dbraw/zinc/99/64/06/345996406.db2.gz JZOYJOMSBMJFDS-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+]1C[C@H]([NH3+])[C@H](CC)C1 307364133 345996449 /nfs/dbraw/zinc/99/64/49/345996449.db2.gz JZOYJOMSBMJFDS-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1([C@@H]([NH3+])C[NH3+])CCCCC1 307367750 345998467 /nfs/dbraw/zinc/99/84/67/345998467.db2.gz PGJVQFDVQZDQFV-QMMMGPOBSA-N 2 1 156.273 1.243 10 0 ADAEMP CC1([C@H]([NH3+])C[NH3+])CCCCC1 307367749 345998681 /nfs/dbraw/zinc/99/86/81/345998681.db2.gz PGJVQFDVQZDQFV-MRVPVSSYSA-N 2 1 156.273 1.243 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@H]1C 307369978 345999489 /nfs/dbraw/zinc/99/94/89/345999489.db2.gz OYRMJWSVIXSGOV-VPOLOUISSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C 307369977 345999643 /nfs/dbraw/zinc/99/96/43/345999643.db2.gz OYRMJWSVIXSGOV-RCWTZXSCSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 307369976 345999914 /nfs/dbraw/zinc/99/99/14/345999914.db2.gz OYRMJWSVIXSGOV-CHWFTXMASA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C 307369979 345999833 /nfs/dbraw/zinc/99/98/33/345999833.db2.gz OYRMJWSVIXSGOV-ZNSHCXBVSA-N 2 1 182.311 1.515 10 0 ADAEMP CC1(C)[C@H]2C[N@@H+](CCC3([NH3+])CC3)C[C@H]21 307370393 346000195 /nfs/dbraw/zinc/00/01/95/346000195.db2.gz PIYWMYMADCMXLO-AOOOYVTPSA-N 2 1 194.322 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@]12CCC[C@H]1C[NH2+]C2 307370676 346000295 /nfs/dbraw/zinc/00/02/95/346000295.db2.gz PDSVOFNIKKDSRZ-GRYCIOLGSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@]12CCC[C@@H]1C[NH2+]C2 307370678 346000333 /nfs/dbraw/zinc/00/03/33/346000333.db2.gz PDSVOFNIKKDSRZ-IJLUTSLNSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@]12CCC[C@H]1C[NH2+]C2 307370681 346000420 /nfs/dbraw/zinc/00/04/20/346000420.db2.gz PDSVOFNIKKDSRZ-WOPDTQHZSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@]12CCC[C@@H]1C[NH2+]C2 307370680 346000519 /nfs/dbraw/zinc/00/05/19/346000519.db2.gz PDSVOFNIKKDSRZ-UTUOFQBUSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CC(C)(C)C2)C1 307373357 346001889 /nfs/dbraw/zinc/00/18/89/346001889.db2.gz WHPYZOWJKOOLFP-VIFPVBQESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CC(C)(C)C2)C1 307373357 346001892 /nfs/dbraw/zinc/00/18/92/346001892.db2.gz WHPYZOWJKOOLFP-VIFPVBQESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C2CC(C)(C)C2)C1 307373356 346002092 /nfs/dbraw/zinc/00/20/92/346002092.db2.gz WHPYZOWJKOOLFP-SECBINFHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C2CC(C)(C)C2)C1 307373356 346002095 /nfs/dbraw/zinc/00/20/95/346002095.db2.gz WHPYZOWJKOOLFP-SECBINFHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(=[NH2+])N[C@H]1CC[N@H+](C(C)C)C1 307374940 346003189 /nfs/dbraw/zinc/00/31/89/346003189.db2.gz UQAYFFKLKVAULH-VIFPVBQESA-N 2 1 169.272 1.056 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@H+](C(C)C)C1 307374938 346003386 /nfs/dbraw/zinc/00/33/86/346003386.db2.gz UQAYFFKLKVAULH-SECBINFHSA-N 2 1 169.272 1.056 10 0 ADAEMP C[C@H]1C[N@@H+](C2CC([NH3+])C2)C(C)(C)C1 307377767 346004096 /nfs/dbraw/zinc/00/40/96/346004096.db2.gz CLIQDKSXEZPAFP-XNWIYYODSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)C(C)(C)C1 307377764 346004342 /nfs/dbraw/zinc/00/43/42/346004342.db2.gz CLIQDKSXEZPAFP-IDKOKCKLSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H]1C[C@@H](C)C[N@H+]1C1CC([NH3+])C1 307382328 346006722 /nfs/dbraw/zinc/00/67/22/346006722.db2.gz BMNOTTLXJCNAGF-VKAADOFISA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H]1C[C@H](C)C[N@H+]1C1CC([NH3+])C1 307382330 346006736 /nfs/dbraw/zinc/00/67/36/346006736.db2.gz BMNOTTLXJCNAGF-XEAZBWPWSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1C[C@@H](C)C[N@H+]1C1CC([NH3+])C1 307382324 346006962 /nfs/dbraw/zinc/00/69/62/346006962.db2.gz BMNOTTLXJCNAGF-BZCXBAJXSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1C[C@H](C)C[N@H+]1C1CC([NH3+])C1 307382326 346007077 /nfs/dbraw/zinc/00/70/77/346007077.db2.gz BMNOTTLXJCNAGF-QPBDYMMBSA-N 2 1 182.311 1.597 10 0 ADAEMP C[N@H+](CC[NH3+])C1CC(C)(C)C1 307383706 346008137 /nfs/dbraw/zinc/00/81/37/346008137.db2.gz ISGOZIKMXZALLB-UHFFFAOYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@@H+](CC[NH3+])C1CC(C)(C)C1 307383706 346008140 /nfs/dbraw/zinc/00/81/40/346008140.db2.gz ISGOZIKMXZALLB-UHFFFAOYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 307388122 346010508 /nfs/dbraw/zinc/01/05/08/346010508.db2.gz NNRLTHLKBYIOBS-XHNCKOQMSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]([NH3+])C[C@@H]1C 307388122 346010512 /nfs/dbraw/zinc/01/05/12/346010512.db2.gz NNRLTHLKBYIOBS-XHNCKOQMSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H]([NH3+])C[C@H]1C 307388021 346010644 /nfs/dbraw/zinc/01/06/44/346010644.db2.gz NNRLTHLKBYIOBS-DJLDLDEBSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]([NH3+])C[C@H]1C 307388021 346010647 /nfs/dbraw/zinc/01/06/47/346010647.db2.gz NNRLTHLKBYIOBS-DJLDLDEBSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 307388020 346010905 /nfs/dbraw/zinc/01/09/05/346010905.db2.gz NNRLTHLKBYIOBS-CIUDSAMLSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 307388020 346010906 /nfs/dbraw/zinc/01/09/06/346010906.db2.gz NNRLTHLKBYIOBS-CIUDSAMLSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2C[NH2+]C2)C(C)(C)C1 307391378 346012480 /nfs/dbraw/zinc/01/24/80/346012480.db2.gz WBNBEFUJJHATRN-VIFPVBQESA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[N@@H+](CC2C[NH2+]C2)C(C)(C)C1 307391377 346012535 /nfs/dbraw/zinc/01/25/35/346012535.db2.gz WBNBEFUJJHATRN-SECBINFHSA-N 2 1 182.311 1.326 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C 307395763 346015105 /nfs/dbraw/zinc/01/51/05/346015105.db2.gz NXIFFHIZJOMVCA-OKWQPMOJSA-N 2 1 168.284 1.374 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H]([NH3+])[C@H]1C 307395763 346015107 /nfs/dbraw/zinc/01/51/07/346015107.db2.gz NXIFFHIZJOMVCA-OKWQPMOJSA-N 2 1 168.284 1.374 10 0 ADAEMP C/C=C/C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C 307395762 346015142 /nfs/dbraw/zinc/01/51/42/346015142.db2.gz NXIFFHIZJOMVCA-OHINUGQQSA-N 2 1 168.284 1.374 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C 307395762 346015144 /nfs/dbraw/zinc/01/51/44/346015144.db2.gz NXIFFHIZJOMVCA-OHINUGQQSA-N 2 1 168.284 1.374 10 0 ADAEMP C/C=C/C[N@H+]1CCC[C@@H]([NH3+])[C@@H]1C 307395761 346015404 /nfs/dbraw/zinc/01/54/04/346015404.db2.gz NXIFFHIZJOMVCA-FCVPOFOPSA-N 2 1 168.284 1.374 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CCC3(CC3)C2)C1 307396313 346015729 /nfs/dbraw/zinc/01/57/29/346015729.db2.gz QZNTZLREQHIPTH-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CCC3(CC3)C2)C1 307396313 346015731 /nfs/dbraw/zinc/01/57/31/346015731.db2.gz QZNTZLREQHIPTH-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@@H+]2CCC3(CC3)C2)C1 307396312 346015748 /nfs/dbraw/zinc/01/57/48/346015748.db2.gz QZNTZLREQHIPTH-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@H+]2CCC3(CC3)C2)C1 307396312 346015752 /nfs/dbraw/zinc/01/57/52/346015752.db2.gz QZNTZLREQHIPTH-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C[Si](C)(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 307403481 346021371 /nfs/dbraw/zinc/02/13/71/346021371.db2.gz DSONMMQQBIGEHA-AOOOYVTPSA-N 2 1 198.386 1.015 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 307407447 346023579 /nfs/dbraw/zinc/02/35/79/346023579.db2.gz DPASTJJKTRWVFL-HBIQZDMRSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 307407447 346023581 /nfs/dbraw/zinc/02/35/81/346023581.db2.gz DPASTJJKTRWVFL-HBIQZDMRSA-N 2 1 194.322 1.611 10 0 ADAEMP CC1CC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307406474 346023812 /nfs/dbraw/zinc/02/38/12/346023812.db2.gz MPZBPVDHQKIEQU-DJRKXVOMSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 307407455 346024132 /nfs/dbraw/zinc/02/41/32/346024132.db2.gz DPASTJJKTRWVFL-YYJSSNLHSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 307407455 346024134 /nfs/dbraw/zinc/02/41/34/346024134.db2.gz DPASTJJKTRWVFL-YYJSSNLHSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 307407452 346024266 /nfs/dbraw/zinc/02/42/66/346024266.db2.gz DPASTJJKTRWVFL-XKGSQUFQSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1C[C@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 307407452 346024271 /nfs/dbraw/zinc/02/42/71/346024271.db2.gz DPASTJJKTRWVFL-XKGSQUFQSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+]2CC3CCC2CC3)C[NH2+]1 307407450 346024457 /nfs/dbraw/zinc/02/44/57/346024457.db2.gz DPASTJJKTRWVFL-WNYYMSAVSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CC3CCC2CC3)C[NH2+]1 307407450 346024462 /nfs/dbraw/zinc/02/44/62/346024462.db2.gz DPASTJJKTRWVFL-WNYYMSAVSA-N 2 1 194.322 1.611 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CCC[C@@H]2[NH3+])C1 307408749 346024688 /nfs/dbraw/zinc/02/46/88/346024688.db2.gz DJQKVTNRWLBFCN-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CCC[C@@H]2[NH3+])C1 307408747 346024725 /nfs/dbraw/zinc/02/47/25/346024725.db2.gz DJQKVTNRWLBFCN-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@@]2(CCC[C@H]2[NH3+])C1 307408745 346024806 /nfs/dbraw/zinc/02/48/06/346024806.db2.gz DJQKVTNRWLBFCN-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@H+]1CC[C@]2(CCC[C@H]2[NH3+])C1 307408743 346024887 /nfs/dbraw/zinc/02/48/87/346024887.db2.gz DJQKVTNRWLBFCN-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[C@H]([NH3+])CC1 307409316 346025524 /nfs/dbraw/zinc/02/55/24/346025524.db2.gz FWISNAGWFDJNEP-MGCOHNPYSA-N 2 1 179.267 1.634 10 0 ADAEMP CC[C@H]1CC[C@H](C)[N@H+](C2CC([NH3+])C2)C1 307419269 346031144 /nfs/dbraw/zinc/03/11/44/346031144.db2.gz XZAWJCWTONOWCD-JYBOHDQNSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H]1CC[C@@H](C)[N@H+](C2CC([NH3+])C2)C1 307419271 346031149 /nfs/dbraw/zinc/03/11/49/346031149.db2.gz XZAWJCWTONOWCD-QYNFOATHSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@H]1CC[C@@H](C)[N@H+](C2CC([NH3+])C2)C1 307419270 346031241 /nfs/dbraw/zinc/03/12/41/346031241.db2.gz XZAWJCWTONOWCD-QKEWWQLBSA-N 2 1 196.338 1.987 10 0 ADAEMP C1CCC([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307431726 346036239 /nfs/dbraw/zinc/03/62/39/346036239.db2.gz XGRRLHPMEBOXBX-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H]([NH3+])CN1CCCCCCCC1 307432467 346036848 /nfs/dbraw/zinc/03/68/48/346036848.db2.gz ZLPLSHLOTQYWLI-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP FCCn1c[nH+]cc1C1CC[NH2+]CC1 307433534 346037356 /nfs/dbraw/zinc/03/73/56/346037356.db2.gz ZXVLIGOCLUYIIX-UHFFFAOYSA-N 2 1 197.257 1.320 10 0 ADAEMP Cc1cc(NC(C)C)cc(C[NH3+])[nH+]1 307435042 346038738 /nfs/dbraw/zinc/03/87/38/346038738.db2.gz NECRKKCCVLNHPI-UHFFFAOYSA-N 2 1 179.267 1.669 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCF)C[C@@H]12 307435825 346039037 /nfs/dbraw/zinc/03/90/37/346039037.db2.gz SIJCBOHBJACVCE-IVZWLZJFSA-N 2 1 186.274 1.015 10 0 ADAEMP C[C@H]([C@H]1CCC[NH2+]1)[N@H+]1C[C@H]2C[C@H]2C1 307436290 346039068 /nfs/dbraw/zinc/03/90/68/346039068.db2.gz SWEXHLBVTCZDLS-CHWFTXMASA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@H]([C@H]1CCC[NH2+]1)[N@@H+]1C[C@H]2C[C@H]2C1 307436290 346039070 /nfs/dbraw/zinc/03/90/70/346039070.db2.gz SWEXHLBVTCZDLS-CHWFTXMASA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307436519 346039155 /nfs/dbraw/zinc/03/91/55/346039155.db2.gz UBJLSIUTNQNRTQ-GKDVJIACSA-N 2 1 182.311 1.310 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCF)C[C@H]12 307435832 346039182 /nfs/dbraw/zinc/03/91/82/346039182.db2.gz SIJCBOHBJACVCE-LPEHRKFASA-N 2 1 186.274 1.015 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCF)C[C@H]21 307435836 346039215 /nfs/dbraw/zinc/03/92/15/346039215.db2.gz SIJCBOHBJACVCE-OPRDCNLKSA-N 2 1 186.274 1.015 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1C[C@H]2C[C@H]2C1 307436295 346039246 /nfs/dbraw/zinc/03/92/46/346039246.db2.gz SWEXHLBVTCZDLS-ZNSHCXBVSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1C[C@H]2C[C@H]2C1 307436295 346039248 /nfs/dbraw/zinc/03/92/48/346039248.db2.gz SWEXHLBVTCZDLS-ZNSHCXBVSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307436521 346039306 /nfs/dbraw/zinc/03/93/06/346039306.db2.gz UBJLSIUTNQNRTQ-NFLHVTIKSA-N 2 1 182.311 1.310 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1C1CC[NH2+]CC1 307438735 346040545 /nfs/dbraw/zinc/04/05/45/346040545.db2.gz UHEKIERCKSYILY-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)[C@H]1C 307438733 346040633 /nfs/dbraw/zinc/04/06/33/346040633.db2.gz UHEKIERCKSYILY-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC[C@@H]3CCC[C@H]32)C1 307438883 346040740 /nfs/dbraw/zinc/04/07/40/346040740.db2.gz MWFUGFNMGNPGQD-IDWGSYCQSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC[C@H]3CCC[C@@H]32)C1 307438885 346040788 /nfs/dbraw/zinc/04/07/88/346040788.db2.gz MWFUGFNMGNPGQD-SFXRXQKFSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@H]1CC[N@H+](C2CC[NH2+]CC2)[C@@H]1C 307438734 346040850 /nfs/dbraw/zinc/04/08/50/346040850.db2.gz UHEKIERCKSYILY-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC[C@@H]3CCC[C@@H]32)C1 307438884 346040860 /nfs/dbraw/zinc/04/08/60/346040860.db2.gz MWFUGFNMGNPGQD-PMUOWJKOSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)[C@@H]1C 307438732 346040918 /nfs/dbraw/zinc/04/09/18/346040918.db2.gz UHEKIERCKSYILY-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC[C@H]3CCC[C@H]32)C1 307438882 346040938 /nfs/dbraw/zinc/04/09/38/346040938.db2.gz MWFUGFNMGNPGQD-AGVGLQIMSA-N 2 1 180.295 1.351 10 0 ADAEMP CCC1C[NH+]([C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1 307446199 346044888 /nfs/dbraw/zinc/04/48/88/346044888.db2.gz WGFCCYPLBHWOMB-JBLDHEPKSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC1C[NH+]([C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1 307446197 346045091 /nfs/dbraw/zinc/04/50/91/346045091.db2.gz WGFCCYPLBHWOMB-CKYFFXLPSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC1C[NH+]([C@@H]2[C@@H](C)CC[NH2+][C@@H]2C)C1 307446198 346045180 /nfs/dbraw/zinc/04/51/80/346045180.db2.gz WGFCCYPLBHWOMB-HOSYDEDBSA-N 2 1 196.338 1.715 10 0 ADAEMP CCC1C[NH+]([C@H]2[C@H](C)[NH2+]CC[C@H]2C)C1 307446200 346045189 /nfs/dbraw/zinc/04/51/89/346045189.db2.gz WGFCCYPLBHWOMB-JFGNBEQYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[C@H](N)C[N@H+]1CC1CCC1 307449466 346046983 /nfs/dbraw/zinc/04/69/83/346046983.db2.gz BCJUUIWRLFMDQI-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@H]([NH3+])CN1CC1CCC1 307449466 346046984 /nfs/dbraw/zinc/04/69/84/346046984.db2.gz BCJUUIWRLFMDQI-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@@H](N)C[N@H+]1CC1CCC1 307449468 346047093 /nfs/dbraw/zinc/04/70/93/346047093.db2.gz BCJUUIWRLFMDQI-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH3+])CN1CC1CCC1 307449468 346047096 /nfs/dbraw/zinc/04/70/96/346047096.db2.gz BCJUUIWRLFMDQI-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@H](N)C[N@H+]1CC1CCC1 307449470 346047108 /nfs/dbraw/zinc/04/71/08/346047108.db2.gz BCJUUIWRLFMDQI-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@H]([NH3+])CN1CC1CCC1 307449470 346047109 /nfs/dbraw/zinc/04/71/09/346047109.db2.gz BCJUUIWRLFMDQI-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H](N)C[N@H+]1CC1CCC1 307449465 346047246 /nfs/dbraw/zinc/04/72/46/346047246.db2.gz BCJUUIWRLFMDQI-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H]([NH3+])CN1CC1CCC1 307449465 346047247 /nfs/dbraw/zinc/04/72/47/346047247.db2.gz BCJUUIWRLFMDQI-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@H]1C 307451454 346048079 /nfs/dbraw/zinc/04/80/79/346048079.db2.gz SGHLSZMWGNSOLC-RKDXNWHRSA-N 2 1 156.273 1.112 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@H]1C 307451451 346048194 /nfs/dbraw/zinc/04/81/94/346048194.db2.gz SGHLSZMWGNSOLC-BDAKNGLRSA-N 2 1 156.273 1.112 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CC[C@@H]1C 307451452 346048220 /nfs/dbraw/zinc/04/82/20/346048220.db2.gz SGHLSZMWGNSOLC-DTWKUNHWSA-N 2 1 156.273 1.112 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CC[C@@H]1C 307451453 346048324 /nfs/dbraw/zinc/04/83/24/346048324.db2.gz SGHLSZMWGNSOLC-IUCAKERBSA-N 2 1 156.273 1.112 10 0 ADAEMP C1CCC2(C1)C[NH+](CC1C[NH2+]C1)C2 307457323 346052058 /nfs/dbraw/zinc/05/20/58/346052058.db2.gz FSMWJARBTBHIIX-UHFFFAOYSA-N 2 1 180.295 1.082 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[C@@H]([NH3+])C1 307458075 346052553 /nfs/dbraw/zinc/05/25/53/346052553.db2.gz BUYUULUNKNINLZ-WRWGMCAJSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@@H+]1[C@@H]1CCC[C@H]([NH3+])C1 307458052 346052681 /nfs/dbraw/zinc/05/26/81/346052681.db2.gz BUYUULUNKNINLZ-NOOOWODRSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1C 307458064 346052832 /nfs/dbraw/zinc/05/28/32/346052832.db2.gz BUYUULUNKNINLZ-WISYIIOYSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1C 307458043 346052954 /nfs/dbraw/zinc/05/29/54/346052954.db2.gz BUYUULUNKNINLZ-DDHJBXDOSA-N 2 1 196.338 1.987 10 0 ADAEMP CC(C)C1([N@H+]2CC[C@H](N)C2)CC1 307472566 346060960 /nfs/dbraw/zinc/06/09/60/346060960.db2.gz ZSEOSBNZCJCVRH-VIFPVBQESA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)C1([N@H+]2CC[C@H]([NH3+])C2)CC1 307472566 346060965 /nfs/dbraw/zinc/06/09/65/346060965.db2.gz ZSEOSBNZCJCVRH-VIFPVBQESA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)C1([N@H+]2CC[C@@H](N)C2)CC1 307472564 346061062 /nfs/dbraw/zinc/06/10/62/346061062.db2.gz ZSEOSBNZCJCVRH-SECBINFHSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)C1([N@H+]2CC[C@@H]([NH3+])C2)CC1 307472564 346061066 /nfs/dbraw/zinc/06/10/66/346061066.db2.gz ZSEOSBNZCJCVRH-SECBINFHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]([NH3+])C1 307474027 346062075 /nfs/dbraw/zinc/06/20/75/346062075.db2.gz ITYBLCFAIYOFDW-OPRDCNLKSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCC[C@@H]([NH3+])C1 307474025 346062157 /nfs/dbraw/zinc/06/21/57/346062157.db2.gz ITYBLCFAIYOFDW-BBBLOLIVSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@H]([NH3+])C1 307474026 346062185 /nfs/dbraw/zinc/06/21/85/346062185.db2.gz ITYBLCFAIYOFDW-KXUCPTDWSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CCC[C@H]([NH3+])C1 307474028 346062239 /nfs/dbraw/zinc/06/22/39/346062239.db2.gz ITYBLCFAIYOFDW-UTLUCORTSA-N 2 1 168.284 1.351 10 0 ADAEMP C/C=C/C[N@@H+]1CC[NH2+]C[C@@H](C)C1 307476156 346063674 /nfs/dbraw/zinc/06/36/74/346063674.db2.gz LDDWVAGXJCCCLP-HMDXOVGESA-N 2 1 168.284 1.104 10 0 ADAEMP C/C=C/C[N@H+]1CC[NH2+]C[C@@H](C)C1 307476156 346063677 /nfs/dbraw/zinc/06/36/77/346063677.db2.gz LDDWVAGXJCCCLP-HMDXOVGESA-N 2 1 168.284 1.104 10 0 ADAEMP C/C=C/C[N@@H+]1CC[NH2+]C[C@H](C)C1 307476154 346063861 /nfs/dbraw/zinc/06/38/61/346063861.db2.gz LDDWVAGXJCCCLP-FSIBCCDJSA-N 2 1 168.284 1.104 10 0 ADAEMP C/C=C/C[N@H+]1CC[NH2+]C[C@H](C)C1 307476154 346063862 /nfs/dbraw/zinc/06/38/62/346063862.db2.gz LDDWVAGXJCCCLP-FSIBCCDJSA-N 2 1 168.284 1.104 10 0 ADAEMP CC1(C)CCC[C@]1(C[NH3+])[NH+]1CCC1 307478347 346064758 /nfs/dbraw/zinc/06/47/58/346064758.db2.gz VZIQYWAMCYBSOX-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP CC1(C)CCC[C@@]1(C[NH3+])[NH+]1CCC1 307478348 346064904 /nfs/dbraw/zinc/06/49/04/346064904.db2.gz VZIQYWAMCYBSOX-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP CCC1([N@H+]2CCCN[C@H](C)C2)CC1 307479799 346065744 /nfs/dbraw/zinc/06/57/44/346065744.db2.gz OJOUREXDIZIROS-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC1(N2CCC[NH2+][C@H](C)C2)CC1 307479799 346065746 /nfs/dbraw/zinc/06/57/46/346065746.db2.gz OJOUREXDIZIROS-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CCC1([N@H+]2CCCN[C@@H](C)C2)CC1 307479796 346065780 /nfs/dbraw/zinc/06/57/80/346065780.db2.gz OJOUREXDIZIROS-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CCC1(N2CCC[NH2+][C@@H](C)C2)CC1 307479796 346065781 /nfs/dbraw/zinc/06/57/81/346065781.db2.gz OJOUREXDIZIROS-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1C[NH2+]CC[C@H]1C 307482581 346066897 /nfs/dbraw/zinc/06/68/97/346066897.db2.gz YZLWVEUWCFOLIC-SCZZXKLOSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1C[NH2+]CC[C@H]1C 307482580 346066913 /nfs/dbraw/zinc/06/69/13/346066913.db2.gz YZLWVEUWCFOLIC-PSASIEDQSA-N 2 1 179.267 1.362 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1C[NH2+]CC[C@@H]1C 307482582 346067311 /nfs/dbraw/zinc/06/73/11/346067311.db2.gz YZLWVEUWCFOLIC-WCBMZHEXSA-N 2 1 179.267 1.362 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCC2)C[C@@]1(C)C[NH3+] 307487794 346070105 /nfs/dbraw/zinc/07/01/05/346070105.db2.gz OESPEJBIVUUMJG-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[N@H+](C2CCC2)C[C@@]1(C)C[NH3+] 307487792 346070183 /nfs/dbraw/zinc/07/01/83/346070183.db2.gz OESPEJBIVUUMJG-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCC2)C[C@]1(C)C[NH3+] 307487793 346070217 /nfs/dbraw/zinc/07/02/17/346070217.db2.gz OESPEJBIVUUMJG-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[N@H+](C2CCC2)C[C@]1(C)C[NH3+] 307487795 346070236 /nfs/dbraw/zinc/07/02/36/346070236.db2.gz OESPEJBIVUUMJG-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC([N@@H+]2CC[C@@H]([NH3+])C2)C1 307490853 346071817 /nfs/dbraw/zinc/07/18/17/346071817.db2.gz AQCFELIWHBKLMG-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC([N@H+]2CC[C@@H]([NH3+])C2)C1 307490853 346071818 /nfs/dbraw/zinc/07/18/18/346071818.db2.gz AQCFELIWHBKLMG-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC([N@H+]2CC[C@H]([NH3+])C2)C1 307490854 346071894 /nfs/dbraw/zinc/07/18/94/346071894.db2.gz AQCFELIWHBKLMG-QMMMGPOBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 307493940 346073442 /nfs/dbraw/zinc/07/34/42/346073442.db2.gz IHSFMLQXQNHMHC-WISYIIOYSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 307493942 346073463 /nfs/dbraw/zinc/07/34/63/346073463.db2.gz IHSFMLQXQNHMHC-WRWGMCAJSA-N 2 1 194.322 1.611 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 307493939 346073476 /nfs/dbraw/zinc/07/34/76/346073476.db2.gz IHSFMLQXQNHMHC-NOOOWODRSA-N 2 1 194.322 1.611 10 0 ADAEMP CC[N@H+](C)[C@@H]1C[NH2+][C@@H](C)[C@@H](C)C1 307494501 346073976 /nfs/dbraw/zinc/07/39/76/346073976.db2.gz LMEDUTQHRHKLNG-GUBZILKMSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[NH2+][C@@H](C)[C@@H](C)C1 307494501 346073979 /nfs/dbraw/zinc/07/39/79/346073979.db2.gz LMEDUTQHRHKLNG-GUBZILKMSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@H+](C)[C@@H]1C[NH2+][C@H](C)[C@@H](C)C1 307494499 346074026 /nfs/dbraw/zinc/07/40/26/346074026.db2.gz LMEDUTQHRHKLNG-AEJSXWLSSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[NH2+][C@H](C)[C@@H](C)C1 307494499 346074030 /nfs/dbraw/zinc/07/40/30/346074030.db2.gz LMEDUTQHRHKLNG-AEJSXWLSSA-N 2 1 170.300 1.325 10 0 ADAEMP Cc1cc[nH+]c(C)c1N[C@H](C)C[NH3+] 307494513 346074087 /nfs/dbraw/zinc/07/40/87/346074087.db2.gz LMPBACQBGGDCCW-MRVPVSSYSA-N 2 1 179.267 1.458 10 0 ADAEMP Cc1cc[nH+]c(C)c1N[C@@H](C)C[NH3+] 307494515 346074107 /nfs/dbraw/zinc/07/41/07/346074107.db2.gz LMPBACQBGGDCCW-QMMMGPOBSA-N 2 1 179.267 1.458 10 0 ADAEMP CC[N@H+](C)[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 307494500 346074240 /nfs/dbraw/zinc/07/42/40/346074240.db2.gz LMEDUTQHRHKLNG-BBBLOLIVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[NH2+][C@H](C)[C@H](C)C1 307494500 346074242 /nfs/dbraw/zinc/07/42/42/346074242.db2.gz LMEDUTQHRHKLNG-BBBLOLIVSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@H+](C)[C@@H]1C[NH2+][C@@H](C)[C@H](C)C1 307494503 346074267 /nfs/dbraw/zinc/07/42/67/346074267.db2.gz LMEDUTQHRHKLNG-UTLUCORTSA-N 2 1 170.300 1.325 10 0 ADAEMP CC[N@@H+](C)[C@@H]1C[NH2+][C@@H](C)[C@H](C)C1 307494503 346074268 /nfs/dbraw/zinc/07/42/68/346074268.db2.gz LMEDUTQHRHKLNG-UTLUCORTSA-N 2 1 170.300 1.325 10 0 ADAEMP C1CC2(C1)CC[N@@H+]([C@@H]1CC[NH2+]C1)C2 307495467 346074628 /nfs/dbraw/zinc/07/46/28/346074628.db2.gz IKSSKKLTOHZIPT-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC2(C1)CC[N@H+]([C@@H]1CC[NH2+]C1)C2 307495467 346074629 /nfs/dbraw/zinc/07/46/29/346074629.db2.gz IKSSKKLTOHZIPT-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC([N@H+]2CCC3(CC3)C2)CC[NH2+]1 307495947 346074678 /nfs/dbraw/zinc/07/46/78/346074678.db2.gz JUOLTEJHSZVQEC-UHFFFAOYSA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC2(C1)CC[N@@H+]([C@H]1CC[NH2+]C1)C2 307495465 346074734 /nfs/dbraw/zinc/07/47/34/346074734.db2.gz IKSSKKLTOHZIPT-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C1CC2(C1)CC[N@H+]([C@H]1CC[NH2+]C1)C2 307495465 346074737 /nfs/dbraw/zinc/07/47/37/346074737.db2.gz IKSSKKLTOHZIPT-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@@H]1CNCCC[N@H+]1CC1CCC1 307498926 346075832 /nfs/dbraw/zinc/07/58/32/346075832.db2.gz GXUHTZWCPMYSOZ-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H]1C[N@@H+](CCC[NH3+])C(C)(C)C1 307498324 346075889 /nfs/dbraw/zinc/07/58/89/346075889.db2.gz KEMJTCNAHBQMCM-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1CNCCC[N@H+]1CC1CCC1 307498925 346076077 /nfs/dbraw/zinc/07/60/77/346076077.db2.gz GXUHTZWCPMYSOZ-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 307507017 346080490 /nfs/dbraw/zinc/08/04/90/346080490.db2.gz RVLFWYDNGWQXTG-ZCZLBPHLSA-N 2 1 180.295 1.064 10 0 ADAEMP C[C@H]([C@H]1CC1(C)C)[N@@H+]1CC[C@H]([NH3+])C1 307513202 346083866 /nfs/dbraw/zinc/08/38/66/346083866.db2.gz YQYHMTCHLVSKRI-KXUCPTDWSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@H]1CC1(C)C)[N@H+]1CC[C@H]([NH3+])C1 307513202 346083868 /nfs/dbraw/zinc/08/38/68/346083868.db2.gz YQYHMTCHLVSKRI-KXUCPTDWSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@H]1CC1(C)C)[N@@H+]1CC[C@@H]([NH3+])C1 307513208 346084063 /nfs/dbraw/zinc/08/40/63/346084063.db2.gz YQYHMTCHLVSKRI-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@H]1CC1(C)C)[N@H+]1CC[C@@H]([NH3+])C1 307513208 346084065 /nfs/dbraw/zinc/08/40/65/346084065.db2.gz YQYHMTCHLVSKRI-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@@H]1CC1(C)C)[N@@H+]1CC[C@@H]([NH3+])C1 307513196 346084267 /nfs/dbraw/zinc/08/42/67/346084267.db2.gz YQYHMTCHLVSKRI-BBBLOLIVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@@H]1CC1(C)C)[N@@H+]1CC[C@H]([NH3+])C1 307513215 346084122 /nfs/dbraw/zinc/08/41/22/346084122.db2.gz YQYHMTCHLVSKRI-UTLUCORTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@@H]1CC1(C)C)[N@H+]1CC[C@H]([NH3+])C1 307513215 346084124 /nfs/dbraw/zinc/08/41/24/346084124.db2.gz YQYHMTCHLVSKRI-UTLUCORTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]([C@@H]1CC1(C)C)[N@H+]1CC[C@@H]([NH3+])C1 307513196 346084269 /nfs/dbraw/zinc/08/42/69/346084269.db2.gz YQYHMTCHLVSKRI-BBBLOLIVSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)CCC([C@H]([NH3+])C[NH3+])CC1 307514455 346084614 /nfs/dbraw/zinc/08/46/14/346084614.db2.gz ONKPVCMQFLEUPI-SECBINFHSA-N 2 1 170.300 1.489 10 0 ADAEMP CC1(C)CCC([C@@H]([NH3+])C[NH3+])CC1 307514456 346084661 /nfs/dbraw/zinc/08/46/61/346084661.db2.gz ONKPVCMQFLEUPI-VIFPVBQESA-N 2 1 170.300 1.489 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@@H+](C)C(C)(C)C 307518626 346087852 /nfs/dbraw/zinc/08/78/52/346087852.db2.gz VFZZYFHMZXLCAP-VHSXEESVSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+](C)C(C)(C)C 307518622 346087918 /nfs/dbraw/zinc/08/79/18/346087918.db2.gz VFZZYFHMZXLCAP-NXEZZACHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C(C)(C)C 307518627 346087981 /nfs/dbraw/zinc/08/79/81/346087981.db2.gz VFZZYFHMZXLCAP-ZJUUUORDSA-N 2 1 184.327 1.715 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@@H+](C)C(C)(C)C 307518624 346087992 /nfs/dbraw/zinc/08/79/92/346087992.db2.gz VFZZYFHMZXLCAP-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307521629 346089586 /nfs/dbraw/zinc/08/95/86/346089586.db2.gz WAQBPYBKSYSZFO-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307521631 346089621 /nfs/dbraw/zinc/08/96/21/346089621.db2.gz WAQBPYBKSYSZFO-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307521627 346089648 /nfs/dbraw/zinc/08/96/48/346089648.db2.gz WAQBPYBKSYSZFO-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307521633 346089693 /nfs/dbraw/zinc/08/96/93/346089693.db2.gz WAQBPYBKSYSZFO-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)=C[C@@H]([NH3+])C[NH+]1CCCC1 307523333 346090347 /nfs/dbraw/zinc/09/03/47/346090347.db2.gz DCEJRQQHADSQRE-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([NH2+]CCF)CC1 307523267 346090395 /nfs/dbraw/zinc/09/03/95/346090395.db2.gz CYULTSOKGCIPRP-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[N@H+]1CCC[C@@H]([NH2+]CCF)CC1 307523267 346090397 /nfs/dbraw/zinc/09/03/97/346090397.db2.gz CYULTSOKGCIPRP-SECBINFHSA-N 2 1 174.263 1.030 10 0 ADAEMP C[N@@H+]1CCC[C@H]([NH2+]CCF)CC1 307523269 346090432 /nfs/dbraw/zinc/09/04/32/346090432.db2.gz CYULTSOKGCIPRP-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C[N@H+]1CCC[C@H]([NH2+]CCF)CC1 307523269 346090433 /nfs/dbraw/zinc/09/04/33/346090433.db2.gz CYULTSOKGCIPRP-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP CC(C)=C[C@H]([NH3+])C[NH+]1CCCC1 307523331 346090543 /nfs/dbraw/zinc/09/05/43/346090543.db2.gz DCEJRQQHADSQRE-JTQLQIEISA-N 2 1 168.284 1.376 10 0 ADAEMP C[C@@H]([NH3+])[C@@](C)(F)c1c[nH+]ccc1N 307528130 346093051 /nfs/dbraw/zinc/09/30/51/346093051.db2.gz KTLQREHVSQLNIA-HZGVNTEJSA-N 2 1 183.230 1.196 10 0 ADAEMP C[C@@H]([NH3+])[C@](C)(F)c1c[nH+]ccc1N 307528140 346093109 /nfs/dbraw/zinc/09/31/09/346093109.db2.gz KTLQREHVSQLNIA-MUWHJKNJSA-N 2 1 183.230 1.196 10 0 ADAEMP C[C@H]([NH3+])[C@](C)(F)c1c[nH+]ccc1N 307528145 346093129 /nfs/dbraw/zinc/09/31/29/346093129.db2.gz KTLQREHVSQLNIA-RCOVLWMOSA-N 2 1 183.230 1.196 10 0 ADAEMP C[C@H]([NH3+])[C@@](C)(F)c1c[nH+]ccc1N 307528135 346093235 /nfs/dbraw/zinc/09/32/35/346093235.db2.gz KTLQREHVSQLNIA-IMTBSYHQSA-N 2 1 183.230 1.196 10 0 ADAEMP [NH3+][C@H](C[NH+]1CCCC1)C1=CCCCC1 307531291 346094670 /nfs/dbraw/zinc/09/46/70/346094670.db2.gz ULFSOXUNRDIVSD-GFCCVEGCSA-N 2 1 194.322 1.910 10 0 ADAEMP [NH3+][C@@H](C[NH+]1CCCC1)C1=CCCCC1 307531292 346094700 /nfs/dbraw/zinc/09/47/00/346094700.db2.gz ULFSOXUNRDIVSD-LBPRGKRZSA-N 2 1 194.322 1.910 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 307530885 346094963 /nfs/dbraw/zinc/09/49/63/346094963.db2.gz WIFVGZFTJHVXLH-PKSGFQROSA-N 2 1 194.322 1.494 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CSC[C@@H]1C 307531874 346095207 /nfs/dbraw/zinc/09/52/07/346095207.db2.gz WMTAYPJQKRLMSV-DTWKUNHWSA-N 2 1 188.340 1.065 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CSC[C@H]1C 307531873 346095231 /nfs/dbraw/zinc/09/52/31/346095231.db2.gz WMTAYPJQKRLMSV-BDAKNGLRSA-N 2 1 188.340 1.065 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CSC[C@@H]1C 307531875 346095375 /nfs/dbraw/zinc/09/53/75/346095375.db2.gz WMTAYPJQKRLMSV-IUCAKERBSA-N 2 1 188.340 1.065 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CSC[C@H]1C 307531876 346095392 /nfs/dbraw/zinc/09/53/92/346095392.db2.gz WMTAYPJQKRLMSV-RKDXNWHRSA-N 2 1 188.340 1.065 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 307533935 346096386 /nfs/dbraw/zinc/09/63/86/346096386.db2.gz BCIORVLMDGBEDQ-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 307533946 346096427 /nfs/dbraw/zinc/09/64/27/346096427.db2.gz BCIORVLMDGBEDQ-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 307533926 346096454 /nfs/dbraw/zinc/09/64/54/346096454.db2.gz BCIORVLMDGBEDQ-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 307533957 346096573 /nfs/dbraw/zinc/09/65/73/346096573.db2.gz BCIORVLMDGBEDQ-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+]C1(C2=[NH+]CCCN2)CCCCC1 307535861 346098134 /nfs/dbraw/zinc/09/81/34/346098134.db2.gz SAMWANVFRMVOEL-UHFFFAOYSA-N 2 1 181.283 1.040 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307539214 346099511 /nfs/dbraw/zinc/09/95/11/346099511.db2.gz XVOZHXZCUAAELU-AXFHLTTASA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307539215 346099625 /nfs/dbraw/zinc/09/96/25/346099625.db2.gz XVOZHXZCUAAELU-MXWKQRLJSA-N 2 1 182.311 1.325 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@H+]2CCC3(CCC3)C2)C1 307539392 346100081 /nfs/dbraw/zinc/10/00/81/346100081.db2.gz UQEPWISNAIOWEZ-NSHDSACASA-N 2 1 194.322 1.614 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CCC3(CCC3)C2)C1 307539390 346100269 /nfs/dbraw/zinc/10/02/69/346100269.db2.gz UQEPWISNAIOWEZ-LLVKDONJSA-N 2 1 194.322 1.614 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CCC3(CCC3)C2)C1 307539390 346100273 /nfs/dbraw/zinc/10/02/73/346100273.db2.gz UQEPWISNAIOWEZ-LLVKDONJSA-N 2 1 194.322 1.614 10 0 ADAEMP C1=C(C[N@@H+]2CCC[NH2+]CC2)CCC1 307544530 346103322 /nfs/dbraw/zinc/10/33/22/346103322.db2.gz WKORKPYRSFAZDK-UHFFFAOYSA-N 2 1 180.295 1.392 10 0 ADAEMP C1=C(C[N@H+]2CCC[NH2+]CC2)CCC1 307544530 346103324 /nfs/dbraw/zinc/10/33/24/346103324.db2.gz WKORKPYRSFAZDK-UHFFFAOYSA-N 2 1 180.295 1.392 10 0 ADAEMP CCc1cc(OC2CC([NH3+])C2)cc[nH+]1 307545258 346103843 /nfs/dbraw/zinc/10/38/43/346103843.db2.gz JGYODKOXVJHOKU-UHFFFAOYSA-N 2 1 192.262 1.513 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 307545640 346103939 /nfs/dbraw/zinc/10/39/39/346103939.db2.gz KEWKKDDFEMNOER-GARJFASQSA-N 2 1 182.311 1.325 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 307545641 346103978 /nfs/dbraw/zinc/10/39/78/346103978.db2.gz KEWKKDDFEMNOER-OUAUKWLOSA-N 2 1 182.311 1.325 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 307547066 346105183 /nfs/dbraw/zinc/10/51/83/346105183.db2.gz LCANHVZRKRQVIR-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]12 307547069 346105321 /nfs/dbraw/zinc/10/53/21/346105321.db2.gz LCANHVZRKRQVIR-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 307547074 346105329 /nfs/dbraw/zinc/10/53/29/346105329.db2.gz LCANHVZRKRQVIR-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]12 307547071 346105348 /nfs/dbraw/zinc/10/53/48/346105348.db2.gz LCANHVZRKRQVIR-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+][C@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@@H]12 307555346 346110192 /nfs/dbraw/zinc/11/01/92/346110192.db2.gz NMIPEKGMFDTFBC-AXFHLTTASA-N 2 1 180.295 1.066 10 0 ADAEMP CC1(C)CC([N@H+]2CCC[C@@H]([NH3+])C2)C1 307561622 346113169 /nfs/dbraw/zinc/11/31/69/346113169.db2.gz JGQHSCGBXIYHEJ-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC([N@H+]2CCC[C@H]([NH3+])C2)C1 307561623 346113122 /nfs/dbraw/zinc/11/31/22/346113122.db2.gz JGQHSCGBXIYHEJ-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CCC2(CCC2)C1 307561998 346114079 /nfs/dbraw/zinc/11/40/79/346114079.db2.gz KBHLFKFVBZRUBF-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC1([N@H+]2CCC3(CCC3)C2)CC1 307565862 346115977 /nfs/dbraw/zinc/11/59/77/346115977.db2.gz NDULGCSXLREYDS-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])CC(C)(C)C1 307570574 346119701 /nfs/dbraw/zinc/11/97/01/346119701.db2.gz CQOLHKDXJMCCLH-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 307570780 346119713 /nfs/dbraw/zinc/11/97/13/346119713.db2.gz CUGNIYRUNNELMI-PMUOWJKOSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])CC(C)(C)C1 307570569 346119754 /nfs/dbraw/zinc/11/97/54/346119754.db2.gz CQOLHKDXJMCCLH-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 307570782 346119782 /nfs/dbraw/zinc/11/97/82/346119782.db2.gz CUGNIYRUNNELMI-SFXRXQKFSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 307570779 346119800 /nfs/dbraw/zinc/11/98/00/346119800.db2.gz CUGNIYRUNNELMI-IDWGSYCQSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@@H+](C)C1CC([NH3+])C1 307570777 346119877 /nfs/dbraw/zinc/11/98/77/346119877.db2.gz CUGNIYRUNNELMI-AGVGLQIMSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@@H+](C)C1CCC([NH3+])CC1 307573236 346121367 /nfs/dbraw/zinc/12/13/67/346121367.db2.gz ZVMMFTANBIMCMN-YYJSSNLHSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]1CC[C@H]1[N@@H+](C)C1CCC([NH3+])CC1 307573234 346121509 /nfs/dbraw/zinc/12/15/09/346121509.db2.gz ZVMMFTANBIMCMN-WNYYMSAVSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1CC[C@H]1[N@@H+](C)C1CCC([NH3+])CC1 307573233 346121598 /nfs/dbraw/zinc/12/15/98/346121598.db2.gz ZVMMFTANBIMCMN-HBIQZDMRSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@@H+](C)C1CCC([NH3+])CC1 307573235 346121660 /nfs/dbraw/zinc/12/16/60/346121660.db2.gz ZVMMFTANBIMCMN-XKGSQUFQSA-N 2 1 196.338 1.987 10 0 ADAEMP c1cn2c([nH+]1)CC[C@H]([NH2+]CC1CC1)C2 307578515 346125215 /nfs/dbraw/zinc/12/52/15/346125215.db2.gz NXFUATCXZSAODZ-JTQLQIEISA-N 2 1 191.278 1.198 10 0 ADAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+]CC1CC1)C2 307578516 346125378 /nfs/dbraw/zinc/12/53/78/346125378.db2.gz NXFUATCXZSAODZ-SNVBAGLBSA-N 2 1 191.278 1.198 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](C)C1 307582272 346127245 /nfs/dbraw/zinc/12/72/45/346127245.db2.gz UPVOZAXKWFRJCX-ZJUUUORDSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](C)C1 307582271 346127315 /nfs/dbraw/zinc/12/73/15/346127315.db2.gz UPVOZAXKWFRJCX-VHSXEESVSA-N 2 1 170.300 1.184 10 0 ADAEMP CC[C@]1(C[N@H+]2CC[C@@H]2C)CCC[NH2+]C1 307584814 346129119 /nfs/dbraw/zinc/12/91/19/346129119.db2.gz JVHUVPXFHZATRQ-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@]1(C[N@H+]2CC[C@H]2C)CCC[NH2+]C1 307584812 346129203 /nfs/dbraw/zinc/12/92/03/346129203.db2.gz JVHUVPXFHZATRQ-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@]1(C[N@H+]2CC[C@H]2C)CCC[NH2+]C1 307584815 346129384 /nfs/dbraw/zinc/12/93/84/346129384.db2.gz JVHUVPXFHZATRQ-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@]1(C[N@H+]2CC[C@@H]2C)CCC[NH2+]C1 307584813 346129446 /nfs/dbraw/zinc/12/94/46/346129446.db2.gz JVHUVPXFHZATRQ-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CC[NH2+]C1 307585434 346129919 /nfs/dbraw/zinc/12/99/19/346129919.db2.gz LQQLPYHLNFHZIV-AXFHLTTASA-N 2 1 180.295 1.365 10 0 ADAEMP C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[NH2+]C1 307585435 346129968 /nfs/dbraw/zinc/12/99/68/346129968.db2.gz LQQLPYHLNFHZIV-OUAUKWLOSA-N 2 1 180.295 1.365 10 0 ADAEMP C[NH2+][C@@](C)(C[NH3+])C1CCCC1 307587388 346130900 /nfs/dbraw/zinc/13/09/00/346130900.db2.gz SYXCSPVYCJRGKC-VIFPVBQESA-N 2 1 156.273 1.113 10 0 ADAEMP C[NH2+][C@](C)(C[NH3+])C1CCCC1 307587387 346131004 /nfs/dbraw/zinc/13/10/04/346131004.db2.gz SYXCSPVYCJRGKC-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]([NH3+])C1(C)C 307589439 346132005 /nfs/dbraw/zinc/13/20/05/346132005.db2.gz BAURHGLJKZBISQ-QMMMGPOBSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])C1(C)C 307589438 346132169 /nfs/dbraw/zinc/13/21/69/346132169.db2.gz BAURHGLJKZBISQ-MRVPVSSYSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@H]1[C@@H](C)CC[N@H+]1C1CC([NH3+])C1 307595970 346136124 /nfs/dbraw/zinc/13/61/24/346136124.db2.gz LXWQUKVKOGJCNE-PMUOWJKOSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1[C@@H](C)CC[N@H+]1C1CC([NH3+])C1 307595960 346136223 /nfs/dbraw/zinc/13/62/23/346136223.db2.gz LXWQUKVKOGJCNE-IDWGSYCQSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@@H]1[C@H](C)CC[N@H+]1C1CC([NH3+])C1 307595959 346136333 /nfs/dbraw/zinc/13/63/33/346136333.db2.gz LXWQUKVKOGJCNE-AGVGLQIMSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H]1[C@H](C)CC[N@H+]1C1CC([NH3+])C1 307595980 346136382 /nfs/dbraw/zinc/13/63/82/346136382.db2.gz LXWQUKVKOGJCNE-SFXRXQKFSA-N 2 1 182.311 1.597 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[C@H]2C)C1 307601536 346140055 /nfs/dbraw/zinc/14/00/55/346140055.db2.gz SFSIEEIBAJQSNL-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[C@H]2C)C1 307601536 346140057 /nfs/dbraw/zinc/14/00/57/346140057.db2.gz SFSIEEIBAJQSNL-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H](C)[C@H]2C)C1 307601538 346140188 /nfs/dbraw/zinc/14/01/88/346140188.db2.gz SFSIEEIBAJQSNL-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H](C)[C@H]2C)C1 307601538 346140189 /nfs/dbraw/zinc/14/01/89/346140189.db2.gz SFSIEEIBAJQSNL-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2C[C@H](C)[C@@H]2C)C1 307601539 346140253 /nfs/dbraw/zinc/14/02/53/346140253.db2.gz SFSIEEIBAJQSNL-UKKRHICBSA-N 2 1 182.311 1.325 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@H]2C[C@H](C)[C@@H]2C)C1 307601539 346140254 /nfs/dbraw/zinc/14/02/54/346140254.db2.gz SFSIEEIBAJQSNL-UKKRHICBSA-N 2 1 182.311 1.325 10 0 ADAEMP CCC1C[NH+]([C@@H](C)[C@H](C)[NH3+])C1 307602694 346140519 /nfs/dbraw/zinc/14/05/19/346140519.db2.gz XGFRYSLSHPBHPT-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC1C[NH+]([C@H](C)[C@@H](C)[NH3+])C1 307602691 346140640 /nfs/dbraw/zinc/14/06/40/346140640.db2.gz XGFRYSLSHPBHPT-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC1C[NH+]([C@@H](C)[C@@H](C)[NH3+])C1 307602693 346140663 /nfs/dbraw/zinc/14/06/63/346140663.db2.gz XGFRYSLSHPBHPT-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC1C[NH+]([C@H](C)[C@H](C)[NH3+])C1 307602692 346140686 /nfs/dbraw/zinc/14/06/86/346140686.db2.gz XGFRYSLSHPBHPT-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[N@@H+](C1CC([NH3+])C1)[C@@H]1C=CCCC1 307606260 346142639 /nfs/dbraw/zinc/14/26/39/346142639.db2.gz ABLVGNRVLSKKKJ-HSOILSAZSA-N 2 1 180.295 1.517 10 0 ADAEMP C[N@@H+](C1CC([NH3+])C1)[C@H]1C=CCCC1 307606266 346142916 /nfs/dbraw/zinc/14/29/16/346142916.db2.gz ABLVGNRVLSKKKJ-YVNMAJEFSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@H](N)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C 307609887 346145093 /nfs/dbraw/zinc/14/50/93/346145093.db2.gz GZVUIKABSTVPKF-SSRBZLIGSA-N 2 1 184.327 1.698 10 0 ADAEMP C[C@H](N)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C 307609884 346145147 /nfs/dbraw/zinc/14/51/47/346145147.db2.gz GZVUIKABSTVPKF-HWUMTFDVSA-N 2 1 184.327 1.698 10 0 ADAEMP C[C@H](N)[C@H](C)[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C 307609886 346145192 /nfs/dbraw/zinc/14/51/92/346145192.db2.gz GZVUIKABSTVPKF-QHZLYTNSSA-N 2 1 184.327 1.698 10 0 ADAEMP C1CSC2(CC[NH+](C3CC3)CC2)[NH2+]1 307612042 346146568 /nfs/dbraw/zinc/14/65/68/346146568.db2.gz KHEJRFHANCZHQF-UHFFFAOYSA-N 2 1 198.335 1.277 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@H]1C[NH2+]CC[C@H]1C 307616294 346149721 /nfs/dbraw/zinc/14/97/21/346149721.db2.gz PXOKYPVZACIABP-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@H]1C[NH2+]CC[C@H]1C 307616294 346149722 /nfs/dbraw/zinc/14/97/22/346149722.db2.gz PXOKYPVZACIABP-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+]1CC[C@H]1C 307616291 346149744 /nfs/dbraw/zinc/14/97/44/346149744.db2.gz PXOKYPVZACIABP-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+]1CC[C@H]1C 307616291 346149745 /nfs/dbraw/zinc/14/97/45/346149745.db2.gz PXOKYPVZACIABP-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[N@H+]1CC[C@H]1C 307616293 346149832 /nfs/dbraw/zinc/14/98/32/346149832.db2.gz PXOKYPVZACIABP-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+]1CC[C@H]1C 307616293 346149833 /nfs/dbraw/zinc/14/98/33/346149833.db2.gz PXOKYPVZACIABP-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@H]1C[NH2+]CC[C@H]1C 307616292 346149854 /nfs/dbraw/zinc/14/98/54/346149854.db2.gz PXOKYPVZACIABP-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H]1C[NH2+]CC[C@H]1C 307616292 346149855 /nfs/dbraw/zinc/14/98/55/346149855.db2.gz PXOKYPVZACIABP-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@@H]2C1 307621104 346152363 /nfs/dbraw/zinc/15/23/63/346152363.db2.gz JPQUVZKTJUCIQC-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307620784 346152459 /nfs/dbraw/zinc/15/24/59/346152459.db2.gz OHDXUTHPFBKZMS-LPEHRKFASA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 307621100 346152542 /nfs/dbraw/zinc/15/25/42/346152542.db2.gz JPQUVZKTJUCIQC-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+]C1(C[NH+]2CC=CC2)CCCC1 307621594 346152895 /nfs/dbraw/zinc/15/28/95/346152895.db2.gz BNFCMFJUWFCZEM-UHFFFAOYSA-N 2 1 166.268 1.130 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@H]1C 307624356 346154240 /nfs/dbraw/zinc/15/42/40/346154240.db2.gz NBEQQUVOPCLKEB-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H]1C 307624357 346154403 /nfs/dbraw/zinc/15/44/03/346154403.db2.gz NBEQQUVOPCLKEB-OPRDCNLKSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+]1CC1([NH3+])CCCCC1 307627151 346155917 /nfs/dbraw/zinc/15/59/17/346155917.db2.gz IMINYIJXDRWDJG-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1([NH3+])CCCCC1 307627151 346155920 /nfs/dbraw/zinc/15/59/20/346155920.db2.gz IMINYIJXDRWDJG-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]1CC[N@@H+]1CC1([NH3+])CCCCC1 307627150 346155960 /nfs/dbraw/zinc/15/59/60/346155960.db2.gz IMINYIJXDRWDJG-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]1CC[N@H+]1CC1([NH3+])CCCCC1 307627150 346155963 /nfs/dbraw/zinc/15/59/63/346155963.db2.gz IMINYIJXDRWDJG-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC1(C)CC[N@H+]1CC1CC[NH2+]CC1 307628274 346156381 /nfs/dbraw/zinc/15/63/81/346156381.db2.gz MBTYBYDBZAJBNL-UHFFFAOYSA-N 2 1 182.311 1.470 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307630801 346158112 /nfs/dbraw/zinc/15/81/12/346158112.db2.gz OHXQPUUBTSMBRX-KXMPLOMGSA-N 2 1 180.295 1.248 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307630802 346157925 /nfs/dbraw/zinc/15/79/25/346157925.db2.gz OHXQPUUBTSMBRX-VUDBWIFFSA-N 2 1 180.295 1.248 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC2)C[C@@]1(C)C[NH3+] 307631526 346158756 /nfs/dbraw/zinc/15/87/56/346158756.db2.gz YIRTVCSZGWFMFY-PSASIEDQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[N@H+](C2CC2)C[C@@]1(C)C[NH3+] 307631534 346158831 /nfs/dbraw/zinc/15/88/31/346158831.db2.gz YIRTVCSZGWFMFY-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[N@H+](C2CC2)C[C@]1(C)C[NH3+] 307631539 346158933 /nfs/dbraw/zinc/15/89/33/346158933.db2.gz YIRTVCSZGWFMFY-WPRPVWTQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC2)C[C@]1(C)C[NH3+] 307631530 346158988 /nfs/dbraw/zinc/15/89/88/346158988.db2.gz YIRTVCSZGWFMFY-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP Cc1ccc(N[C@@H]2[C@@H]3C[NH2+]C[C@@H]32)[nH+]c1 307633263 346159888 /nfs/dbraw/zinc/15/98/88/346159888.db2.gz QTBBCSJGEYUJEL-DOFRTFSJSA-N 2 1 189.262 1.020 10 0 ADAEMP CC1(C)CC(C[NH3+])([NH+]2CCC2)C1 307648469 346166142 /nfs/dbraw/zinc/16/61/42/346166142.db2.gz GUTMQQZEHMJIJQ-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1C 307660726 346170251 /nfs/dbraw/zinc/17/02/51/346170251.db2.gz CMTUJJMQSMVMCP-VHSXEESVSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C 307660726 346170252 /nfs/dbraw/zinc/17/02/52/346170252.db2.gz CMTUJJMQSMVMCP-VHSXEESVSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@@H]([NH3+])[C@H]1C 307660715 346170263 /nfs/dbraw/zinc/17/02/63/346170263.db2.gz CMTUJJMQSMVMCP-NXEZZACHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C 307660715 346170264 /nfs/dbraw/zinc/17/02/64/346170264.db2.gz CMTUJJMQSMVMCP-NXEZZACHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@H]([NH3+])[C@H]1C 307660731 346170290 /nfs/dbraw/zinc/17/02/90/346170290.db2.gz CMTUJJMQSMVMCP-ZJUUUORDSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@H]([NH3+])[C@H]1C 307660731 346170291 /nfs/dbraw/zinc/17/02/91/346170291.db2.gz CMTUJJMQSMVMCP-ZJUUUORDSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C 307660722 346170309 /nfs/dbraw/zinc/17/03/09/346170309.db2.gz CMTUJJMQSMVMCP-UWVGGRQHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 307660722 346170310 /nfs/dbraw/zinc/17/03/10/346170310.db2.gz CMTUJJMQSMVMCP-UWVGGRQHSA-N 2 1 168.284 1.374 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC1(C)C[NH2+]C1 307676164 346177489 /nfs/dbraw/zinc/17/74/89/346177489.db2.gz HNEOWKARKCYYCE-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307680918 346179084 /nfs/dbraw/zinc/17/90/84/346179084.db2.gz PDQFDMUWYVNTKB-WUNPDAOYSA-N 2 1 180.295 1.104 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307680917 346179100 /nfs/dbraw/zinc/17/91/00/346179100.db2.gz PDQFDMUWYVNTKB-NTYHVHHESA-N 2 1 180.295 1.104 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 307680920 346179279 /nfs/dbraw/zinc/17/92/79/346179279.db2.gz PDQFDMUWYVNTKB-ZROCKMJXSA-N 2 1 180.295 1.104 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC3CCC2CC3)C1 307687609 346184000 /nfs/dbraw/zinc/18/40/00/346184000.db2.gz DKDHNIDCRDHLCB-UHFFFAOYSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+][C@@H]1CCCCC[C@@H]1[NH+]1CCC1 307695675 346188715 /nfs/dbraw/zinc/18/87/15/346188715.db2.gz FUFPPONRNWWKFC-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+][C@@H]1CCCCC[C@H]1[NH+]1CCC1 307695671 346188743 /nfs/dbraw/zinc/18/87/43/346188743.db2.gz FUFPPONRNWWKFC-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+][C@H]1CCCCC[C@@H]1[NH+]1CCC1 307695672 346188913 /nfs/dbraw/zinc/18/89/13/346188913.db2.gz FUFPPONRNWWKFC-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+][C@H]1CCCCC[C@H]1[NH+]1CCC1 307695674 346189069 /nfs/dbraw/zinc/18/90/69/346189069.db2.gz FUFPPONRNWWKFC-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@H]1CC[C@@]2(CCN(CC[NH3+])C2)C1 307702702 346192869 /nfs/dbraw/zinc/19/28/69/346192869.db2.gz UPVKYESNJQRJFL-WDEREUQCSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC[C@@]2(CC[N@H+](CC[NH3+])C2)C1 307702702 346192870 /nfs/dbraw/zinc/19/28/70/346192870.db2.gz UPVKYESNJQRJFL-WDEREUQCSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC[C@@]2(CC[N@@H+](CC[NH3+])C2)C1 307702702 346192873 /nfs/dbraw/zinc/19/28/73/346192873.db2.gz UPVKYESNJQRJFL-WDEREUQCSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@@]2(CCN(CC[NH3+])C2)C1 307702698 346192897 /nfs/dbraw/zinc/19/28/97/346192897.db2.gz UPVKYESNJQRJFL-GHMZBOCLSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@@]2(CC[N@H+](CC[NH3+])C2)C1 307702698 346192898 /nfs/dbraw/zinc/19/28/98/346192898.db2.gz UPVKYESNJQRJFL-GHMZBOCLSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC[NH3+])C2)C1 307702698 346192901 /nfs/dbraw/zinc/19/29/01/346192901.db2.gz UPVKYESNJQRJFL-GHMZBOCLSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@]2(CCN(CC[NH3+])C2)C1 307702699 346192927 /nfs/dbraw/zinc/19/29/27/346192927.db2.gz UPVKYESNJQRJFL-MNOVXSKESA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@]2(CC[N@H+](CC[NH3+])C2)C1 307702699 346192928 /nfs/dbraw/zinc/19/29/28/346192928.db2.gz UPVKYESNJQRJFL-MNOVXSKESA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@@H]1CC[C@]2(CC[N@@H+](CC[NH3+])C2)C1 307702699 346192930 /nfs/dbraw/zinc/19/29/30/346192930.db2.gz UPVKYESNJQRJFL-MNOVXSKESA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC[C@]2(CCN(CC[NH3+])C2)C1 307702700 346193158 /nfs/dbraw/zinc/19/31/58/346193158.db2.gz UPVKYESNJQRJFL-QWRGUYRKSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC[C@]2(CC[N@H+](CC[NH3+])C2)C1 307702700 346193161 /nfs/dbraw/zinc/19/31/61/346193161.db2.gz UPVKYESNJQRJFL-QWRGUYRKSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC[C@]2(CC[N@@H+](CC[NH3+])C2)C1 307702700 346193162 /nfs/dbraw/zinc/19/31/62/346193162.db2.gz UPVKYESNJQRJFL-QWRGUYRKSA-N 2 1 182.311 1.457 10 0 ADAEMP C[C@H]1CC[C@@H]1[N@H+]1CCC[NH2+][C@H](C)CC1 307703576 346193425 /nfs/dbraw/zinc/19/34/25/346193425.db2.gz VTVLDADSUKYWNV-TUAOUCFPSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@H]2CC[C@H]2C)CCC[NH2+]1 307703577 346193585 /nfs/dbraw/zinc/19/35/85/346193585.db2.gz VTVLDADSUKYWNV-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@H]1CC[C@H]1[N@H+]1CCC[NH2+][C@H](C)CC1 307703575 346193699 /nfs/dbraw/zinc/19/36/99/346193699.db2.gz VTVLDADSUKYWNV-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H]2C)CCC[NH2+]1 307703574 346193732 /nfs/dbraw/zinc/19/37/32/346193732.db2.gz VTVLDADSUKYWNV-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307707487 346195238 /nfs/dbraw/zinc/19/52/38/346195238.db2.gz ZFXYNEBVBKIWMM-GUBZILKMSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307707489 346195543 /nfs/dbraw/zinc/19/55/43/346195543.db2.gz ZFXYNEBVBKIWMM-LPEHRKFASA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@@H]2CCC[C@@H]21 307709419 346196444 /nfs/dbraw/zinc/19/64/44/346196444.db2.gz MEECVYWKEAIPES-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@H]2CCC[C@@H]21 307709421 346196516 /nfs/dbraw/zinc/19/65/16/346196516.db2.gz MEECVYWKEAIPES-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@@H]2CCC[C@H]21 307709420 346196613 /nfs/dbraw/zinc/19/66/13/346196613.db2.gz MEECVYWKEAIPES-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 307712353 346197803 /nfs/dbraw/zinc/19/78/03/346197803.db2.gz WTOCUTPSVITOFM-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 307712356 346197812 /nfs/dbraw/zinc/19/78/12/346197812.db2.gz WTOCUTPSVITOFM-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@H]([NH3+])CC1 307712354 346197923 /nfs/dbraw/zinc/19/79/23/346197923.db2.gz WTOCUTPSVITOFM-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@H]([NH3+])CC1 307712355 346198017 /nfs/dbraw/zinc/19/80/17/346198017.db2.gz WTOCUTPSVITOFM-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@H]2CCCCCC[C@H]21 307718835 346201322 /nfs/dbraw/zinc/20/13/22/346201322.db2.gz MAHHUDKBQYBGDU-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@H]2CCCCCC[C@H]21 307718835 346201323 /nfs/dbraw/zinc/20/13/23/346201323.db2.gz MAHHUDKBQYBGDU-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@H]2CCCCCC[C@@H]21 307718836 346201435 /nfs/dbraw/zinc/20/14/35/346201435.db2.gz MAHHUDKBQYBGDU-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@H]2CCCCCC[C@@H]21 307718836 346201436 /nfs/dbraw/zinc/20/14/36/346201436.db2.gz MAHHUDKBQYBGDU-MNOVXSKESA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@@H]2CCCCCC[C@@H]21 307718837 346201449 /nfs/dbraw/zinc/20/14/49/346201449.db2.gz MAHHUDKBQYBGDU-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@@H]2CCCCCC[C@@H]21 307718837 346201451 /nfs/dbraw/zinc/20/14/51/346201451.db2.gz MAHHUDKBQYBGDU-QWRGUYRKSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@@H+]1C[C@@H]2CCCCCC[C@H]21 307718838 346201539 /nfs/dbraw/zinc/20/15/39/346201539.db2.gz MAHHUDKBQYBGDU-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+]CC[N@H+]1C[C@@H]2CCCCCC[C@H]21 307718838 346201542 /nfs/dbraw/zinc/20/15/42/346201542.db2.gz MAHHUDKBQYBGDU-WDEREUQCSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1CCC[N@H+]1CC1(C)C[NH2+]C1 307722787 346203697 /nfs/dbraw/zinc/20/36/97/346203697.db2.gz YZHMJVKGWZICCU-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1(C)C[NH2+]C1 307722785 346203760 /nfs/dbraw/zinc/20/37/60/346203760.db2.gz YZHMJVKGWZICCU-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[N@@H+]1CCCC[C@@H]1C[C@@H](C)[NH3+] 307726805 346205581 /nfs/dbraw/zinc/20/55/81/346205581.db2.gz DLJVOEQHTCAQLC-GHMZBOCLSA-N 2 1 184.327 1.987 10 0 ADAEMP CC(C)[N@@H+]1CCCC[C@@H]1C[C@H](C)[NH3+] 307726910 346205728 /nfs/dbraw/zinc/20/57/28/346205728.db2.gz DLJVOEQHTCAQLC-WDEREUQCSA-N 2 1 184.327 1.987 10 0 ADAEMP CC(C)[N@@H+]1CCCC[C@H]1C[C@@H](C)[NH3+] 307726806 346205775 /nfs/dbraw/zinc/20/57/75/346205775.db2.gz DLJVOEQHTCAQLC-MNOVXSKESA-N 2 1 184.327 1.987 10 0 ADAEMP CC(C)[N@@H+]1CCCC[C@H]1C[C@H](C)[NH3+] 307726807 346205893 /nfs/dbraw/zinc/20/58/93/346205893.db2.gz DLJVOEQHTCAQLC-QWRGUYRKSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@]12CC[N@@H+](C)C[C@H]2C 307729090 346206768 /nfs/dbraw/zinc/20/67/68/346206768.db2.gz ILUYRVAQUYDZJB-GMTAPVOTSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@]12CC[N@@H+](C)C[C@@H]2C 307729096 346206839 /nfs/dbraw/zinc/20/68/39/346206839.db2.gz ILUYRVAQUYDZJB-OUAUKWLOSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@]12CC[N@@H+](C)C[C@@H]2C 307729099 346206906 /nfs/dbraw/zinc/20/69/06/346206906.db2.gz ILUYRVAQUYDZJB-VWYCJHECSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@]12CC[N@@H+](C)C[C@H]2C 307729093 346206969 /nfs/dbraw/zinc/20/69/69/346206969.db2.gz ILUYRVAQUYDZJB-MXWKQRLJSA-N 2 1 182.311 1.184 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC2(CCC2)C1 307730756 346208087 /nfs/dbraw/zinc/20/80/87/346208087.db2.gz IPYWSUVPOYOBOO-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC2(CCC2)C1 307730753 346207941 /nfs/dbraw/zinc/20/79/41/346207941.db2.gz IPYWSUVPOYOBOO-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC2(CCC2)C1 307730754 346208124 /nfs/dbraw/zinc/20/81/24/346208124.db2.gz IPYWSUVPOYOBOO-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC2(CCC2)C1 307730755 346208135 /nfs/dbraw/zinc/20/81/35/346208135.db2.gz IPYWSUVPOYOBOO-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP NC(=[NH2+])C[NH+]1C[C@@H]2CCCC[C@H]2C1 307731730 346208504 /nfs/dbraw/zinc/20/85/04/346208504.db2.gz NRDRUZOALVIFBE-IUCAKERBSA-N 2 1 181.283 1.044 10 0 ADAEMP NC(=[NH2+])C[NH+]1C[C@H]2CCCC[C@@H]2C1 307731731 346208675 /nfs/dbraw/zinc/20/86/75/346208675.db2.gz NRDRUZOALVIFBE-RKDXNWHRSA-N 2 1 181.283 1.044 10 0 ADAEMP C[N@@H+]([C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C 307732318 346209085 /nfs/dbraw/zinc/20/90/85/346209085.db2.gz LFPSYAONXDGIGK-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP C[N@@H+]([C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C 307732319 346209344 /nfs/dbraw/zinc/20/93/44/346209344.db2.gz LFPSYAONXDGIGK-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP C[N@@H+]([C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C 307732320 346209368 /nfs/dbraw/zinc/20/93/68/346209368.db2.gz LFPSYAONXDGIGK-ZJUUUORDSA-N 2 1 184.327 1.987 10 0 ADAEMP C[N@@H+]([C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C 307732316 346209381 /nfs/dbraw/zinc/20/93/81/346209381.db2.gz LFPSYAONXDGIGK-NXEZZACHSA-N 2 1 184.327 1.987 10 0 ADAEMP CC1CC([N@H+]2CC[C@](C)(C[NH3+])C2)C1 307739959 346212817 /nfs/dbraw/zinc/21/28/17/346212817.db2.gz ZSCTYYZPVHJRKA-VQXHTEKXSA-N 2 1 182.311 1.456 10 0 ADAEMP Cc1c[nH+]ccc1NC1C[NH+](C)C1 307739432 346212835 /nfs/dbraw/zinc/21/28/35/346212835.db2.gz YTKDDDOESRUBSL-UHFFFAOYSA-N 2 1 177.251 1.116 10 0 ADAEMP CC1CC([N@H+]2CC[C@@](C)(C[NH3+])C2)C1 307739957 346212970 /nfs/dbraw/zinc/21/29/70/346212970.db2.gz ZSCTYYZPVHJRKA-ILDUYXDCSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)n1c[nH+]cc1CC(C)(C)[NH3+] 307744901 346215340 /nfs/dbraw/zinc/21/53/40/346215340.db2.gz PZEKYXVXVSUJQV-UHFFFAOYSA-N 2 1 181.283 1.744 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307746510 346216527 /nfs/dbraw/zinc/21/65/27/346216527.db2.gz VQKLPVMXCBRUDS-NTYHVHHESA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307746510 346216529 /nfs/dbraw/zinc/21/65/29/346216529.db2.gz VQKLPVMXCBRUDS-NTYHVHHESA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307746511 346216608 /nfs/dbraw/zinc/21/66/08/346216608.db2.gz VQKLPVMXCBRUDS-WUNPDAOYSA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307746512 346216668 /nfs/dbraw/zinc/21/66/68/346216668.db2.gz VQKLPVMXCBRUDS-ZNRGBCAMSA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307746512 346216670 /nfs/dbraw/zinc/21/66/70/346216670.db2.gz VQKLPVMXCBRUDS-ZNRGBCAMSA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C/C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307746513 346216774 /nfs/dbraw/zinc/21/67/74/346216774.db2.gz VQKLPVMXCBRUDS-ZROCKMJXSA-N 2 1 180.295 1.246 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307746513 346216776 /nfs/dbraw/zinc/21/67/76/346216776.db2.gz VQKLPVMXCBRUDS-ZROCKMJXSA-N 2 1 180.295 1.246 10 0 ADAEMP CCC[N@H+]1CC[C@H]([C@H]2CC[NH2+]C2)C1 307755601 346224254 /nfs/dbraw/zinc/22/42/54/346224254.db2.gz FCEGPLGMNVJATG-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[N@H+]1CC[C@H]([C@@H]2CC[NH2+]C2)C1 307755600 346224280 /nfs/dbraw/zinc/22/42/80/346224280.db2.gz FCEGPLGMNVJATG-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([C@@H]2CC[NH2+]C2)C1 307755599 346224296 /nfs/dbraw/zinc/22/42/96/346224296.db2.gz FCEGPLGMNVJATG-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([C@H]2CC[NH2+]C2)C1 307755602 346224520 /nfs/dbraw/zinc/22/45/20/346224520.db2.gz FCEGPLGMNVJATG-WDEREUQCSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CC2)C[C@@H]1[NH3+] 307760188 346227065 /nfs/dbraw/zinc/22/70/65/346227065.db2.gz VCCWENMXJISWIK-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@@H]1[NH3+] 307760186 346227210 /nfs/dbraw/zinc/22/72/10/346227210.db2.gz VCCWENMXJISWIK-BDAKNGLRSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CC2)C[C@H]1[NH3+] 307760187 346227250 /nfs/dbraw/zinc/22/72/50/346227250.db2.gz VCCWENMXJISWIK-DTWKUNHWSA-N 2 1 168.284 1.066 10 0 ADAEMP C/C(=C/Cl)C[NH+]1CCC([NH3+])CC1 307993292 346248417 /nfs/dbraw/zinc/24/84/17/346248417.db2.gz YUZPLBVOPDFSTB-VURMDHGXSA-N 2 1 188.702 1.552 10 0 ADAEMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 308107458 346256398 /nfs/dbraw/zinc/25/63/98/346256398.db2.gz UGQJIQJJKIQDMF-NRFYAWERSA-N 2 1 182.311 1.492 10 0 ADAEMP C/C=C\C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 308107459 346256701 /nfs/dbraw/zinc/25/67/01/346256701.db2.gz UGQJIQJJKIQDMF-WQMVXFAESA-N 2 1 182.311 1.492 10 0 ADAEMP CC[NH+](CC)CC1([NH2+]C)CCCC1 308191231 346267655 /nfs/dbraw/zinc/26/76/55/346267655.db2.gz JSEHENGUAMHQHJ-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP [NH3+]CCC[N@H+]1CC[C@@H](C(F)(F)F)C1 308201927 346269208 /nfs/dbraw/zinc/26/92/08/346269208.db2.gz VTAKZXOZTQQOLN-SSDOTTSWSA-N 2 1 196.216 1.219 10 0 ADAEMP C/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 308400148 346298098 /nfs/dbraw/zinc/29/80/98/346298098.db2.gz IBMDNWBLHVNYCI-JDEDCZITSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C\C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 308400147 346298273 /nfs/dbraw/zinc/29/82/73/346298273.db2.gz IBMDNWBLHVNYCI-DQOJRVPBSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C\C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 308524295 346310617 /nfs/dbraw/zinc/31/06/17/346310617.db2.gz WIFVGZFTJHVXLH-RETOZKSVSA-N 2 1 194.322 1.494 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 334993369 346373617 /nfs/dbraw/zinc/37/36/17/346373617.db2.gz PIJDBTJZAVEMJM-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 334993368 346373843 /nfs/dbraw/zinc/37/38/43/346373843.db2.gz PIJDBTJZAVEMJM-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]([NH2+]C1CC1)c1c[nH+]ccc1N 335037687 346375167 /nfs/dbraw/zinc/37/51/67/346375167.db2.gz DHMZQFVBZQUUOC-ZETCQYMHSA-N 2 1 177.251 1.307 10 0 ADAEMP C[C@H]([NH2+]C1CCC1)c1c[nH+]ccc1N 335044149 346376106 /nfs/dbraw/zinc/37/61/06/346376106.db2.gz TVPCOLDNVYALEI-QMMMGPOBSA-N 2 1 191.278 1.697 10 0 ADAEMP CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 335571538 346405715 /nfs/dbraw/zinc/40/57/15/346405715.db2.gz DXFGASSENJLYAA-NSHDSACASA-N 2 1 182.311 1.424 10 0 ADAEMP CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 335571538 346405717 /nfs/dbraw/zinc/40/57/17/346405717.db2.gz DXFGASSENJLYAA-NSHDSACASA-N 2 1 182.311 1.424 10 0 ADAEMP CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 335571538 346405719 /nfs/dbraw/zinc/40/57/19/346405719.db2.gz DXFGASSENJLYAA-NSHDSACASA-N 2 1 182.311 1.424 10 0 ADAEMP CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 335571536 346405971 /nfs/dbraw/zinc/40/59/71/346405971.db2.gz DXFGASSENJLYAA-LLVKDONJSA-N 2 1 182.311 1.424 10 0 ADAEMP CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 335571536 346405973 /nfs/dbraw/zinc/40/59/73/346405973.db2.gz DXFGASSENJLYAA-LLVKDONJSA-N 2 1 182.311 1.424 10 0 ADAEMP CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 335571536 346405975 /nfs/dbraw/zinc/40/59/75/346405975.db2.gz DXFGASSENJLYAA-LLVKDONJSA-N 2 1 182.311 1.424 10 0 ADAEMP CC1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 335637579 346410609 /nfs/dbraw/zinc/41/06/09/346410609.db2.gz PRYKPBNFFIKUNW-VGRIYTJTSA-N 2 1 182.311 1.373 10 0 ADAEMP CC1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 335637578 346410706 /nfs/dbraw/zinc/41/07/06/346410706.db2.gz PRYKPBNFFIKUNW-QONHTCSSSA-N 2 1 182.311 1.373 10 0 ADAEMP CC1CC([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 335637569 346410733 /nfs/dbraw/zinc/41/07/33/346410733.db2.gz PRYKPBNFFIKUNW-DJRKXVOMSA-N 2 1 182.311 1.373 10 0 ADAEMP CC1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 335637581 346410817 /nfs/dbraw/zinc/41/08/17/346410817.db2.gz PRYKPBNFFIKUNW-YIYTYNFBSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1C[C@@H]1C[N@@H+]1CCN2CCC1CC2 335997832 346432611 /nfs/dbraw/zinc/43/26/11/346432611.db2.gz PGTLENHGZMSJFI-WDEREUQCSA-N 2 1 194.322 1.422 10 0 ADAEMP C[C@H]1C[C@H]1C[N@@H+]1CCN2CCC1CC2 335997831 346432708 /nfs/dbraw/zinc/43/27/08/346432708.db2.gz PGTLENHGZMSJFI-QWRGUYRKSA-N 2 1 194.322 1.422 10 0 ADAEMP CC[C@H](C)C[N@@H+]1CCN2CCC1CC2 335997313 346432912 /nfs/dbraw/zinc/43/29/12/346432912.db2.gz BCGRUENRXSRXCE-NSHDSACASA-N 2 1 196.338 1.813 10 0 ADAEMP Cc1nccn1CC[N@H+]1[C@@H](C)C[C@H]1C 336458802 346464326 /nfs/dbraw/zinc/46/43/26/346464326.db2.gz JIIJDXSWWNHRKD-AOOOYVTPSA-N 2 1 193.294 1.674 10 0 ADAEMP CC1=CC[N@@H+](CCn2ccnc2)CC1 336467264 346464511 /nfs/dbraw/zinc/46/45/11/346464511.db2.gz APIAMUOLDABIOU-UHFFFAOYSA-N 2 1 191.278 1.535 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CCn1ccnc1 336481273 346466052 /nfs/dbraw/zinc/46/60/52/346466052.db2.gz HOVPVPRMNIYDJM-SNVBAGLBSA-N 2 1 179.267 1.367 10 0 ADAEMP C[N@H+]1CCC[C@H]1CCn1ccnc1 336481272 346465990 /nfs/dbraw/zinc/46/59/90/346465990.db2.gz HOVPVPRMNIYDJM-JTQLQIEISA-N 2 1 179.267 1.367 10 0 ADAEMP Cc1nccn1C[C@H]1CC[N@H+](C)C1 336481263 346466257 /nfs/dbraw/zinc/46/62/57/346466257.db2.gz CXCVIZYNDUNZRO-JTQLQIEISA-N 2 1 179.267 1.143 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CC[N@@H+](C)C1 336481263 346466260 /nfs/dbraw/zinc/46/62/60/346466260.db2.gz CXCVIZYNDUNZRO-JTQLQIEISA-N 2 1 179.267 1.143 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CC[N@H+](C)C1 336481263 346466263 /nfs/dbraw/zinc/46/62/63/346466263.db2.gz CXCVIZYNDUNZRO-JTQLQIEISA-N 2 1 179.267 1.143 10 0 ADAEMP Cc1nccn1C[C@@H]1CC[N@H+](C)C1 336481264 346466559 /nfs/dbraw/zinc/46/65/59/346466559.db2.gz CXCVIZYNDUNZRO-SNVBAGLBSA-N 2 1 179.267 1.143 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CC[N@@H+](C)C1 336481264 346466562 /nfs/dbraw/zinc/46/65/62/346466562.db2.gz CXCVIZYNDUNZRO-SNVBAGLBSA-N 2 1 179.267 1.143 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CC[N@H+](C)C1 336481264 346466564 /nfs/dbraw/zinc/46/65/64/346466564.db2.gz CXCVIZYNDUNZRO-SNVBAGLBSA-N 2 1 179.267 1.143 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC2)CCN1C 336555502 346473920 /nfs/dbraw/zinc/47/39/20/346473920.db2.gz QFGWIUDGOGEUPM-JQWIXIFHSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@@H]([NH+](C)CC2CC2)CC[N@@H+]1C 336555502 346473923 /nfs/dbraw/zinc/47/39/23/346473923.db2.gz QFGWIUDGOGEUPM-JQWIXIFHSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@@H]([NH+](C)CC2CC2)CC[N@H+]1C 336555502 346473928 /nfs/dbraw/zinc/47/39/28/346473928.db2.gz QFGWIUDGOGEUPM-JQWIXIFHSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+](C)CC2CC2)CC[NH+]1C 336555502 346473931 /nfs/dbraw/zinc/47/39/31/346473931.db2.gz QFGWIUDGOGEUPM-JQWIXIFHSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC2)CC[NH+]1C 336555502 346473936 /nfs/dbraw/zinc/47/39/36/346473936.db2.gz QFGWIUDGOGEUPM-JQWIXIFHSA-N 2 1 196.338 1.811 10 0 ADAEMP CC1(C)CCC[N@H+]1CCn1ccnc1 336555220 346474002 /nfs/dbraw/zinc/47/40/02/346474002.db2.gz DLGQXGLLBJEJPZ-UHFFFAOYSA-N 2 1 193.294 1.758 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+](C)CC2CC2)CCN1C 336555501 346474204 /nfs/dbraw/zinc/47/42/04/346474204.db2.gz QFGWIUDGOGEUPM-CMPLNLGQSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@H]([NH+](C)CC2CC2)CC[N@@H+]1C 336555501 346474205 /nfs/dbraw/zinc/47/42/05/346474205.db2.gz QFGWIUDGOGEUPM-CMPLNLGQSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@H]([NH+](C)CC2CC2)CC[N@H+]1C 336555501 346474207 /nfs/dbraw/zinc/47/42/07/346474207.db2.gz QFGWIUDGOGEUPM-CMPLNLGQSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@H]([N@H+](C)CC2CC2)CC[NH+]1C 336555501 346474208 /nfs/dbraw/zinc/47/42/08/346474208.db2.gz QFGWIUDGOGEUPM-CMPLNLGQSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+](C)CC2CC2)CC[NH+]1C 336555501 346474210 /nfs/dbraw/zinc/47/42/10/346474210.db2.gz QFGWIUDGOGEUPM-CMPLNLGQSA-N 2 1 196.338 1.811 10 0 ADAEMP CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 336626692 346480486 /nfs/dbraw/zinc/48/04/86/346480486.db2.gz LYNQFZPOSVLGTP-GHMZBOCLSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 336626692 346480483 /nfs/dbraw/zinc/48/04/83/346480483.db2.gz LYNQFZPOSVLGTP-GHMZBOCLSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 336626692 346480485 /nfs/dbraw/zinc/48/04/85/346480485.db2.gz LYNQFZPOSVLGTP-GHMZBOCLSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 336626695 346480548 /nfs/dbraw/zinc/48/05/48/346480548.db2.gz LYNQFZPOSVLGTP-WDEREUQCSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 336626695 346480549 /nfs/dbraw/zinc/48/05/49/346480549.db2.gz LYNQFZPOSVLGTP-WDEREUQCSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 336626695 346480550 /nfs/dbraw/zinc/48/05/50/346480550.db2.gz LYNQFZPOSVLGTP-WDEREUQCSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 336626695 346480551 /nfs/dbraw/zinc/48/05/51/346480551.db2.gz LYNQFZPOSVLGTP-WDEREUQCSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 336626694 346480584 /nfs/dbraw/zinc/48/05/84/346480584.db2.gz LYNQFZPOSVLGTP-QWRGUYRKSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 336626694 346480585 /nfs/dbraw/zinc/48/05/85/346480585.db2.gz LYNQFZPOSVLGTP-QWRGUYRKSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 336626694 346480586 /nfs/dbraw/zinc/48/05/86/346480586.db2.gz LYNQFZPOSVLGTP-QWRGUYRKSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 336626694 346480587 /nfs/dbraw/zinc/48/05/87/346480587.db2.gz LYNQFZPOSVLGTP-QWRGUYRKSA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 336626693 346480607 /nfs/dbraw/zinc/48/06/07/346480607.db2.gz LYNQFZPOSVLGTP-MNOVXSKESA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 336626693 346480609 /nfs/dbraw/zinc/48/06/09/346480609.db2.gz LYNQFZPOSVLGTP-MNOVXSKESA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 336626693 346480610 /nfs/dbraw/zinc/48/06/10/346480610.db2.gz LYNQFZPOSVLGTP-MNOVXSKESA-N 2 1 184.327 1.811 10 0 ADAEMP CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 336626693 346480612 /nfs/dbraw/zinc/48/06/12/346480612.db2.gz LYNQFZPOSVLGTP-MNOVXSKESA-N 2 1 184.327 1.811 10 0 ADAEMP [NH3+]C/C=C1\CC[N@H+]2CCCC[C@@H]12 379321561 346495498 /nfs/dbraw/zinc/49/54/98/346495498.db2.gz DBOVGTJNRBKKPW-LLGDCAAFSA-N 2 1 166.268 1.130 10 0 ADAEMP [NH3+]C/C=C1\CC[N@H+]2CCCC[C@H]12 379321562 346495829 /nfs/dbraw/zinc/49/58/29/346495829.db2.gz DBOVGTJNRBKKPW-WXLQGSQKSA-N 2 1 166.268 1.130 10 0 ADAEMP CC1=CCC[N@@H+](C/C=C\C[NH3+])C1 379338410 346503030 /nfs/dbraw/zinc/50/30/30/346503030.db2.gz JUBKVIUORULWJB-IHWYPQMZSA-N 2 1 166.268 1.153 10 0 ADAEMP CC/C=C\C[N@@H+]1CCC[NH2+][C@H](C)C1 384773090 346539209 /nfs/dbraw/zinc/53/92/09/346539209.db2.gz SCJWGNLBQUSQMX-DOGVGXBMSA-N 2 1 182.311 1.636 10 0 ADAEMP CC/C=C\C[N@H+]1CCC[NH2+][C@H](C)C1 384773090 346539211 /nfs/dbraw/zinc/53/92/11/346539211.db2.gz SCJWGNLBQUSQMX-DOGVGXBMSA-N 2 1 182.311 1.636 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@@H]1C 384848422 346539977 /nfs/dbraw/zinc/53/99/77/346539977.db2.gz AZTASRXGSLOEKZ-QGDURGIVSA-N 2 1 196.338 1.881 10 0 ADAEMP C/C=C\C[N@@H+]1CC[C@H]([NH2+]C)[C@H](C)[C@H]1C 384848423 346540140 /nfs/dbraw/zinc/54/01/40/346540140.db2.gz AZTASRXGSLOEKZ-RRZDQKFSSA-N 2 1 196.338 1.881 10 0 ADAEMP C/C=C\C[NH2+][C@@H]1[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 384930766 346541603 /nfs/dbraw/zinc/54/16/03/346541603.db2.gz CXGLPPSHSCBDLT-MXXXRGSMSA-N 2 1 192.306 1.149 10 0 ADAEMP C/C=C\C[NH2+]C1CC[NH+](C2CC2)CC1 384939555 346541747 /nfs/dbraw/zinc/54/17/47/346541747.db2.gz DUBAGEFRTVQSRP-IHWYPQMZSA-N 2 1 194.322 1.779 10 0 ADAEMP C/C=C/C[NH2+]C1CC[NH+](C2CC2)CC1 384939577 346541810 /nfs/dbraw/zinc/54/18/10/346541810.db2.gz DUBAGEFRTVQSRP-NSCUHMNNSA-N 2 1 194.322 1.779 10 0 ADAEMP CCSCC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C 388521601 346559334 /nfs/dbraw/zinc/55/93/34/346559334.db2.gz XQJCKTZRTWRKFT-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CCSCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C 388521601 346559338 /nfs/dbraw/zinc/55/93/38/346559338.db2.gz XQJCKTZRTWRKFT-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP CC[NH+](CC)C[C@H](CC(C)C)[NH2+]C 392812466 346573978 /nfs/dbraw/zinc/57/39/78/346573978.db2.gz CPYUAXATOOCURZ-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH+](CC)C[C@@H](CC(C)C)[NH2+]C 392812464 346574233 /nfs/dbraw/zinc/57/42/33/346574233.db2.gz CPYUAXATOOCURZ-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC/C1=C/CC[NH3+] 395017517 346586270 /nfs/dbraw/zinc/58/62/70/346586270.db2.gz PNUIUYPEJMCHLA-SGRPLGENSA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC/C1=C/CC[NH3+] 395017516 346586283 /nfs/dbraw/zinc/58/62/83/346586283.db2.gz PNUIUYPEJMCHLA-BABIGQSTSA-N 2 1 168.284 1.233 10 0 ADAEMP CCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399000882 346596960 /nfs/dbraw/zinc/59/69/60/346596960.db2.gz CPEFCWXMXLZRNM-DCAQKATOSA-N 2 1 184.327 1.905 10 0 ADAEMP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 399020508 346596988 /nfs/dbraw/zinc/59/69/88/346596988.db2.gz HPTQRAHXXRLXED-USWWRNFRSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 399020506 346597113 /nfs/dbraw/zinc/59/71/13/346597113.db2.gz HPTQRAHXXRLXED-JLLWLGSASA-N 2 1 196.338 1.905 10 0 ADAEMP CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399000885 346597190 /nfs/dbraw/zinc/59/71/90/346597190.db2.gz CPEFCWXMXLZRNM-OUAUKWLOSA-N 2 1 184.327 1.905 10 0 ADAEMP CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399000887 346597256 /nfs/dbraw/zinc/59/72/56/346597256.db2.gz CPEFCWXMXLZRNM-VWYCJHECSA-N 2 1 184.327 1.905 10 0 ADAEMP CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399000884 346597262 /nfs/dbraw/zinc/59/72/62/346597262.db2.gz CPEFCWXMXLZRNM-GARJFASQSA-N 2 1 184.327 1.905 10 0 ADAEMP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CC1 399020504 346597303 /nfs/dbraw/zinc/59/73/03/346597303.db2.gz HPTQRAHXXRLXED-DLOVCJGASA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 399020510 346597420 /nfs/dbraw/zinc/59/74/20/346597420.db2.gz HPTQRAHXXRLXED-WCQGTBRESA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@H](C)CC2CC2)C[NH2+]1 399242109 346597951 /nfs/dbraw/zinc/59/79/51/346597951.db2.gz UNZSOFTYRLRDMH-CKYFFXLPSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H](C)C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399069935 346597998 /nfs/dbraw/zinc/59/79/98/346597998.db2.gz DIELHKFORZBNRJ-AXFHLTTASA-N 2 1 184.327 1.763 10 0 ADAEMP CC[C@H](C)C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399069938 346598082 /nfs/dbraw/zinc/59/80/82/346598082.db2.gz DIELHKFORZBNRJ-GARJFASQSA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C)CC2CC2)C[NH2+]1 399242114 346598121 /nfs/dbraw/zinc/59/81/21/346598121.db2.gz UNZSOFTYRLRDMH-FOGDFJRCSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H](C)C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399069937 346598208 /nfs/dbraw/zinc/59/82/08/346598208.db2.gz DIELHKFORZBNRJ-DCAQKATOSA-N 2 1 184.327 1.763 10 0 ADAEMP CC[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399069940 346598244 /nfs/dbraw/zinc/59/82/44/346598244.db2.gz DIELHKFORZBNRJ-HBNTYKKESA-N 2 1 184.327 1.763 10 0 ADAEMP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399242119 346598228 /nfs/dbraw/zinc/59/82/28/346598228.db2.gz UNZSOFTYRLRDMH-JFGNBEQYSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H](CC1CC1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399242122 346598804 /nfs/dbraw/zinc/59/88/04/346598804.db2.gz UNZSOFTYRLRDMH-SCVCMEIPSA-N 2 1 196.338 1.905 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]1CC[C@H]([NH3+])C1 401712288 346615655 /nfs/dbraw/zinc/61/56/55/346615655.db2.gz FITOCMCXUYOVHS-IUCAKERBSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@@H]1CC[C@H]([NH3+])C1 401712286 346615694 /nfs/dbraw/zinc/61/56/94/346615694.db2.gz FITOCMCXUYOVHS-BDAKNGLRSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]1CC[C@@H]([NH3+])C1 401712287 346615722 /nfs/dbraw/zinc/61/57/22/346615722.db2.gz FITOCMCXUYOVHS-DTWKUNHWSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@@H]1CC[C@@H]([NH3+])C1 401712289 346615780 /nfs/dbraw/zinc/61/57/80/346615780.db2.gz FITOCMCXUYOVHS-RKDXNWHRSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@@H]1CCC[C@H]1[NH3+] 401751792 346616353 /nfs/dbraw/zinc/61/63/53/346616353.db2.gz OLHZUFHTFSVBHE-WCBMZHEXSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]1CCC[C@H]1[NH3+] 401751789 346616472 /nfs/dbraw/zinc/61/64/72/346616472.db2.gz OLHZUFHTFSVBHE-PSASIEDQSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@H]1CCC[C@@H]1[NH3+] 401751791 346616476 /nfs/dbraw/zinc/61/64/76/346616476.db2.gz OLHZUFHTFSVBHE-SCZZXKLOSA-N 2 1 179.267 1.090 10 0 ADAEMP Cn1c[nH+]cc1C[C@@H]1CCC[C@@H]1[NH3+] 401751793 346616632 /nfs/dbraw/zinc/61/66/32/346616632.db2.gz OLHZUFHTFSVBHE-WPRPVWTQSA-N 2 1 179.267 1.090 10 0 ADAEMP C[Si](C)(C)C[N@H+]1C[C@@H]2C[C@H](C1)C2[NH3+] 401752245 346616648 /nfs/dbraw/zinc/61/66/48/346616648.db2.gz QWNIRHAZKPSNME-ULKQDVFKSA-N 2 1 198.386 1.143 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC2)C1 401786736 346617617 /nfs/dbraw/zinc/61/76/17/346617617.db2.gz DTCGXBDQSJMZAT-PSASIEDQSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC2)C1 401786743 346617802 /nfs/dbraw/zinc/61/78/02/346617802.db2.gz DTCGXBDQSJMZAT-WPRPVWTQSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC2)C1 401786738 346617835 /nfs/dbraw/zinc/61/78/35/346617835.db2.gz DTCGXBDQSJMZAT-SCZZXKLOSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC2)C1 401786740 346617875 /nfs/dbraw/zinc/61/78/75/346617875.db2.gz DTCGXBDQSJMZAT-WCBMZHEXSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC2(C)C)C1 401872096 346620854 /nfs/dbraw/zinc/62/08/54/346620854.db2.gz LKKYXLBUSSAYFW-AEJSXWLSSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC2(C)C)C1 401872099 346621083 /nfs/dbraw/zinc/62/10/83/346621083.db2.gz LKKYXLBUSSAYFW-IVZWLZJFSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CC2(C)C)C1 401872100 346621184 /nfs/dbraw/zinc/62/11/84/346621184.db2.gz LKKYXLBUSSAYFW-LPEHRKFASA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CC2(C)C)C1 401872098 346621214 /nfs/dbraw/zinc/62/12/14/346621214.db2.gz LKKYXLBUSSAYFW-GUBZILKMSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CC=CC2)C1 401875131 346621472 /nfs/dbraw/zinc/62/14/72/346621472.db2.gz MXFNUZFYEHSZEE-KOLCDFICSA-N 2 1 180.295 1.293 10 0 ADAEMP CC1CC([NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)C1 401881261 346621588 /nfs/dbraw/zinc/62/15/88/346621588.db2.gz QLJGFPBZCTVJMK-YIYTYNFBSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CC=CC2)C1 401875132 346621673 /nfs/dbraw/zinc/62/16/73/346621673.db2.gz MXFNUZFYEHSZEE-MWLCHTKSSA-N 2 1 180.295 1.293 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CC=CC2)C1 401875133 346621699 /nfs/dbraw/zinc/62/16/99/346621699.db2.gz MXFNUZFYEHSZEE-ONGXEEELSA-N 2 1 180.295 1.293 10 0 ADAEMP CC1CC([NH2+][C@H]2C[NH2+]C[C@H](C)C2)C1 401881258 346621742 /nfs/dbraw/zinc/62/17/42/346621742.db2.gz QLJGFPBZCTVJMK-VGRIYTJTSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CC=CC2)C1 401875130 346621912 /nfs/dbraw/zinc/62/19/12/346621912.db2.gz MXFNUZFYEHSZEE-GXSJLCMTSA-N 2 1 180.295 1.293 10 0 ADAEMP CC1CC([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 401881255 346621923 /nfs/dbraw/zinc/62/19/23/346621923.db2.gz QLJGFPBZCTVJMK-DJRKXVOMSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@](F)([C@@H]2CCC[NH2+]2)C1 401884576 346622413 /nfs/dbraw/zinc/62/24/13/346622413.db2.gz SGLBKMFQRGOCOX-GUBZILKMSA-N 2 1 186.274 1.076 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@](F)([C@H]2CCC[NH2+]2)C1 401884575 346622487 /nfs/dbraw/zinc/62/24/87/346622487.db2.gz SGLBKMFQRGOCOX-AEJSXWLSSA-N 2 1 186.274 1.076 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@](F)([C@@H]2CCC[NH2+]2)C1 401884578 346622519 /nfs/dbraw/zinc/62/25/19/346622519.db2.gz SGLBKMFQRGOCOX-LPEHRKFASA-N 2 1 186.274 1.076 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@](F)([C@H]2CCC[NH2+]2)C1 401884577 346622565 /nfs/dbraw/zinc/62/25/65/346622565.db2.gz SGLBKMFQRGOCOX-IVZWLZJFSA-N 2 1 186.274 1.076 10 0 ADAEMP Cn1c[nH+]cc1CC1([NH3+])CCCC1 401882956 346622643 /nfs/dbraw/zinc/62/26/43/346622643.db2.gz RKCRUHURYBXGFC-UHFFFAOYSA-N 2 1 179.267 1.234 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@H]2C)C1 401893178 346623073 /nfs/dbraw/zinc/62/30/73/346623073.db2.gz ZAYYJNXUNQGIEL-ZDCRXTMVSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCCC2)C1 401893337 346623104 /nfs/dbraw/zinc/62/31/04/346623104.db2.gz ZJHPPOVUZUPXPK-GXSJLCMTSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1 401893176 346623132 /nfs/dbraw/zinc/62/31/32/346623132.db2.gz ZAYYJNXUNQGIEL-UKKRHICBSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@@H]2C)C1 401893174 346623158 /nfs/dbraw/zinc/62/31/58/346623158.db2.gz ZAYYJNXUNQGIEL-MMWGEVLESA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCCC2)C1 401893342 346623291 /nfs/dbraw/zinc/62/32/91/346623291.db2.gz ZJHPPOVUZUPXPK-ONGXEEELSA-N 2 1 182.311 1.517 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H]2C)C1 401893173 346623317 /nfs/dbraw/zinc/62/33/17/346623317.db2.gz ZAYYJNXUNQGIEL-LNFKQOIKSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCCC2)C1 401893340 346623348 /nfs/dbraw/zinc/62/33/48/346623348.db2.gz ZJHPPOVUZUPXPK-MWLCHTKSSA-N 2 1 182.311 1.517 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@H]3C[C@H]3C2)C1 403163503 346633870 /nfs/dbraw/zinc/63/38/70/346633870.db2.gz AVBYJCJCSYOWQO-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@H]3C[C@H]3C2)C1 403163503 346633871 /nfs/dbraw/zinc/63/38/71/346633871.db2.gz AVBYJCJCSYOWQO-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403163500 346634031 /nfs/dbraw/zinc/63/40/31/346634031.db2.gz AVBYJCJCSYOWQO-GWOFURMSSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CC[C@@H]3C[C@@H]3C2)C1 403163500 346634033 /nfs/dbraw/zinc/63/40/33/346634033.db2.gz AVBYJCJCSYOWQO-GWOFURMSSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C)[C@H]1CC[NH3+] 404358335 346641149 /nfs/dbraw/zinc/64/11/49/346641149.db2.gz DFKDFVCDVWDFDV-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1CCC[N@@H+](C)[C@H]1CC[NH3+] 404358344 346641186 /nfs/dbraw/zinc/64/11/86/346641186.db2.gz DFKDFVCDVWDFDV-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1CCC[N@@H+](C)[C@@H]1CC[NH3+] 404358342 346641279 /nfs/dbraw/zinc/64/12/79/346641279.db2.gz DFKDFVCDVWDFDV-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C)[C@@H]1CC[NH3+] 404358351 346641320 /nfs/dbraw/zinc/64/13/20/346641320.db2.gz DFKDFVCDVWDFDV-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1C[C@@H]([NH3+])C12CCC2 404646782 346648088 /nfs/dbraw/zinc/64/80/88/346648088.db2.gz LULKDWGKCGFTGR-OPRDCNLKSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1C[C@H]([NH3+])C12CCC2 404646776 346648129 /nfs/dbraw/zinc/64/81/29/346648129.db2.gz LULKDWGKCGFTGR-KXUCPTDWSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1C[C@@H]([NH3+])C12CCC2 404646772 346648146 /nfs/dbraw/zinc/64/81/46/346648146.db2.gz LULKDWGKCGFTGR-BBBLOLIVSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1C[C@H]([NH3+])C12CCC2 404646786 346648210 /nfs/dbraw/zinc/64/82/10/346648210.db2.gz LULKDWGKCGFTGR-UTLUCORTSA-N 2 1 180.295 1.351 10 0 ADAEMP CC[N@H+]1Cc2cccc(C[NH3+])c2C1 405074457 346656530 /nfs/dbraw/zinc/65/65/30/346656530.db2.gz ZYNPXIHYTKEQDR-UHFFFAOYSA-N 2 1 176.263 1.481 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1C[C@H]([NH3+])C1(C)C 405221696 346660565 /nfs/dbraw/zinc/66/05/65/346660565.db2.gz BBFZDLXLVXXMLQ-DTWKUNHWSA-N 2 1 170.300 1.452 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1C[C@@H]([NH3+])C1(C)C 405221701 346660292 /nfs/dbraw/zinc/66/02/92/346660292.db2.gz BBFZDLXLVXXMLQ-RKDXNWHRSA-N 2 1 170.300 1.452 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1C[C@@H]([NH3+])C1(C)C 405221695 346660437 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CC[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621783612 347234752 /nfs/dbraw/zinc/23/47/52/347234752.db2.gz DINPRNYCZAGZNJ-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621783613 347234882 /nfs/dbraw/zinc/23/48/82/347234882.db2.gz DINPRNYCZAGZNJ-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 622044409 347236378 /nfs/dbraw/zinc/23/63/78/347236378.db2.gz FEEMTAZZYRPQGN-ADPBJBESSA-N 2 1 196.338 1.620 10 0 ADAEMP CC1CC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 622044411 347236399 /nfs/dbraw/zinc/23/63/99/347236399.db2.gz FEEMTAZZYRPQGN-RSJDFQLWSA-N 2 1 196.338 1.620 10 0 ADAEMP CC1CC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 622044412 347236443 /nfs/dbraw/zinc/23/64/43/347236443.db2.gz FEEMTAZZYRPQGN-RUJICJSRSA-N 2 1 196.338 1.620 10 0 ADAEMP CC1CC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 622044410 347236701 /nfs/dbraw/zinc/23/67/01/347236701.db2.gz FEEMTAZZYRPQGN-POSLAHMBSA-N 2 1 196.338 1.620 10 0 ADAEMP Cn1c[nH+]cc1CC[NH2+]CC1(F)CC1 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/nfs/dbraw/zinc/35/17/54/347351754.db2.gz KYJJMZRTKGUJQL-KXMPLOMGSA-N 2 1 182.311 1.623 10 0 ADAEMP C/C=C\C[C@@H]1CCC[N@H+](CCN)C1 629595208 347351791 /nfs/dbraw/zinc/35/17/91/347351791.db2.gz KYJJMZRTKGUJQL-OTDNITJGSA-N 2 1 182.311 1.623 10 0 ADAEMP C/C=C\C[C@@H]1CCC[N@H+](CC[NH3+])C1 629595208 347351796 /nfs/dbraw/zinc/35/17/96/347351796.db2.gz KYJJMZRTKGUJQL-OTDNITJGSA-N 2 1 182.311 1.623 10 0 ADAEMP C/C=C\C[C@@H]1CCC[N@@H+](CC[NH3+])C1 629595208 347351798 /nfs/dbraw/zinc/35/17/98/347351798.db2.gz KYJJMZRTKGUJQL-OTDNITJGSA-N 2 1 182.311 1.623 10 0 ADAEMP C[C@@]12C[NH2+]C[C@]1(C)C[N@H+](CC1CC1)C2 629596408 347351876 /nfs/dbraw/zinc/35/18/76/347351876.db2.gz YGSITISPLVTGJL-TXEJJXNPSA-N 2 1 194.322 1.328 10 0 ADAEMP C[NH2+]CCC[N@H+]1CCCC2(CC1)CC2 629585934 347351907 /nfs/dbraw/zinc/35/19/07/347351907.db2.gz HRZMXYUSMDSQFU-UHFFFAOYSA-N 2 1 196.338 1.862 10 0 ADAEMP CC(C)C[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 629583392 347352015 /nfs/dbraw/zinc/35/20/15/347352015.db2.gz AUDQEUXJBVBBPQ-TXEJJXNPSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1CCCC2(CC1)CC2 629669565 347355152 /nfs/dbraw/zinc/35/51/52/347355152.db2.gz YECFDKCBUFIRQK-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CCCC2(CC1)CC2 629669565 347355156 /nfs/dbraw/zinc/35/51/56/347355156.db2.gz YECFDKCBUFIRQK-UHFFFAOYSA-N 2 1 196.338 1.990 10 0 ADAEMP C[NH+]1CCC([NH2+]CC(C)(C)F)CC1 631191137 347377958 /nfs/dbraw/zinc/37/79/58/347377958.db2.gz PDUIRECRJZIDOF-UHFFFAOYSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1C[NH3+] 631836643 347388486 /nfs/dbraw/zinc/38/84/86/347388486.db2.gz DDEJJNQVWCQGDI-KOLCDFICSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCCC2)C[C@H]1C[NH3+] 631837440 347388499 /nfs/dbraw/zinc/38/84/99/347388499.db2.gz BMIJLWABXVZJSU-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1C[NH3+] 631836645 347388539 /nfs/dbraw/zinc/38/85/39/347388539.db2.gz DDEJJNQVWCQGDI-ONGXEEELSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1C[NH3+] 631837237 347388611 /nfs/dbraw/zinc/38/86/11/347388611.db2.gz PPGBGKOUWURJSA-ZYHUDNBSSA-N 2 1 194.322 1.479 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CCC2)C[C@@H]1C[NH3+] 631836781 347388647 /nfs/dbraw/zinc/38/86/47/347388647.db2.gz GRIHXRAYFCKUQK-PWSUYJOCSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] 631836779 347388662 /nfs/dbraw/zinc/38/86/62/347388662.db2.gz GRIHXRAYFCKUQK-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP CCC(CC)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631836670 347388686 /nfs/dbraw/zinc/38/86/86/347388686.db2.gz DWRFDQIZYJJCIE-ZYHUDNBSSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC=CC2)C[C@H]1C[NH3+] 631837234 347388728 /nfs/dbraw/zinc/38/87/28/347388728.db2.gz PPGBGKOUWURJSA-CMPLNLGQSA-N 2 1 194.322 1.479 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C[NH3+] 631837443 347388767 /nfs/dbraw/zinc/38/87/67/347388767.db2.gz BMIJLWABXVZJSU-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1C[NH3+] 631837442 347388810 /nfs/dbraw/zinc/38/88/10/347388810.db2.gz BMIJLWABXVZJSU-PWSUYJOCSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631836503 347388847 /nfs/dbraw/zinc/38/88/47/347388847.db2.gz ALKDCUMXUNQGJF-VWYCJHECSA-N 2 1 184.327 1.558 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631836502 347388912 /nfs/dbraw/zinc/38/89/12/347388912.db2.gz ALKDCUMXUNQGJF-OUAUKWLOSA-N 2 1 184.327 1.558 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCCC2)C[C@@H]1C[NH3+] 631837441 347388966 /nfs/dbraw/zinc/38/89/66/347388966.db2.gz BMIJLWABXVZJSU-JQWIXIFHSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631836500 347389003 /nfs/dbraw/zinc/38/90/03/347389003.db2.gz ALKDCUMXUNQGJF-DCAQKATOSA-N 2 1 184.327 1.558 10 0 ADAEMP CCC(CC)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631836668 347389013 /nfs/dbraw/zinc/38/90/13/347389013.db2.gz DWRFDQIZYJJCIE-JQWIXIFHSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1C[NH3+] 631837235 347389021 /nfs/dbraw/zinc/38/90/21/347389021.db2.gz PPGBGKOUWURJSA-JQWIXIFHSA-N 2 1 194.322 1.479 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCC2)C[C@H]1C[NH3+] 631836642 347389081 /nfs/dbraw/zinc/38/90/81/347389081.db2.gz DDEJJNQVWCQGDI-GXSJLCMTSA-N 2 1 182.311 1.313 10 0 ADAEMP CCC(CC)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631836667 347389089 /nfs/dbraw/zinc/38/90/89/347389089.db2.gz DWRFDQIZYJJCIE-CMPLNLGQSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@@H]1C[NH3+] 631836970 347389169 /nfs/dbraw/zinc/38/91/69/347389169.db2.gz KRKCKNIWJMVNGI-VLEAKVRGSA-N 2 1 182.311 1.169 10 0 ADAEMP CC(C)=CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631837718 347389179 /nfs/dbraw/zinc/38/91/79/347389179.db2.gz WNBRGCALVITSPO-RYUDHWBXSA-N 2 1 196.338 1.869 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1C[NH3+] 631836782 347389188 /nfs/dbraw/zinc/38/91/88/347389188.db2.gz GRIHXRAYFCKUQK-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C[NH3+] 631836644 347389232 /nfs/dbraw/zinc/38/92/32/347389232.db2.gz DDEJJNQVWCQGDI-MWLCHTKSSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)=CCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631837716 347389253 /nfs/dbraw/zinc/38/92/53/347389253.db2.gz WNBRGCALVITSPO-NEPJUHHUSA-N 2 1 196.338 1.869 10 0 ADAEMP CC(C)=CCC[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631837719 347389318 /nfs/dbraw/zinc/38/93/18/347389318.db2.gz WNBRGCALVITSPO-VXGBXAGGSA-N 2 1 196.338 1.869 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1C[NH3+] 631837236 347389330 /nfs/dbraw/zinc/38/93/30/347389330.db2.gz PPGBGKOUWURJSA-PWSUYJOCSA-N 2 1 194.322 1.479 10 0 ADAEMP CCC(CC)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631836669 347389346 /nfs/dbraw/zinc/38/93/46/347389346.db2.gz DWRFDQIZYJJCIE-PWSUYJOCSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631836501 347389360 /nfs/dbraw/zinc/38/93/60/347389360.db2.gz ALKDCUMXUNQGJF-GARJFASQSA-N 2 1 184.327 1.558 10 0 ADAEMP CC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631838654 347389811 /nfs/dbraw/zinc/38/98/11/347389811.db2.gz SKIYOIVQQRQUKH-DCAQKATOSA-N 2 1 184.327 1.559 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631842822 347389903 /nfs/dbraw/zinc/38/99/03/347389903.db2.gz GIDUGFXMCRQQHM-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631838656 347389959 /nfs/dbraw/zinc/38/99/59/347389959.db2.gz SKIYOIVQQRQUKH-HBNTYKKESA-N 2 1 184.327 1.559 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631838653 347390002 /nfs/dbraw/zinc/39/00/02/347390002.db2.gz SKIYOIVQQRQUKH-AXFHLTTASA-N 2 1 184.327 1.559 10 0 ADAEMP CCCCC[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631845000 347390164 /nfs/dbraw/zinc/39/01/64/347390164.db2.gz RFHSRBIUQOGCAU-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631844316 347390184 /nfs/dbraw/zinc/39/01/84/347390184.db2.gz HQIWPOARAUEFFL-ZJUUUORDSA-N 2 1 170.300 1.169 10 0 ADAEMP CC(C)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631844314 347390231 /nfs/dbraw/zinc/39/02/31/347390231.db2.gz HQIWPOARAUEFFL-UWVGGRQHSA-N 2 1 170.300 1.169 10 0 ADAEMP CCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631845003 347390273 /nfs/dbraw/zinc/39/02/73/347390273.db2.gz RFHSRBIUQOGCAU-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)CC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631843720 347390352 /nfs/dbraw/zinc/39/03/52/347390352.db2.gz ADWKMXKJMFJTET-WDEREUQCSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631844315 347390385 /nfs/dbraw/zinc/39/03/85/347390385.db2.gz HQIWPOARAUEFFL-VHSXEESVSA-N 2 1 170.300 1.169 10 0 ADAEMP CCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631842821 347390405 /nfs/dbraw/zinc/39/04/05/347390405.db2.gz GIDUGFXMCRQQHM-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631838979 347390421 /nfs/dbraw/zinc/39/04/21/347390421.db2.gz XZIOLOOPHNRFJY-GUBZILKMSA-N 2 1 170.300 1.312 10 0 ADAEMP CCCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631845002 347390437 /nfs/dbraw/zinc/39/04/37/347390437.db2.gz RFHSRBIUQOGCAU-QWRGUYRKSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631838981 347390506 /nfs/dbraw/zinc/39/05/06/347390506.db2.gz XZIOLOOPHNRFJY-LPEHRKFASA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631838982 347390524 /nfs/dbraw/zinc/39/05/24/347390524.db2.gz XZIOLOOPHNRFJY-UTLUCORTSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631843718 347390564 /nfs/dbraw/zinc/39/05/64/347390564.db2.gz ADWKMXKJMFJTET-MNOVXSKESA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631843717 347390608 /nfs/dbraw/zinc/39/06/08/347390608.db2.gz ADWKMXKJMFJTET-GHMZBOCLSA-N 2 1 184.327 1.559 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631844313 347390615 /nfs/dbraw/zinc/39/06/15/347390615.db2.gz HQIWPOARAUEFFL-NXEZZACHSA-N 2 1 170.300 1.169 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 631838655 347390650 /nfs/dbraw/zinc/39/06/50/347390650.db2.gz SKIYOIVQQRQUKH-GARJFASQSA-N 2 1 184.327 1.559 10 0 ADAEMP CCCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 631845001 347390669 /nfs/dbraw/zinc/39/06/69/347390669.db2.gz RFHSRBIUQOGCAU-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631843719 347390690 /nfs/dbraw/zinc/39/06/90/347390690.db2.gz ADWKMXKJMFJTET-QWRGUYRKSA-N 2 1 184.327 1.559 10 0 ADAEMP CCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 631842820 347390710 /nfs/dbraw/zinc/39/07/10/347390710.db2.gz GIDUGFXMCRQQHM-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 631862578 347392401 /nfs/dbraw/zinc/39/24/01/347392401.db2.gz RDDYQIGMOCQNDE-ZIQFBCGOSA-N 2 1 194.322 1.454 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 631862578 347392405 /nfs/dbraw/zinc/39/24/05/347392405.db2.gz RDDYQIGMOCQNDE-ZIQFBCGOSA-N 2 1 194.322 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CC(C)(C)C1 631862234 347392458 /nfs/dbraw/zinc/39/24/58/347392458.db2.gz NJUWOMBKKMZYRB-MWLCHTKSSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CC(C)(C)C1 631862234 347392461 /nfs/dbraw/zinc/39/24/61/347392461.db2.gz NJUWOMBKKMZYRB-MWLCHTKSSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CC(C)(C)C1 631862230 347392697 /nfs/dbraw/zinc/39/26/97/347392697.db2.gz NJUWOMBKKMZYRB-GXSJLCMTSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CC(C)(C)C1 631862230 347392699 /nfs/dbraw/zinc/39/26/99/347392699.db2.gz NJUWOMBKKMZYRB-GXSJLCMTSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CC(C)(C)C1 631862232 347392919 /nfs/dbraw/zinc/39/29/19/347392919.db2.gz NJUWOMBKKMZYRB-KOLCDFICSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CC(C)(C)C1 631862232 347392921 /nfs/dbraw/zinc/39/29/21/347392921.db2.gz NJUWOMBKKMZYRB-KOLCDFICSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CC(C)(C)C1 631862240 347392931 /nfs/dbraw/zinc/39/29/31/347392931.db2.gz NJUWOMBKKMZYRB-ONGXEEELSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CC(C)(C)C1 631862240 347392932 /nfs/dbraw/zinc/39/29/32/347392932.db2.gz NJUWOMBKKMZYRB-ONGXEEELSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 631862577 347392950 /nfs/dbraw/zinc/39/29/50/347392950.db2.gz RDDYQIGMOCQNDE-RMPHRYRLSA-N 2 1 194.322 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 631862577 347392951 /nfs/dbraw/zinc/39/29/51/347392951.db2.gz RDDYQIGMOCQNDE-RMPHRYRLSA-N 2 1 194.322 1.454 10 0 ADAEMP C1C[C@@H]2C[NH2+]CC[C@@H]2[N@@H+](CC2CC2)C1 631891407 347393236 /nfs/dbraw/zinc/39/32/36/347393236.db2.gz YXXOGUPQPBMDNA-NEPJUHHUSA-N 2 1 194.322 1.470 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 631884713 347393289 /nfs/dbraw/zinc/39/32/89/347393289.db2.gz NJYACVYKZATJMG-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C1C[C@H]2C[NH2+]CC[C@H]2[N@@H+](CC2CC2)C1 631891408 347393350 /nfs/dbraw/zinc/39/33/50/347393350.db2.gz YXXOGUPQPBMDNA-NWDGAFQWSA-N 2 1 194.322 1.470 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 631884715 347393385 /nfs/dbraw/zinc/39/33/85/347393385.db2.gz NJYACVYKZATJMG-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 631883652 347393411 /nfs/dbraw/zinc/39/34/11/347393411.db2.gz AMVDWXVEMPFHSY-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 631884718 347393435 /nfs/dbraw/zinc/39/34/35/347393435.db2.gz NJYACVYKZATJMG-VXGBXAGGSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 631883737 347393502 /nfs/dbraw/zinc/39/35/02/347393502.db2.gz BUYLRCFRIOIQQW-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 631883658 347393572 /nfs/dbraw/zinc/39/35/72/347393572.db2.gz AMVDWXVEMPFHSY-RYUDHWBXSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 631883739 347393647 /nfs/dbraw/zinc/39/36/47/347393647.db2.gz BUYLRCFRIOIQQW-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 631883738 347393663 /nfs/dbraw/zinc/39/36/63/347393663.db2.gz BUYLRCFRIOIQQW-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 631883740 347393699 /nfs/dbraw/zinc/39/36/99/347393699.db2.gz BUYLRCFRIOIQQW-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C1C[C@H]2C[NH2+]CC[C@@H]2[N@@H+](CC2CC2)C1 631891409 347393706 /nfs/dbraw/zinc/39/37/06/347393706.db2.gz YXXOGUPQPBMDNA-RYUDHWBXSA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 631883650 347393730 /nfs/dbraw/zinc/39/37/30/347393730.db2.gz AMVDWXVEMPFHSY-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP CCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 631884716 347393737 /nfs/dbraw/zinc/39/37/37/347393737.db2.gz NJYACVYKZATJMG-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 631883659 347393774 /nfs/dbraw/zinc/39/37/74/347393774.db2.gz AMVDWXVEMPFHSY-VXGBXAGGSA-N 2 1 196.338 1.716 10 0 ADAEMP C1C[C@@H]2C[NH2+]CC[C@H]2[N@@H+](CC2CC2)C1 631891410 347393788 /nfs/dbraw/zinc/39/37/88/347393788.db2.gz YXXOGUPQPBMDNA-VXGBXAGGSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CC2)C[C@H]1C[NH3+] 634998881 347435037 /nfs/dbraw/zinc/43/50/37/347435037.db2.gz MGQDGIWSHPMBMT-VHSXEESVSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1C[NH3+] 634998106 347435081 /nfs/dbraw/zinc/43/50/81/347435081.db2.gz ASEKCPCAUGKKQD-GHMZBOCLSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1C[NH3+] 634998109 347435088 /nfs/dbraw/zinc/43/50/88/347435088.db2.gz ASEKCPCAUGKKQD-WDEREUQCSA-N 2 1 196.338 1.703 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH2+][C@H]2CCCC23CC3)C1 634998083 347435132 /nfs/dbraw/zinc/43/51/32/347435132.db2.gz AIKSDRVNIOWMPT-QWRGUYRKSA-N 2 1 194.322 1.661 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@@H]1C[NH3+] 634998107 347435173 /nfs/dbraw/zinc/43/51/73/347435173.db2.gz ASEKCPCAUGKKQD-MNOVXSKESA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@@H]1C[NH3+] 634998882 347435216 /nfs/dbraw/zinc/43/52/16/347435216.db2.gz MGQDGIWSHPMBMT-ZJUUUORDSA-N 2 1 182.311 1.313 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 634998543 347435295 /nfs/dbraw/zinc/43/52/95/347435295.db2.gz HCOUZPLJRXSZHB-SRVKXCTJSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CC2)C[C@@H]1C[NH3+] 634998880 347435316 /nfs/dbraw/zinc/43/53/16/347435316.db2.gz MGQDGIWSHPMBMT-UWVGGRQHSA-N 2 1 182.311 1.313 10 0 ADAEMP CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 634998544 347435326 /nfs/dbraw/zinc/43/53/26/347435326.db2.gz HCOUZPLJRXSZHB-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@H]2CCCC23CC3)C1 634998082 347435358 /nfs/dbraw/zinc/43/53/58/347435358.db2.gz AIKSDRVNIOWMPT-MNOVXSKESA-N 2 1 194.322 1.661 10 0 ADAEMP CCC[C@H](C)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 634998542 347435390 /nfs/dbraw/zinc/43/53/90/347435390.db2.gz HCOUZPLJRXSZHB-SDDRHHMPSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[N@@H+](CC2(C)CCC2)C[C@@H]1C[NH3+] 634998108 347435464 /nfs/dbraw/zinc/43/54/64/347435464.db2.gz ASEKCPCAUGKKQD-QWRGUYRKSA-N 2 1 196.338 1.703 10 0 ADAEMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 634998084 347435503 /nfs/dbraw/zinc/43/55/03/347435503.db2.gz AIKSDRVNIOWMPT-WDEREUQCSA-N 2 1 194.322 1.661 10 0 ADAEMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CCCC23CC3)C1 634998081 347435536 /nfs/dbraw/zinc/43/55/36/347435536.db2.gz AIKSDRVNIOWMPT-GHMZBOCLSA-N 2 1 194.322 1.661 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C[NH3+] 634998967 347435556 /nfs/dbraw/zinc/43/55/56/347435556.db2.gz NVJVVXIXDCCDJW-GHMZBOCLSA-N 2 1 198.354 1.949 10 0 ADAEMP CCC[C@H](C)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 634998541 347435572 /nfs/dbraw/zinc/43/55/72/347435572.db2.gz HCOUZPLJRXSZHB-QJPTWQEYSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 634998672 347435598 /nfs/dbraw/zinc/43/55/98/347435598.db2.gz JGHTZBSOBHLXHZ-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)CCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C1 634998673 347435631 /nfs/dbraw/zinc/43/56/31/347435631.db2.gz JGHTZBSOBHLXHZ-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)CCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 634998671 347435661 /nfs/dbraw/zinc/43/56/61/347435661.db2.gz JGHTZBSOBHLXHZ-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)CCC[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 634998674 347435696 /nfs/dbraw/zinc/43/56/96/347435696.db2.gz JGHTZBSOBHLXHZ-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1C[NH3+] 634998969 347436366 /nfs/dbraw/zinc/43/63/66/347436366.db2.gz NVJVVXIXDCCDJW-QWRGUYRKSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C[NH3+] 634998970 347436540 /nfs/dbraw/zinc/43/65/40/347436540.db2.gz NVJVVXIXDCCDJW-WDEREUQCSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CCCCC[NH3+] 4226771 351325865 /nfs/dbraw/zinc/32/58/65/351325865.db2.gz POJYFAOROQXOSV-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CCCCC[NH3+])C1 4226775 351325916 /nfs/dbraw/zinc/32/59/16/351325916.db2.gz DWCHDLFROZSUPF-LLVKDONJSA-N 2 1 184.327 1.847 10 0 ADAEMP C[C@@H]1C[C@@](C)([NH+](C)C)[C@H](C)C[N@H+]1C 4311840 351327634 /nfs/dbraw/zinc/32/76/34/351327634.db2.gz BYGSDTVASMACLN-GMTAPVOTSA-N 2 1 184.327 1.667 10 0 ADAEMP C[C@@H]1C[C@](C)([NH+](C)C)[C@H](C)C[N@H+]1C 4311842 351327670 /nfs/dbraw/zinc/32/76/70/351327670.db2.gz BYGSDTVASMACLN-MXWKQRLJSA-N 2 1 184.327 1.667 10 0 ADAEMP C[C@H]1CCCC[N@@H+]1C[C@H](C)C[NH3+] 11822416 351360938 /nfs/dbraw/zinc/36/09/38/351360938.db2.gz PGXBSYYCBMTSLT-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H](C[NH+]2CCCC2)C1 34491472 351441470 /nfs/dbraw/zinc/44/14/70/351441470.db2.gz GMVARXOFYHTZNI-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C[NH+]2CCCC2)C1 34491470 351441490 /nfs/dbraw/zinc/44/14/90/351441490.db2.gz GMVARXOFYHTZNI-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CCC[C@@H](C[NH+]2CCCC2)[NH2+]1 34474910 351441639 /nfs/dbraw/zinc/44/16/39/351441639.db2.gz GYERECBWVQFHTG-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[C@H](C[NH+]2CCCC2)[NH2+]1 34474908 351441896 /nfs/dbraw/zinc/44/18/96/351441896.db2.gz GYERECBWVQFHTG-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H](c1ccco1)[N@H+]1CC[C@H](C[NH3+])C1 35739414 351453555 /nfs/dbraw/zinc/45/35/55/351453555.db2.gz KUYORPNWCFTDMJ-VHSXEESVSA-N 2 1 194.278 1.621 10 0 ADAEMP C[C@@H]1CCC[N@H+](C[C@@H](C)C(N)=[NH2+])C1 36677987 351458870 /nfs/dbraw/zinc/45/88/70/351458870.db2.gz WEHRDRQSKIWISP-RKDXNWHRSA-N 2 1 183.299 1.290 10 0 ADAEMP C[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)C2CC2)C1 37080927 351462448 /nfs/dbraw/zinc/46/24/48/351462448.db2.gz KAQPBKGFKLZOTR-DVVUODLYSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)C1 37255838 351465388 /nfs/dbraw/zinc/46/53/88/351465388.db2.gz TUMGQGHHBIUDKB-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)C1 37255838 351465393 /nfs/dbraw/zinc/46/53/93/351465393.db2.gz TUMGQGHHBIUDKB-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@H]([NH3+])C2)C1 37255834 351465482 /nfs/dbraw/zinc/46/54/82/351465482.db2.gz TUMGQGHHBIUDKB-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C 37910651 351475423 /nfs/dbraw/zinc/47/54/23/351475423.db2.gz SMAACAJKPYKLJT-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])C(C)(C)C 37910651 351475426 /nfs/dbraw/zinc/47/54/26/351475426.db2.gz SMAACAJKPYKLJT-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[NH2+]1 37911178 351475812 /nfs/dbraw/zinc/47/58/12/351475812.db2.gz MSZIHPPKVYJJCQ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCCC[NH2+]1 37911178 351475815 /nfs/dbraw/zinc/47/58/15/351475815.db2.gz MSZIHPPKVYJJCQ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 37910129 351475972 /nfs/dbraw/zinc/47/59/72/351475972.db2.gz NVTJDMPTFVORPE-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1CCC([NH3+])CC1 37911226 351475985 /nfs/dbraw/zinc/47/59/85/351475985.db2.gz CESBLXXXNSUMHW-VOMCLLRMSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC1([NH3+])CCCC1 37911236 351476146 /nfs/dbraw/zinc/47/61/46/351476146.db2.gz IYTYYAPQPGTJJV-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])C(C)(C)C)C1 40717927 351509793 /nfs/dbraw/zinc/50/97/93/351509793.db2.gz AKMYFMILJYYMNS-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])C(C)(C)C)C1 40717927 351509798 /nfs/dbraw/zinc/50/97/98/351509798.db2.gz AKMYFMILJYYMNS-ZJUUUORDSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 40718455 351510037 /nfs/dbraw/zinc/51/00/37/351510037.db2.gz RLCDEUHEIAHPMM-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2CCC([NH3+])CC2)C1 40725353 351510068 /nfs/dbraw/zinc/51/00/68/351510068.db2.gz MOXXDLQQOCIPIQ-VOMCLLRMSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH2+]2)C1 40725247 351510275 /nfs/dbraw/zinc/51/02/75/351510275.db2.gz PNVFAEUEVIJQJC-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2([NH3+])CCCCC2)C1 40725306 351510227 /nfs/dbraw/zinc/51/02/27/351510227.db2.gz URCYBABXZCTCOK-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]2)C1 40725247 351510279 /nfs/dbraw/zinc/51/02/79/351510279.db2.gz PNVFAEUEVIJQJC-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2([NH3+])CCCC2)C1 40725337 351510841 /nfs/dbraw/zinc/51/08/41/351510841.db2.gz UHHFYKDWFNYBTB-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CC[C@@H](C)C1 41053900 351515797 /nfs/dbraw/zinc/51/57/97/351515797.db2.gz OCPUPUAXKCFMJC-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]1 42172198 351519502 /nfs/dbraw/zinc/51/95/02/351519502.db2.gz JCKDLCRNTDPXJJ-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 42171754 351519942 /nfs/dbraw/zinc/51/99/42/351519942.db2.gz KNHNLHMRNRBIAV-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]2)C1 42172361 351520206 /nfs/dbraw/zinc/52/02/06/351520206.db2.gz LKKISQBZTZUBJS-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1CCCSCC1 42444896 351522492 /nfs/dbraw/zinc/52/24/92/351522492.db2.gz DUBQNEMSPQSSOX-UHFFFAOYSA-N 2 1 188.340 1.163 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CCCSCC1 42444896 351522496 /nfs/dbraw/zinc/52/24/96/351522496.db2.gz DUBQNEMSPQSSOX-UHFFFAOYSA-N 2 1 188.340 1.163 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]1CCC[NH2+]1 43496195 351528455 /nfs/dbraw/zinc/52/84/55/351528455.db2.gz UFCIBZMBMGFIJG-VIFPVBQESA-N 2 1 179.267 1.198 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CCCC[NH2+]1 43494222 351528811 /nfs/dbraw/zinc/52/88/11/351528811.db2.gz VPXPYUOVMMYQEL-JTQLQIEISA-N 2 1 179.267 1.334 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CCCC[NH2+]1 43494224 351528994 /nfs/dbraw/zinc/52/89/94/351528994.db2.gz VPXPYUOVMMYQEL-SNVBAGLBSA-N 2 1 179.267 1.334 10 0 ADAEMP CC(C)C[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH2+]2 44374260 351537366 /nfs/dbraw/zinc/53/73/66/351537366.db2.gz ZHKVNGVDIULGLU-FOSCPWQOSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C 44412926 351538470 /nfs/dbraw/zinc/53/84/70/351538470.db2.gz LILQUJOPVXAUDM-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C[NH3+])CC[C@H]1C 44412928 351538562 /nfs/dbraw/zinc/53/85/62/351538562.db2.gz LILQUJOPVXAUDM-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2CCC2)CCC[NH2+]1 44390304 351538653 /nfs/dbraw/zinc/53/86/53/351538653.db2.gz PVQLMLSAXQBTCB-LLVKDONJSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C 44412930 351538702 /nfs/dbraw/zinc/53/87/02/351538702.db2.gz LILQUJOPVXAUDM-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H](C[NH3+])CC[C@H]1C 44412924 351538742 /nfs/dbraw/zinc/53/87/42/351538742.db2.gz LILQUJOPVXAUDM-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]C1CC1 50271079 351553086 /nfs/dbraw/zinc/55/30/86/351553086.db2.gz GGAVWBTZHPBLHG-KOLCDFICSA-N 2 1 182.311 1.646 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@H](C[NH3+])C1 50247375 351553399 /nfs/dbraw/zinc/55/33/99/351553399.db2.gz VHWIYYVFTFFFIZ-SNVBAGLBSA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]C1CC1 50271081 351553404 /nfs/dbraw/zinc/55/34/04/351553404.db2.gz GGAVWBTZHPBLHG-MWLCHTKSSA-N 2 1 182.311 1.646 10 0 ADAEMP CC(C)=CC[N@H+]1CC[C@@H](C[NH3+])C1 50247377 351553407 /nfs/dbraw/zinc/55/34/07/351553407.db2.gz VHWIYYVFTFFFIZ-JTQLQIEISA-N 2 1 168.284 1.233 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)[C@@H]1C 50564940 351554614 /nfs/dbraw/zinc/55/46/14/351554614.db2.gz RUURRMMCDZBDMI-GHMZBOCLSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1CCC[N@H+]1CC(C)(C)C[NH3+] 51205594 351556683 /nfs/dbraw/zinc/55/66/83/351556683.db2.gz JFWRNXTUOUZBFB-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2(C[NH3+])CCCC2)C1 51249972 351556753 /nfs/dbraw/zinc/55/67/53/351556753.db2.gz BSXKZATYUPGMIF-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@H](C)C1 51730065 351559423 /nfs/dbraw/zinc/55/94/23/351559423.db2.gz QDFUXIQGKKNUGV-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCC2)CC[C@@H]1[NH3+] 52210757 351563429 /nfs/dbraw/zinc/56/34/29/351563429.db2.gz CXMVGGSELJODPM-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C1CCC1 52210789 351563459 /nfs/dbraw/zinc/56/34/59/351563459.db2.gz HDOWBVZCKQGHOA-BDAKNGLRSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C1CCC1 52210784 351563865 /nfs/dbraw/zinc/56/38/65/351563865.db2.gz HDOWBVZCKQGHOA-RKDXNWHRSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](C)CC1 52269675 351564550 /nfs/dbraw/zinc/56/45/50/351564550.db2.gz QKWBVUNCEDTMGT-SCZZXKLOSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C)CC1 52269679 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YKICUGCDIKMSOW-SECBINFHSA-N 2 1 194.278 1.580 10 0 ADAEMP C[C@@H]1CCC[N@H+]1Cc1ccoc1C[NH3+] 52375807 351567833 /nfs/dbraw/zinc/56/78/33/351567833.db2.gz RLLBOLAPIZWWLL-SECBINFHSA-N 2 1 194.278 1.723 10 0 ADAEMP C[C@@H]1CCC[N@H+]1Cc1cc(C[NH3+])co1 52375965 351567999 /nfs/dbraw/zinc/56/79/99/351567999.db2.gz CTDOQDIIQNJTFG-SECBINFHSA-N 2 1 194.278 1.723 10 0 ADAEMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CC1CC1 53255641 351570014 /nfs/dbraw/zinc/57/00/14/351570014.db2.gz ILRFUBQDRBDUMZ-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CC1CC1 53255644 351570124 /nfs/dbraw/zinc/57/01/24/351570124.db2.gz ILRFUBQDRBDUMZ-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCCC[NH2+]C2)C1 54135176 351571531 /nfs/dbraw/zinc/57/15/31/351571531.db2.gz MRLZHQLSZNPAJT-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CCCC[NH2+]C1 54134822 351571593 /nfs/dbraw/zinc/57/15/93/351571593.db2.gz UDTIVMBDRHKWKD-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CCC[NH2+]C[C@H](C)C1 54490925 351573706 /nfs/dbraw/zinc/57/37/06/351573706.db2.gz AQBLYJAZQXUMRW-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C1CCC([NH3+])CC1 55144424 351577283 /nfs/dbraw/zinc/57/72/83/351577283.db2.gz PLYUWCWLJLKBST-KPPDAEKUSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]1CCC[N@H+](C2CCC([NH3+])CC2)C1 55144216 351577518 /nfs/dbraw/zinc/57/75/18/351577518.db2.gz VZFXSUGSHNDPIX-VOMCLLRMSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 55144321 351577655 /nfs/dbraw/zinc/57/76/55/351577655.db2.gz JQCFYAYMJIEVPP-KPPDAEKUSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1CC1(C[NH3+])CCC1 58082552 351579373 /nfs/dbraw/zinc/57/93/73/351579373.db2.gz WGNUSWXLWOVFLX-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC(C)C[C@@H]1C[N@@H+](C)CCC[NH2+]1 62566631 351587008 /nfs/dbraw/zinc/58/70/08/351587008.db2.gz XOPAQNPHBGVEDQ-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 62911503 351590903 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XIMFLRYVTPZMNI-IVZWLZJFSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 163454569 351762622 /nfs/dbraw/zinc/76/26/22/351762622.db2.gz XBHKFSGAAJGMLI-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@@H+]1C[C@H]2C[C@@H]([NH3+])CC[C@H]2C1 216006465 351787342 /nfs/dbraw/zinc/78/73/42/351787342.db2.gz OMHWGQFWNFJKRP-AEJSXWLSSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 219858491 351790958 /nfs/dbraw/zinc/79/09/58/351790958.db2.gz MDEKTYZCXJWHRC-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 219852222 351791000 /nfs/dbraw/zinc/79/10/00/351791000.db2.gz ZHLHTPMECXYCEB-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 219858351 351791182 /nfs/dbraw/zinc/79/11/82/351791182.db2.gz CDSMQAXRJPSXBS-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 219858443 351791285 /nfs/dbraw/zinc/79/12/85/351791285.db2.gz MDEKTYZCXJWHRC-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 219858306 351791316 /nfs/dbraw/zinc/79/13/16/351791316.db2.gz CDSMQAXRJPSXBS-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 219858905 351791347 /nfs/dbraw/zinc/79/13/47/351791347.db2.gz IWQYSHFWXCWFJM-MNOVXSKESA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 219858955 351791404 /nfs/dbraw/zinc/79/14/04/351791404.db2.gz IWQYSHFWXCWFJM-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 219852269 351791419 /nfs/dbraw/zinc/79/14/19/351791419.db2.gz ZHLHTPMECXYCEB-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP CSCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 226001659 351801550 /nfs/dbraw/zinc/80/15/50/351801550.db2.gz WYJMSZZREJPCLU-DTWKUNHWSA-N 2 1 188.340 1.019 10 0 ADAEMP CC[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 228740296 351805949 /nfs/dbraw/zinc/80/59/49/351805949.db2.gz CESCDLUBAAMCIR-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 228740287 351805989 /nfs/dbraw/zinc/80/59/89/351805989.db2.gz CESCDLUBAAMCIR-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+][C@H](CC(C)C)C[NH+]1CCCC1 238348191 351820227 /nfs/dbraw/zinc/82/02/27/351820227.db2.gz DULWKBPDZONELJ-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 238345315 351820441 /nfs/dbraw/zinc/82/04/41/351820441.db2.gz DULWKBPDZONELJ-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP [NH3+]CC12CCCC[NH+]1CCCC2 238615847 351823343 /nfs/dbraw/zinc/82/33/43/351823343.db2.gz VAQNDNNGZXHTGZ-UHFFFAOYSA-N 2 1 168.284 1.354 10 0 ADAEMP CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 250053444 351831457 /nfs/dbraw/zinc/83/14/57/351831457.db2.gz WNSRLGWXSLWTCO-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 248248033 351830928 /nfs/dbraw/zinc/83/09/28/351830928.db2.gz RDFZQELNNXFWNG-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP CCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 250053445 351831362 /nfs/dbraw/zinc/83/13/62/351831362.db2.gz WNSRLGWXSLWTCO-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 250489759 351832141 /nfs/dbraw/zinc/83/21/41/351832141.db2.gz GGOFMHJXRKSOCB-VHSXEESVSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 250489758 351832162 /nfs/dbraw/zinc/83/21/62/351832162.db2.gz GGOFMHJXRKSOCB-UWVGGRQHSA-N 2 1 168.284 1.079 10 0 ADAEMP C[N@H+]1CC[C@@H](c2ncc(C[NH3+])s2)C1 257884637 351854002 /nfs/dbraw/zinc/85/40/02/351854002.db2.gz APLGGROOMDDGBT-SSDOTTSWSA-N 2 1 197.307 1.021 10 0 ADAEMP C[N@H+]1CC[C@H](c2ncc(C[NH3+])s2)C1 257884640 351854289 /nfs/dbraw/zinc/85/42/89/351854289.db2.gz APLGGROOMDDGBT-ZETCQYMHSA-N 2 1 197.307 1.021 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 257933377 351855333 /nfs/dbraw/zinc/85/53/33/351855333.db2.gz TXLYUNDQBOIGHF-GARJFASQSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[N@@H+]1C[C@H]2C[C@H]([NH3+])CC[C@H]2C1 257933379 351855400 /nfs/dbraw/zinc/85/54/00/351855400.db2.gz TXLYUNDQBOIGHF-HBNTYKKESA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 257933375 351855408 /nfs/dbraw/zinc/85/54/08/351855408.db2.gz TXLYUNDQBOIGHF-DCAQKATOSA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[N@@H+]1C[C@H]2C[C@@H]([NH3+])CC[C@H]2C1 257933371 351855460 /nfs/dbraw/zinc/85/54/60/351855460.db2.gz TXLYUNDQBOIGHF-AXFHLTTASA-N 2 1 182.311 1.454 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1c1ncc(C[NH3+])s1 257932318 351855637 /nfs/dbraw/zinc/85/56/37/351855637.db2.gz DYNHLFYDEAXAAJ-MRVPVSSYSA-N 2 1 197.307 1.369 10 0 ADAEMP C[N@H+]1CCC[C@@H]1c1ncc(C[NH3+])s1 257932318 351855639 /nfs/dbraw/zinc/85/56/39/351855639.db2.gz DYNHLFYDEAXAAJ-MRVPVSSYSA-N 2 1 197.307 1.369 10 0 ADAEMP C[N@@H+]1CCC[C@H]1c1ncc(C[NH3+])s1 257932320 351855651 /nfs/dbraw/zinc/85/56/51/351855651.db2.gz DYNHLFYDEAXAAJ-QMMMGPOBSA-N 2 1 197.307 1.369 10 0 ADAEMP C[N@H+]1CCC[C@H]1c1ncc(C[NH3+])s1 257932320 351855652 /nfs/dbraw/zinc/85/56/52/351855652.db2.gz DYNHLFYDEAXAAJ-QMMMGPOBSA-N 2 1 197.307 1.369 10 0 ADAEMP CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 258541570 351863660 /nfs/dbraw/zinc/86/36/60/351863660.db2.gz OMHWGQFWNFJKRP-LPEHRKFASA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C)[C@H](CN)[NH+]1CCC1 258539166 351863673 /nfs/dbraw/zinc/86/36/73/351863673.db2.gz OGVQUGPBCQSARG-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)[C@H](C[NH3+])[NH+]1CCC1 258539166 351863674 /nfs/dbraw/zinc/86/36/74/351863674.db2.gz OGVQUGPBCQSARG-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@@H+]1C[C@H]2C[C@H]([NH3+])CC[C@H]2C1 258541555 351863680 /nfs/dbraw/zinc/86/36/80/351863680.db2.gz OMHWGQFWNFJKRP-IVZWLZJFSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 258541535 351863706 /nfs/dbraw/zinc/86/37/06/351863706.db2.gz OMHWGQFWNFJKRP-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C)[C@@H](CN)[NH+]1CCC1 258539162 351863741 /nfs/dbraw/zinc/86/37/41/351863741.db2.gz OGVQUGPBCQSARG-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)[C@@H](C[NH3+])[NH+]1CCC1 258539162 351863743 /nfs/dbraw/zinc/86/37/43/351863743.db2.gz OGVQUGPBCQSARG-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])C1(C)C 258747517 351866167 /nfs/dbraw/zinc/86/61/67/351866167.db2.gz JVCFFFOZIHOAIA-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH3+])C1(C)C 258747514 351866218 /nfs/dbraw/zinc/86/62/18/351866218.db2.gz JVCFFFOZIHOAIA-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 258723866 351866361 /nfs/dbraw/zinc/86/63/61/351866361.db2.gz IPJVHPUJQLLWAN-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 258723869 351866643 /nfs/dbraw/zinc/86/66/43/351866643.db2.gz IPJVHPUJQLLWAN-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 258808120 351867073 /nfs/dbraw/zinc/86/70/73/351867073.db2.gz MTUPZJSBIHMEKL-SNVBAGLBSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[NH2+]C(C)(C)C1 258843505 351867195 /nfs/dbraw/zinc/86/71/95/351867195.db2.gz PHTGBQSWVDUTNJ-SECBINFHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC(C)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 258807371 351867376 /nfs/dbraw/zinc/86/73/76/351867376.db2.gz NTNAPHWWZIMRQK-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1CC[NH2+]C(C)(C)C1 258808118 351867418 /nfs/dbraw/zinc/86/74/18/351867418.db2.gz MTUPZJSBIHMEKL-JTQLQIEISA-N 2 1 184.327 1.857 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 258817163 351867453 /nfs/dbraw/zinc/86/74/53/351867453.db2.gz OKWGJVCDBOXHGX-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 258807375 351867474 /nfs/dbraw/zinc/86/74/74/351867474.db2.gz NTNAPHWWZIMRQK-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@@H+](C)[C@H]1CC[NH2+]C(C)(C)C1 258843509 351867490 /nfs/dbraw/zinc/86/74/90/351867490.db2.gz PHTGBQSWVDUTNJ-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 258817167 351867668 /nfs/dbraw/zinc/86/76/68/351867668.db2.gz OKWGJVCDBOXHGX-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@@H+](C1CCC([NH3+])CC1)C(C)(C)C 258903615 351868147 /nfs/dbraw/zinc/86/81/47/351868147.db2.gz WLNYZDFZKJIBPQ-UHFFFAOYSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 259269475 351871795 /nfs/dbraw/zinc/87/17/95/351871795.db2.gz NOMBSNUNGQPUCM-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 259269478 351871987 /nfs/dbraw/zinc/87/19/87/351871987.db2.gz NOMBSNUNGQPUCM-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 259269470 351872214 /nfs/dbraw/zinc/87/22/14/351872214.db2.gz NOMBSNUNGQPUCM-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 259269465 351872252 /nfs/dbraw/zinc/87/22/52/351872252.db2.gz NOMBSNUNGQPUCM-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC1(C)C[N@H+](C2CC2)CC[C@@H]1[NH3+] 259299726 351872501 /nfs/dbraw/zinc/87/25/01/351872501.db2.gz PPGBQCMOSZFJFZ-VIFPVBQESA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[N@H+](C2CC2)CC[C@H]1[NH3+] 259299721 351872947 /nfs/dbraw/zinc/87/29/47/351872947.db2.gz PPGBQCMOSZFJFZ-SECBINFHSA-N 2 1 168.284 1.208 10 0 ADAEMP C[N@H+]1C[C@@H](CC[NH3+])CC1(C)C 259354536 351873393 /nfs/dbraw/zinc/87/33/93/351873393.db2.gz JWVQSNKZWXSACG-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1C[C@H](CC[NH3+])CC1(C)C 259354531 351873437 /nfs/dbraw/zinc/87/34/37/351873437.db2.gz JWVQSNKZWXSACG-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@H]1[C@H](C[NH3+])CC[N@H+]1C1CCCC1 259438223 351874245 /nfs/dbraw/zinc/87/42/45/351874245.db2.gz OKCWBJRVPBTXFE-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1[C@@H](C[NH3+])CC[N@H+]1C1CCCC1 259438224 351874408 /nfs/dbraw/zinc/87/44/08/351874408.db2.gz OKCWBJRVPBTXFE-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[C@@H](C[NH3+])CC[N@H+]1C1CCCC1 259438222 351874488 /nfs/dbraw/zinc/87/44/88/351874488.db2.gz OKCWBJRVPBTXFE-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[C@H](C[NH3+])CC[N@H+]1C1CCCC1 259438225 351874682 /nfs/dbraw/zinc/87/46/82/351874682.db2.gz OKCWBJRVPBTXFE-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)s1 259511535 351875210 /nfs/dbraw/zinc/87/52/10/351875210.db2.gz VFCMNMWPLUCIOT-RXMQYKEDSA-N 2 1 190.699 1.750 10 0 ADAEMP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)s1 259511538 351875218 /nfs/dbraw/zinc/87/52/18/351875218.db2.gz VFCMNMWPLUCIOT-YFKPBYRVSA-N 2 1 190.699 1.750 10 0 ADAEMP CC1(C)CC([NH2+][C@H]2CCC[NH2+]C2)C1 259535577 351875855 /nfs/dbraw/zinc/87/58/55/351875855.db2.gz BKQBDFWJRUYCKH-VIFPVBQESA-N 2 1 182.311 1.517 10 0 ADAEMP CC1(C)CC([NH2+][C@@H]2CCC[NH2+]C2)C1 259535564 351876345 /nfs/dbraw/zinc/87/63/45/351876345.db2.gz BKQBDFWJRUYCKH-SECBINFHSA-N 2 1 182.311 1.517 10 0 ADAEMP F[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 259602443 351876631 /nfs/dbraw/zinc/87/66/31/351876631.db2.gz DDOXJOLTMHKNOX-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 259602443 351876634 /nfs/dbraw/zinc/87/66/34/351876634.db2.gz DDOXJOLTMHKNOX-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 259602400 351876876 /nfs/dbraw/zinc/87/68/76/351876876.db2.gz DDOXJOLTMHKNOX-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 259602400 351876881 /nfs/dbraw/zinc/87/68/81/351876881.db2.gz DDOXJOLTMHKNOX-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 259602435 351877086 /nfs/dbraw/zinc/87/70/86/351877086.db2.gz DDOXJOLTMHKNOX-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 259602435 351877088 /nfs/dbraw/zinc/87/70/88/351877088.db2.gz DDOXJOLTMHKNOX-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 259626491 351877397 /nfs/dbraw/zinc/87/73/97/351877397.db2.gz FTRFWFOQWWJEQB-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 259626491 351877399 /nfs/dbraw/zinc/87/73/99/351877399.db2.gz FTRFWFOQWWJEQB-ZJUUUORDSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 259626469 351877465 /nfs/dbraw/zinc/87/74/65/351877465.db2.gz FTRFWFOQWWJEQB-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 259626469 351877467 /nfs/dbraw/zinc/87/74/67/351877467.db2.gz FTRFWFOQWWJEQB-VHSXEESVSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 259626452 351877597 /nfs/dbraw/zinc/87/75/97/351877597.db2.gz FTRFWFOQWWJEQB-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 259626452 351877600 /nfs/dbraw/zinc/87/76/00/351877600.db2.gz FTRFWFOQWWJEQB-UWVGGRQHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 259626435 351877674 /nfs/dbraw/zinc/87/76/74/351877674.db2.gz FTRFWFOQWWJEQB-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP F[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 259626435 351877676 /nfs/dbraw/zinc/87/76/76/351877676.db2.gz FTRFWFOQWWJEQB-NXEZZACHSA-N 2 1 186.274 1.030 10 0 ADAEMP 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182.311 1.313 10 0 ADAEMP C[C@@H]1C[N@@H+](CCC[NH3+])C(C)(C)C1 307498325 352017283 /nfs/dbraw/zinc/01/72/83/352017283.db2.gz KEMJTCNAHBQMCM-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]CC2CC2)C[NH2+]1 307612540 352025909 /nfs/dbraw/zinc/02/59/09/352025909.db2.gz KXWGGZXKNDKYGM-PSASIEDQSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CC2CC2)C[NH2+]1 307612546 352025949 /nfs/dbraw/zinc/02/59/49/352025949.db2.gz KXWGGZXKNDKYGM-WCBMZHEXSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CC2CC2)C[NH2+]1 307612548 352026071 /nfs/dbraw/zinc/02/60/71/352026071.db2.gz KXWGGZXKNDKYGM-WPRPVWTQSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]CC2CC2)C[NH2+]1 307612543 352026181 /nfs/dbraw/zinc/02/61/81/352026181.db2.gz KXWGGZXKNDKYGM-SCZZXKLOSA-N 2 1 168.284 1.127 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCCC2)C[C@@]1(C)C[NH3+] 307703522 352033232 /nfs/dbraw/zinc/03/32/32/352033232.db2.gz VPSFZYMIXWKVLC-ZYHUDNBSSA-N 2 1 196.338 1.846 10 0 ADAEMP 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196.338 1.811 10 0 ADAEMP C[C@@H]1C[C@H]([NH+](C)CC2CC2)CC[N@@H+]1C 336555504 352147329 /nfs/dbraw/zinc/14/73/29/352147329.db2.gz QFGWIUDGOGEUPM-ZYHUDNBSSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[C@H]([NH+](C)CC2CC2)CC[N@H+]1C 336555504 352147332 /nfs/dbraw/zinc/14/73/32/352147332.db2.gz QFGWIUDGOGEUPM-ZYHUDNBSSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+](C)CC2CC2)CC[NH+]1C 336555504 352147336 /nfs/dbraw/zinc/14/73/36/352147336.db2.gz QFGWIUDGOGEUPM-ZYHUDNBSSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC2)CC[NH+]1C 336555504 352147339 /nfs/dbraw/zinc/14/73/39/352147339.db2.gz QFGWIUDGOGEUPM-ZYHUDNBSSA-N 2 1 196.338 1.811 10 0 ADAEMP CC1(C)CC(C[N@@H+]2CC[C@@H]([NH3+])C2)C1 530206088 352187200 /nfs/dbraw/zinc/18/72/00/352187200.db2.gz LUBFSCPEFWOOHQ-SNVBAGLBSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC(C[N@H+]2CC[C@@H]([NH3+])C2)C1 530206088 352187202 /nfs/dbraw/zinc/18/72/02/352187202.db2.gz LUBFSCPEFWOOHQ-SNVBAGLBSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC(C[N@@H+]2CCC[C@@H]2C[NH3+])C1 530213693 352187210 /nfs/dbraw/zinc/18/72/10/352187210.db2.gz VFOQNGIWDXLBQM-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CC(C[N@H+]2CCC[C@@H]2C[NH3+])C1 530213693 352187212 /nfs/dbraw/zinc/18/72/12/352187212.db2.gz VFOQNGIWDXLBQM-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+](CCC[NH3+])CC1CC(C)(C)C1 530208617 352187242 /nfs/dbraw/zinc/18/72/42/352187242.db2.gz GASDUELNODYUJW-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 530206868 352187283 /nfs/dbraw/zinc/18/72/83/352187283.db2.gz OIVLCGLYFPZRJF-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 530206868 352187284 /nfs/dbraw/zinc/18/72/84/352187284.db2.gz OIVLCGLYFPZRJF-NSHDSACASA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 530206867 352187379 /nfs/dbraw/zinc/18/73/79/352187379.db2.gz OIVLCGLYFPZRJF-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 530206867 352187381 /nfs/dbraw/zinc/18/73/81/352187381.db2.gz OIVLCGLYFPZRJF-LLVKDONJSA-N 2 1 196.338 1.716 10 0 ADAEMP CC1(C)CC(C[N@@H+]2CCC[C@H]2C[NH3+])C1 530213694 352187390 /nfs/dbraw/zinc/18/73/90/352187390.db2.gz VFOQNGIWDXLBQM-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)CC(C[N@H+]2CCC[C@H]2C[NH3+])C1 530213694 352187393 /nfs/dbraw/zinc/18/73/93/352187393.db2.gz VFOQNGIWDXLBQM-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC(F)(F)CC[N@H+]1CCC[NH3+] 530231742 352187608 /nfs/dbraw/zinc/18/76/08/352187608.db2.gz LOFKWJYAVZQPEM-MRVPVSSYSA-N 2 1 192.253 1.455 10 0 ADAEMP C[C@H]1CC(F)(F)CC[N@H+]1CCC[NH3+] 530231743 352187617 /nfs/dbraw/zinc/18/76/17/352187617.db2.gz LOFKWJYAVZQPEM-QMMMGPOBSA-N 2 1 192.253 1.455 10 0 ADAEMP C[N@@H+](CC1CC(C)(C)C1)C1CC([NH3+])C1 530224734 352187689 /nfs/dbraw/zinc/18/76/89/352187689.db2.gz XPHBTMXPCKSFGY-UHFFFAOYSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1[NH3+] 530227301 352187759 /nfs/dbraw/zinc/18/77/59/352187759.db2.gz RQOXXTGGAZVOLX-ONGXEEELSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1[NH3+] 530227300 352188038 /nfs/dbraw/zinc/18/80/38/352188038.db2.gz RQOXXTGGAZVOLX-MWLCHTKSSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1(C)CC(C[N@@H+]2CC[C@H]([NH3+])C2)C1 530216018 352188105 /nfs/dbraw/zinc/18/81/05/352188105.db2.gz LUBFSCPEFWOOHQ-JTQLQIEISA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)CC(C[N@H+]2CC[C@H]([NH3+])C2)C1 530216018 352188107 /nfs/dbraw/zinc/18/81/07/352188107.db2.gz LUBFSCPEFWOOHQ-JTQLQIEISA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC=CC1 530215192 352188124 /nfs/dbraw/zinc/18/81/24/352188124.db2.gz DZMJGFINADOPNW-ZYHUDNBSSA-N 2 1 194.322 1.540 10 0 ADAEMP C1=CC[C@H](CC[NH2+][C@H]2CC[NH2+]C2)CC1 530219919 352188138 /nfs/dbraw/zinc/18/81/38/352188138.db2.gz KZBMDZDOLAAALE-RYUDHWBXSA-N 2 1 194.322 1.684 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1[NH3+] 530227298 352188148 /nfs/dbraw/zinc/18/81/48/352188148.db2.gz RQOXXTGGAZVOLX-GXSJLCMTSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1CC(C)(C)C1 530221824 352188202 /nfs/dbraw/zinc/18/82/02/352188202.db2.gz DTFKRJBXCFQCDQ-ONGXEEELSA-N 2 1 196.338 1.844 10 0 ADAEMP CC1(C)CC(C[N@H+]2CCC[C@@H]([NH3+])C2)C1 530219766 352188240 /nfs/dbraw/zinc/18/82/40/352188240.db2.gz QNNMDUFIYUVSKA-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC=CC1 530215191 352188251 /nfs/dbraw/zinc/18/82/51/352188251.db2.gz DZMJGFINADOPNW-PWSUYJOCSA-N 2 1 194.322 1.540 10 0 ADAEMP C1=CC[C@H](CC[NH2+][C@@H]2CC[NH2+]C2)CC1 530219918 352188303 /nfs/dbraw/zinc/18/83/03/352188303.db2.gz KZBMDZDOLAAALE-NWDGAFQWSA-N 2 1 194.322 1.684 10 0 ADAEMP C1=CC[C@@H](CC[NH2+][C@@H]2CC[NH2+]C2)CC1 530219920 352188312 /nfs/dbraw/zinc/18/83/12/352188312.db2.gz KZBMDZDOLAAALE-VXGBXAGGSA-N 2 1 194.322 1.684 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1[NH3+] 530227299 352188319 /nfs/dbraw/zinc/18/83/19/352188319.db2.gz RQOXXTGGAZVOLX-KOLCDFICSA-N 2 1 196.338 1.702 10 0 ADAEMP C1=CC[C@@H](CC[NH2+][C@H]2CC[NH2+]C2)CC1 530219917 352188386 /nfs/dbraw/zinc/18/83/86/352188386.db2.gz KZBMDZDOLAAALE-NEPJUHHUSA-N 2 1 194.322 1.684 10 0 ADAEMP CC(C)[N@H+]1CC[C@@](C)(C(=[NH2+])NO)C1 575450339 352208868 /nfs/dbraw/zinc/20/88/68/352208868.db2.gz ASBYWIKHPHOMQH-SECBINFHSA-N 2 1 185.271 1.063 10 0 ADAEMP CC(C)[N@H+]1CC[C@](C)(C(=[NH2+])NO)C1 575450340 352208992 /nfs/dbraw/zinc/20/89/92/352208992.db2.gz ASBYWIKHPHOMQH-VIFPVBQESA-N 2 1 185.271 1.063 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H](F)C2)C1 575450431 352209517 /nfs/dbraw/zinc/20/95/17/352209517.db2.gz AVBWJXJDNSPYGM-LPEHRKFASA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@@H](F)C2)C1 575450430 352209526 /nfs/dbraw/zinc/20/95/26/352209526.db2.gz AVBWJXJDNSPYGM-BBBLOLIVSA-N 2 1 186.274 1.158 10 0 ADAEMP C/C(=C/c1c[nH+]c(C)n1C)[C@@H](C)[NH3+] 575451180 352213204 /nfs/dbraw/zinc/21/32/04/352213204.db2.gz JLUQFQZSPWXIEM-GRKOMRHMSA-N 2 1 179.267 1.479 10 0 ADAEMP C/C(=C\c1c[nH+]c(C)n1C)[C@H](C)[NH3+] 575451181 352213296 /nfs/dbraw/zinc/21/32/96/352213296.db2.gz JLUQFQZSPWXIEM-IVGLGHLBSA-N 2 1 179.267 1.479 10 0 ADAEMP C/C(=C/c1c[nH+]c(C)n1C)[C@H](C)[NH3+] 575451182 352213393 /nfs/dbraw/zinc/21/33/93/352213393.db2.gz JLUQFQZSPWXIEM-TVSKSKRASA-N 2 1 179.267 1.479 10 0 ADAEMP C/C(=C\c1c[nH+]c(C)n1C)[C@@H](C)[NH3+] 575451183 352213431 /nfs/dbraw/zinc/21/34/31/352213431.db2.gz JLUQFQZSPWXIEM-WVXIBAHESA-N 2 1 179.267 1.479 10 0 ADAEMP CC1CC([NH3+])(Cc2c[nH+]cn2C)C1 575451922 352216346 /nfs/dbraw/zinc/21/63/46/352216346.db2.gz CGUDAFICFBTGNU-UHFFFAOYSA-N 2 1 179.267 1.090 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC[C@H](C(F)F)C2)C1 575452070 352216960 /nfs/dbraw/zinc/21/69/60/352216960.db2.gz IWSHHYRIJSJFOP-KKMMWDRVSA-N 2 1 190.237 1.063 10 0 ADAEMP [NH3+]C1CC([N@H+]2CC[C@@H](C(F)F)C2)C1 575452069 352217190 /nfs/dbraw/zinc/21/71/90/352217190.db2.gz IWSHHYRIJSJFOP-JECWYVHBSA-N 2 1 190.237 1.063 10 0 ADAEMP Cc1[nH+]cn(CC2CC([NH3+])C2)c1C 575456242 352229704 /nfs/dbraw/zinc/22/97/04/352229704.db2.gz LNPYGZBABPPGIS-UHFFFAOYSA-N 2 1 179.267 1.237 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC=C(F)C2)C1 575460439 352243163 /nfs/dbraw/zinc/24/31/63/352243163.db2.gz RCSMBYLOUXGUPT-WAAGHKOSSA-N 2 1 184.258 1.283 10 0 ADAEMP [NH3+][C@@H]1CC=C(C[N@@H+]2CC=CCC2)C1 575460637 352243638 /nfs/dbraw/zinc/24/36/38/352243638.db2.gz QDQQECFWGJJVNN-LLVKDONJSA-N 2 1 178.279 1.296 10 0 ADAEMP [NH3+][C@H]1CC=C(C[N@@H+]2CC=CCC2)C1 575460638 352243971 /nfs/dbraw/zinc/24/39/71/352243971.db2.gz QDQQECFWGJJVNN-NSHDSACASA-N 2 1 178.279 1.296 10 0 ADAEMP CC(C)=C[C@@H]([NH3+])[C@H]1CCC[N@H+]1C 575462280 352250868 /nfs/dbraw/zinc/25/08/68/352250868.db2.gz OFBYTMGMWSKAKA-NXEZZACHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@@H]([NH3+])[C@H]1CCC[N@@H+]1C 575462280 352250871 /nfs/dbraw/zinc/25/08/71/352250871.db2.gz OFBYTMGMWSKAKA-NXEZZACHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@H]([NH3+])[C@H]1CCC[N@H+]1C 575462282 352250988 /nfs/dbraw/zinc/25/09/88/352250988.db2.gz OFBYTMGMWSKAKA-VHSXEESVSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@H]([NH3+])[C@H]1CCC[N@@H+]1C 575462282 352250990 /nfs/dbraw/zinc/25/09/90/352250990.db2.gz OFBYTMGMWSKAKA-VHSXEESVSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@H]([NH3+])[C@@H]1CCC[N@H+]1C 575462281 352251033 /nfs/dbraw/zinc/25/10/33/352251033.db2.gz OFBYTMGMWSKAKA-UWVGGRQHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@H]([NH3+])[C@@H]1CCC[N@@H+]1C 575462281 352251034 /nfs/dbraw/zinc/25/10/34/352251034.db2.gz OFBYTMGMWSKAKA-UWVGGRQHSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@@H]([NH3+])[C@@H]1CCC[N@H+]1C 575462283 352251064 /nfs/dbraw/zinc/25/10/64/352251064.db2.gz OFBYTMGMWSKAKA-ZJUUUORDSA-N 2 1 168.284 1.374 10 0 ADAEMP CC(C)=C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]1C 575462283 352251066 /nfs/dbraw/zinc/25/10/66/352251066.db2.gz OFBYTMGMWSKAKA-ZJUUUORDSA-N 2 1 168.284 1.374 10 0 ADAEMP Cn1c[nH+]cc1C1CCC([NH3+])CC1 575462725 352252842 /nfs/dbraw/zinc/25/28/42/352252842.db2.gz DYZJYTAZCBPJIA-UHFFFAOYSA-N 2 1 179.267 1.405 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC1=CC[C@H]([NH3+])C1 575467112 352269558 /nfs/dbraw/zinc/26/95/58/352269558.db2.gz XEBYTEDYFVQCHX-YWVKMMECSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2=CC[C@H]([NH3+])C2)[C@@H]1C 575467110 352269570 /nfs/dbraw/zinc/26/95/70/352269570.db2.gz XEBYTEDYFVQCHX-KKZNHRDASA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC1=CC[C@@H]([NH3+])C1 575467111 352269890 /nfs/dbraw/zinc/26/98/90/352269890.db2.gz XEBYTEDYFVQCHX-WCABBAIRSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2=CC[C@@H]([NH3+])C2)[C@@H]1C 575467109 352269957 /nfs/dbraw/zinc/26/99/57/352269957.db2.gz XEBYTEDYFVQCHX-FXPVBKGRSA-N 2 1 180.295 1.374 10 0 ADAEMP CC(=[NH2+])N[C@@H]1CC[N@H+](C(C)(C)C)C1 575468971 352277031 /nfs/dbraw/zinc/27/70/31/352277031.db2.gz GJXSOJHFYFDJJG-SECBINFHSA-N 2 1 183.299 1.446 10 0 ADAEMP CC(=[NH2+])N[C@H]1CC[N@H+](C(C)(C)C)C1 575468972 352277037 /nfs/dbraw/zinc/27/70/37/352277037.db2.gz GJXSOJHFYFDJJG-VIFPVBQESA-N 2 1 183.299 1.446 10 0 ADAEMP [NH3+][C@H]1CC=C(C[N@H+]2CC[C@@H](F)C2)C1 575469348 352279347 /nfs/dbraw/zinc/27/93/47/352279347.db2.gz USSOIDGVKFMSMN-ZJUUUORDSA-N 2 1 184.258 1.078 10 0 ADAEMP [NH3+][C@@H]1CC=C(C[N@H+]2CC[C@@H](F)C2)C1 575469345 352279367 /nfs/dbraw/zinc/27/93/67/352279367.db2.gz USSOIDGVKFMSMN-NXEZZACHSA-N 2 1 184.258 1.078 10 0 ADAEMP [NH3+][C@H]1CC=C(C[N@H+]2CC[C@H](F)C2)C1 575469346 352279419 /nfs/dbraw/zinc/27/94/19/352279419.db2.gz USSOIDGVKFMSMN-UWVGGRQHSA-N 2 1 184.258 1.078 10 0 ADAEMP [NH3+][C@@H]1CC=C(C[N@H+]2CC[C@H](F)C2)C1 575469347 352279701 /nfs/dbraw/zinc/27/97/01/352279701.db2.gz USSOIDGVKFMSMN-VHSXEESVSA-N 2 1 184.258 1.078 10 0 ADAEMP C[NH+]1CCC([NH2+]C2(C)CCC2)CC1 575475239 352291700 /nfs/dbraw/zinc/29/17/00/352291700.db2.gz LJODYJNGFHGZCT-UHFFFAOYSA-N 2 1 182.311 1.613 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@]23CCC[C@H]2C3)C1 575478520 352296059 /nfs/dbraw/zinc/29/60/59/352296059.db2.gz AVPBOTPHGHALNB-DCAQKATOSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]([C@@]23CCC[C@@H]2C3)C1 575478522 352296147 /nfs/dbraw/zinc/29/61/47/352296147.db2.gz AVPBOTPHGHALNB-HBNTYKKESA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C[C@@]23CCC[C@@H]2C3)C1 575478836 352297170 /nfs/dbraw/zinc/29/71/70/352297170.db2.gz COGALJXOFOVVFH-MXWKQRLJSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C[C@@]23CCC[C@@H]2C3)C1 575478836 352297174 /nfs/dbraw/zinc/29/71/74/352297174.db2.gz COGALJXOFOVVFH-MXWKQRLJSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C[C@]23CCC[C@H]2C3)C1 575478835 352297256 /nfs/dbraw/zinc/29/72/56/352297256.db2.gz COGALJXOFOVVFH-HBNTYKKESA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C[C@]23CCC[C@H]2C3)C1 575478835 352297259 /nfs/dbraw/zinc/29/72/59/352297259.db2.gz COGALJXOFOVVFH-HBNTYKKESA-N 2 1 180.295 1.210 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)[C@H]1CCC[NH2+]1 575478862 352297315 /nfs/dbraw/zinc/29/73/15/352297315.db2.gz BAYWHRYDWXSGFT-WCBMZHEXSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)[C@@H]1CCC[NH2+]1 575478867 352297424 /nfs/dbraw/zinc/29/74/24/352297424.db2.gz BAYWHRYDWXSGFT-WPRPVWTQSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)[C@@H]1CCC[NH2+]1 575478849 352297521 /nfs/dbraw/zinc/29/75/21/352297521.db2.gz BAYWHRYDWXSGFT-SCZZXKLOSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1[nH+]ccn1[C@H](C)[C@H]1CCC[NH2+]1 575478845 352297578 /nfs/dbraw/zinc/29/75/78/352297578.db2.gz BAYWHRYDWXSGFT-PSASIEDQSA-N 2 1 179.267 1.505 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575478950 352297994 /nfs/dbraw/zinc/29/79/94/352297994.db2.gz BJIKELHDIPBZMQ-QWRGUYRKSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C 575478950 352297997 /nfs/dbraw/zinc/29/79/97/352297997.db2.gz BJIKELHDIPBZMQ-QWRGUYRKSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@H]([NH3+])CC[C@H]1C 575478948 352298067 /nfs/dbraw/zinc/29/80/67/352298067.db2.gz BJIKELHDIPBZMQ-GHMZBOCLSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C 575478948 352298070 /nfs/dbraw/zinc/29/80/70/352298070.db2.gz BJIKELHDIPBZMQ-GHMZBOCLSA-N 2 1 182.311 1.764 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC3(CC3)C2)C1 575479001 352298090 /nfs/dbraw/zinc/29/80/90/352298090.db2.gz LIUWXYBTBGQMRJ-AOOOYVTPSA-N 2 1 180.295 1.210 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C 575478951 352298182 /nfs/dbraw/zinc/29/81/82/352298182.db2.gz BJIKELHDIPBZMQ-WDEREUQCSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C 575478951 352298184 /nfs/dbraw/zinc/29/81/84/352298184.db2.gz BJIKELHDIPBZMQ-WDEREUQCSA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@H+]1C[C@@H]([NH3+])CC[C@H]1C 575478949 352298242 /nfs/dbraw/zinc/29/82/42/352298242.db2.gz BJIKELHDIPBZMQ-MNOVXSKESA-N 2 1 182.311 1.764 10 0 ADAEMP CC(C)=CC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C 575478949 352298244 /nfs/dbraw/zinc/29/82/44/352298244.db2.gz BJIKELHDIPBZMQ-MNOVXSKESA-N 2 1 182.311 1.764 10 0 ADAEMP Cc1[nH+]ccn1C[C@@]1(C)CC[NH2+]C1 575479073 352298567 /nfs/dbraw/zinc/29/85/67/352298567.db2.gz LTGJNIFCYRFANS-JTQLQIEISA-N 2 1 179.267 1.191 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C1 575479130 352298783 /nfs/dbraw/zinc/29/87/83/352298783.db2.gz MHTBMCIEWCDNFC-XWLWVQCSSA-N 2 1 180.295 1.066 10 0 ADAEMP Cc1[nH+]ccn1C[C@]1(C)CC[NH2+]C1 575479074 352298792 /nfs/dbraw/zinc/29/87/92/352298792.db2.gz LTGJNIFCYRFANS-SNVBAGLBSA-N 2 1 179.267 1.191 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575479126 352298864 /nfs/dbraw/zinc/29/88/64/352298864.db2.gz MHTBMCIEWCDNFC-DBIOUOCHSA-N 2 1 180.295 1.066 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[C@H](C)[NH2+]C1 575479254 352299295 /nfs/dbraw/zinc/29/92/95/352299295.db2.gz COAZECHLDOWYKC-WCBMZHEXSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[C@H](C)[NH2+]C1 575479255 352299300 /nfs/dbraw/zinc/29/93/00/352299300.db2.gz COAZECHLDOWYKC-WPRPVWTQSA-N 2 1 179.267 1.505 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](C)[NH3+] 575479187 352299334 /nfs/dbraw/zinc/29/93/34/352299334.db2.gz NAKWTQOOOLKQBR-OCPDBYLZSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](C)[NH3+] 575479188 352299363 /nfs/dbraw/zinc/29/93/63/352299363.db2.gz NAKWTQOOOLKQBR-QBUCEGOBSA-N 2 1 182.311 1.597 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[C@@H](C)[NH2+]C1 575479253 352299397 /nfs/dbraw/zinc/29/93/97/352299397.db2.gz COAZECHLDOWYKC-SCZZXKLOSA-N 2 1 179.267 1.505 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[C@@H](C)[NH2+]C1 575479252 352299457 /nfs/dbraw/zinc/29/94/57/352299457.db2.gz COAZECHLDOWYKC-PSASIEDQSA-N 2 1 179.267 1.505 10 0 ADAEMP [NH3+]CC1([N@@H+]2CCCC3(CC3)C2)CC1 575479392 352299853 /nfs/dbraw/zinc/29/98/53/352299853.db2.gz NHYFCNJGSVATDL-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP [NH3+]CC1([N@H+]2CCCC3(CC3)C2)CC1 575479392 352299857 /nfs/dbraw/zinc/29/98/57/352299857.db2.gz NHYFCNJGSVATDL-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP Cn1c[nH+]cc1CC1([NH3+])CC=CC1 575479713 352301582 /nfs/dbraw/zinc/30/15/82/352301582.db2.gz VDGAVKCIVWDJHK-UHFFFAOYSA-N 2 1 177.251 1.010 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3CC[C@H]3C2)C1 575480213 352304281 /nfs/dbraw/zinc/30/42/81/352304281.db2.gz UIYQNNGEBFNTQP-FDNPJPRYSA-N 2 1 180.295 1.066 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H](C)C[NH3+] 575480497 352305451 /nfs/dbraw/zinc/30/54/51/352305451.db2.gz YCSFHXFWUCVEPV-QBUCEGOBSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@@H](C)C[NH3+] 575480497 352305453 /nfs/dbraw/zinc/30/54/53/352305453.db2.gz YCSFHXFWUCVEPV-QBUCEGOBSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@@H+]2[C@H](C)C[NH3+] 575480495 352305474 /nfs/dbraw/zinc/30/54/74/352305474.db2.gz YCSFHXFWUCVEPV-OCPDBYLZSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2[C@H](C)C[NH3+] 575480495 352305476 /nfs/dbraw/zinc/30/54/76/352305476.db2.gz YCSFHXFWUCVEPV-OCPDBYLZSA-N 2 1 182.311 1.597 10 0 ADAEMP [NH3+]C1CC[NH+](C2CC(F)(F)C2)CC1 575480501 352305611 /nfs/dbraw/zinc/30/56/11/352305611.db2.gz JHZUINHSFPQDAS-UHFFFAOYSA-N 2 1 190.237 1.207 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575480688 352306835 /nfs/dbraw/zinc/30/68/35/352306835.db2.gz YRTCXCFKMJUFMU-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C 575480689 352306906 /nfs/dbraw/zinc/30/69/06/352306906.db2.gz YRTCXCFKMJUFMU-ZRUFSTJUSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C 575480687 352306931 /nfs/dbraw/zinc/30/69/31/352306931.db2.gz YRTCXCFKMJUFMU-XWLWVQCSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C 575480686 352307072 /nfs/dbraw/zinc/30/70/72/352307072.db2.gz YRTCXCFKMJUFMU-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP N[C@@H]1CC[N@H+]([C@@]23CCCC[C@@H]2C3)C1 575480872 352307615 /nfs/dbraw/zinc/30/76/15/352307615.db2.gz OLKKJNJNTOCWIA-GMTAPVOTSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@@]23CCCC[C@@H]2C3)C1 575480872 352307620 /nfs/dbraw/zinc/30/76/20/352307620.db2.gz OLKKJNJNTOCWIA-GMTAPVOTSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+]([C@]23CCCC[C@H]2C3)C1 575480871 352307830 /nfs/dbraw/zinc/30/78/30/352307830.db2.gz OLKKJNJNTOCWIA-AXFHLTTASA-N 2 1 180.295 1.352 10 0 ADAEMP C1CNCC[N@@H+]([C@@]23CCC[C@@H]2C3)C1 575480926 352308576 /nfs/dbraw/zinc/30/85/76/352308576.db2.gz OVXVGEFSIOZGDE-GHMZBOCLSA-N 2 1 180.295 1.224 10 0 ADAEMP C1C[NH2+]CCN([C@@]23CCC[C@@H]2C3)C1 575480926 352308579 /nfs/dbraw/zinc/30/85/79/352308579.db2.gz OVXVGEFSIOZGDE-GHMZBOCLSA-N 2 1 180.295 1.224 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC[C@H](F)C2)C1 575481590 352311506 /nfs/dbraw/zinc/31/15/06/352311506.db2.gz AVBWJXJDNSPYGM-GUBZILKMSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC[C@@H](F)C2)C1 575481591 352311769 /nfs/dbraw/zinc/31/17/69/352311769.db2.gz AVBWJXJDNSPYGM-OPRDCNLKSA-N 2 1 186.274 1.158 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575481973 352312955 /nfs/dbraw/zinc/31/29/55/352312955.db2.gz BFMGEIKNTBJZOY-MGCOHNPYSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1C[C@H]([NH3+])C1 575482279 352315128 /nfs/dbraw/zinc/31/51/28/352315128.db2.gz CAHZIPRDSQVFKG-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575482283 352315147 /nfs/dbraw/zinc/31/51/47/352315147.db2.gz CAHZIPRDSQVFKG-VLEAKVRGSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575482278 352315187 /nfs/dbraw/zinc/31/51/87/352315187.db2.gz CAHZIPRDSQVFKG-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575482282 352315310 /nfs/dbraw/zinc/31/53/10/352315310.db2.gz CAHZIPRDSQVFKG-NAKRPEOUSA-N 2 1 182.311 1.454 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@]23CCC[C@@H]2C3)C1 575482396 352315817 /nfs/dbraw/zinc/31/58/17/352315817.db2.gz WMEIMXLOUAPZGY-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@]23CCC[C@@H]2C3)C1 575482396 352315819 /nfs/dbraw/zinc/31/58/19/352315819.db2.gz WMEIMXLOUAPZGY-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575482490 352315847 /nfs/dbraw/zinc/31/58/47/352315847.db2.gz CSJVWDBZGPKUSK-MGCOHNPYSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@]23CCC[C@H]2C3)C1 575482395 352315926 /nfs/dbraw/zinc/31/59/26/352315926.db2.gz WMEIMXLOUAPZGY-AXFHLTTASA-N 2 1 180.295 1.223 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@]23CCC[C@H]2C3)C1 575482395 352315928 /nfs/dbraw/zinc/31/59/28/352315928.db2.gz WMEIMXLOUAPZGY-AXFHLTTASA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575482850 352317945 /nfs/dbraw/zinc/31/79/45/352317945.db2.gz DJDRKWPZUHXOMN-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575482848 352318039 /nfs/dbraw/zinc/31/80/39/352318039.db2.gz DJDRKWPZUHXOMN-GUBZILKMSA-N 2 1 168.284 1.066 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC3(CC3)C2)C1 575482992 352318519 /nfs/dbraw/zinc/31/85/19/352318519.db2.gz LIUWXYBTBGQMRJ-MGCOHNPYSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575483080 352319638 /nfs/dbraw/zinc/31/96/38/352319638.db2.gz MHTBMCIEWCDNFC-GWOFURMSSA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C1 575483088 352319658 /nfs/dbraw/zinc/31/96/58/352319658.db2.gz MHTBMCIEWCDNFC-NAKRPEOUSA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC=C(F)C2)C1 575483769 352323284 /nfs/dbraw/zinc/32/32/84/352323284.db2.gz RCSMBYLOUXGUPT-CZMCAQCFSA-N 2 1 184.258 1.283 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 575484424 352326840 /nfs/dbraw/zinc/32/68/40/352326840.db2.gz YRTCXCFKMJUFMU-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 575484434 352326849 /nfs/dbraw/zinc/32/68/49/352326849.db2.gz YRTCXCFKMJUFMU-VLEAKVRGSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575484448 352326871 /nfs/dbraw/zinc/32/68/71/352326871.db2.gz IQNPWWQWFCQUIO-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@H]1C 575484433 352326885 /nfs/dbraw/zinc/32/68/85/352326885.db2.gz YRTCXCFKMJUFMU-NAKRPEOUSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575484447 352327103 /nfs/dbraw/zinc/32/71/03/352327103.db2.gz IQNPWWQWFCQUIO-GUBZILKMSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575484432 352327110 /nfs/dbraw/zinc/32/71/10/352327110.db2.gz YRTCXCFKMJUFMU-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+](C2CC(F)(F)C2)C1 575484542 352327407 /nfs/dbraw/zinc/32/74/07/352327407.db2.gz YQZUKSOOCXFCEQ-ZETCQYMHSA-N 2 1 190.237 1.065 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+](C2CC(F)(F)C2)C1 575484540 352327669 /nfs/dbraw/zinc/32/76/69/352327669.db2.gz YQZUKSOOCXFCEQ-SSDOTTSWSA-N 2 1 190.237 1.065 10 0 ADAEMP [NH3+]C[C@H]([NH3+])[C@@H]1CC2CCC1CC2 575484931 352328978 /nfs/dbraw/zinc/32/89/78/352328978.db2.gz KDPZCEOSAAJDGJ-BMNUFHGDSA-N 2 1 168.284 1.099 10 0 ADAEMP [NH3+]C[C@@H]([NH3+])[C@@H]1CC2CCC1CC2 575484934 352329078 /nfs/dbraw/zinc/32/90/78/352329078.db2.gz KDPZCEOSAAJDGJ-YDYPAMBWSA-N 2 1 168.284 1.099 10 0 ADAEMP CC1=CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575484947 352329129 /nfs/dbraw/zinc/32/91/29/352329129.db2.gz KKIUGXWZBSCRQF-XYPYZODXSA-N 2 1 180.295 1.376 10 0 ADAEMP [NH3+]C[C@@H]([NH3+])[C@H]1CC2CCC1CC2 575484932 352329192 /nfs/dbraw/zinc/32/91/92/352329192.db2.gz KDPZCEOSAAJDGJ-HORUIINNSA-N 2 1 168.284 1.099 10 0 ADAEMP [NH3+]C[C@H]([NH3+])[C@H]1CC2CCC1CC2 575484933 352329220 /nfs/dbraw/zinc/32/92/20/352329220.db2.gz KDPZCEOSAAJDGJ-QLEHZGMVSA-N 2 1 168.284 1.099 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575485264 352330515 /nfs/dbraw/zinc/33/05/15/352330515.db2.gz MMDGTATZUHYTFV-GMTAPVOTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 575485263 352330645 /nfs/dbraw/zinc/33/06/45/352330645.db2.gz MMDGTATZUHYTFV-DCAQKATOSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1=CC[N@@H+](C[C@H]2C[C@H]([NH3+])C2)CC1 575485182 352330801 /nfs/dbraw/zinc/33/08/01/352330801.db2.gz LFLBFHFJRRKPHW-XYPYZODXSA-N 2 1 180.295 1.376 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1C[C@H]([NH3+])C1 575485867 352332997 /nfs/dbraw/zinc/33/29/97/352332997.db2.gz RQOMYOVHDKFGKQ-KYZUINATSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575486010 352334427 /nfs/dbraw/zinc/33/44/27/352334427.db2.gz TYDTWVVBYFZZHQ-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575486008 352334513 /nfs/dbraw/zinc/33/45/13/352334513.db2.gz TYDTWVVBYFZZHQ-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@H]2C[C@H]([NH3+])C2)C[C@@H]1C 575486321 352336345 /nfs/dbraw/zinc/33/63/45/352336345.db2.gz VNLCAZFGSHAZRA-BIBSGERRSA-N 2 1 182.311 1.312 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCCC[C@H]1C 575489540 352353855 /nfs/dbraw/zinc/35/38/55/352353855.db2.gz JVCFJUWDTZYYFQ-NXEZZACHSA-N 2 1 170.300 1.504 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCCCC[C@@H]1C 575489544 352353869 /nfs/dbraw/zinc/35/38/69/352353869.db2.gz JVCFJUWDTZYYFQ-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCCC[C@H]1C 575489545 352353899 /nfs/dbraw/zinc/35/38/99/352353899.db2.gz JVCFJUWDTZYYFQ-ZJUUUORDSA-N 2 1 170.300 1.504 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCCCC[C@@H]1C 575489543 352353996 /nfs/dbraw/zinc/35/39/96/352353996.db2.gz JVCFJUWDTZYYFQ-UWVGGRQHSA-N 2 1 170.300 1.504 10 0 ADAEMP [NH3+]CC1([NH3+])CC(c2ccccc2)C1 575490130 352356238 /nfs/dbraw/zinc/35/62/38/352356238.db2.gz XSAREDIGPDRYCA-UHFFFAOYSA-N 2 1 176.263 1.220 10 0 ADAEMP [NH3+]CC12CC(C[N@H+]1C1CCCC1)C2 575490876 352359419 /nfs/dbraw/zinc/35/94/19/352359419.db2.gz WJHYLEKEHLIQNY-UHFFFAOYSA-N 2 1 180.295 1.352 10 0 ADAEMP CC1C[NH+]([C@@]2(C[NH3+])CCC[C@H]2C)C1 575493394 352372071 /nfs/dbraw/zinc/37/20/71/352372071.db2.gz BOVXXOAOPCEFTC-GHMZBOCLSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CC[C@H]3C[C@H]32)C1 575493385 352372108 /nfs/dbraw/zinc/37/21/08/352372108.db2.gz BFQADLJZMZQKAK-AXFHLTTASA-N 2 1 180.295 1.066 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CCC[C@@H]2C)C1 575493398 352372157 /nfs/dbraw/zinc/37/21/57/352372157.db2.gz BOVXXOAOPCEFTC-QWRGUYRKSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CCC[C@H]2C)C1 575493397 352372222 /nfs/dbraw/zinc/37/22/22/352372222.db2.gz BOVXXOAOPCEFTC-MNOVXSKESA-N 2 1 182.311 1.456 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CC[C@@H]3C[C@@H]32)C1 575493389 352372276 /nfs/dbraw/zinc/37/22/76/352372276.db2.gz BFQADLJZMZQKAK-VWYCJHECSA-N 2 1 180.295 1.066 10 0 ADAEMP CC1C[NH+]([C@@]2(C[NH3+])CCC[C@@H]2C)C1 575493399 352372301 /nfs/dbraw/zinc/37/23/01/352372301.db2.gz BOVXXOAOPCEFTC-WDEREUQCSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1C[NH+]([C@@]2(C[NH3+])CCC2(C)C)C1 575493542 352372954 /nfs/dbraw/zinc/37/29/54/352372954.db2.gz HIZSFTOAYOZPFS-LLVKDONJSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1C[NH+](C2(C[NH3+])CC(C)(C)C2)C1 575493429 352373098 /nfs/dbraw/zinc/37/30/98/352373098.db2.gz COAXXOSJLXHDCJ-UHFFFAOYSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CCC2(C)C)C1 575493546 352373179 /nfs/dbraw/zinc/37/31/79/352373179.db2.gz HIZSFTOAYOZPFS-NSHDSACASA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1[NH3+] 575494058 352376321 /nfs/dbraw/zinc/37/63/21/352376321.db2.gz LKTMQDQICNQTHV-ONGXEEELSA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@@H]1[NH3+] 575494056 352376462 /nfs/dbraw/zinc/37/64/62/352376462.db2.gz LKTMQDQICNQTHV-KOLCDFICSA-N 2 1 180.295 1.232 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC=CC2)C[C@H]1[NH3+] 575494054 352376492 /nfs/dbraw/zinc/37/64/92/352376492.db2.gz LKTMQDQICNQTHV-GXSJLCMTSA-N 2 1 180.295 1.232 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CC[C@H]2C)C1 575494547 352378664 /nfs/dbraw/zinc/37/86/64/352378664.db2.gz VDUDCDWPULWKCI-ZJUUUORDSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])C[C@@H](C)[C@H]2C)C1 575494529 352378692 /nfs/dbraw/zinc/37/86/92/352378692.db2.gz UUUYHLFBEPONNY-MXWKQRLJSA-N 2 1 182.311 1.312 10 0 ADAEMP CC1C[NH+]([C@@]2(C[NH3+])CC[C@H]2C)C1 575494540 352378815 /nfs/dbraw/zinc/37/88/15/352378815.db2.gz VDUDCDWPULWKCI-NXEZZACHSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])C[C@@H](C)[C@@H]2C)C1 575494530 352378862 /nfs/dbraw/zinc/37/88/62/352378862.db2.gz UUUYHLFBEPONNY-VWYCJHECSA-N 2 1 182.311 1.312 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])C[C@H](C)[C@H]2C)C1 575494525 352378872 /nfs/dbraw/zinc/37/88/72/352378872.db2.gz UUUYHLFBEPONNY-AXFHLTTASA-N 2 1 182.311 1.312 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])C[C@H](C)[C@@H]2C)C1 575494526 352378900 /nfs/dbraw/zinc/37/89/00/352378900.db2.gz UUUYHLFBEPONNY-DCAQKATOSA-N 2 1 182.311 1.312 10 0 ADAEMP CC1C[NH+]([C@@]2(C[NH3+])CC[C@@H]2C)C1 575494543 352378946 /nfs/dbraw/zinc/37/89/46/352378946.db2.gz VDUDCDWPULWKCI-VHSXEESVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1C[NH+]([C@]2(C[NH3+])CC[C@@H]2C)C1 575494542 352378965 /nfs/dbraw/zinc/37/89/65/352378965.db2.gz VDUDCDWPULWKCI-UWVGGRQHSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](CC2CC=CC2)C1 575494659 352379351 /nfs/dbraw/zinc/37/93/51/352379351.db2.gz OGPYHFVMKAXVNJ-LLVKDONJSA-N 2 1 180.295 1.376 10 0 ADAEMP CC1C[NH+](C2(C[NH3+])CC(C)C2)C1 575494653 352379394 /nfs/dbraw/zinc/37/93/94/352379394.db2.gz WDEMIEAEFMUEAV-UHFFFAOYSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](CC2CC=CC2)C1 575494660 352379791 /nfs/dbraw/zinc/37/97/91/352379791.db2.gz OGPYHFVMKAXVNJ-NSHDSACASA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496901 352387475 /nfs/dbraw/zinc/38/74/75/352387475.db2.gz CAHZIPRDSQVFKG-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[N@H+]1C[C@@H](C[NH3+])C2(CCC2)C1 575496933 352387535 /nfs/dbraw/zinc/38/75/35/352387535.db2.gz CPCIYIQKOFYELV-SECBINFHSA-N 2 1 168.284 1.067 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 575496903 352387638 /nfs/dbraw/zinc/38/76/38/352387638.db2.gz CAHZIPRDSQVFKG-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496904 352387663 /nfs/dbraw/zinc/38/76/63/352387663.db2.gz CAHZIPRDSQVFKG-ZRUFSTJUSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496902 352387708 /nfs/dbraw/zinc/38/77/08/352387708.db2.gz CAHZIPRDSQVFKG-XWLWVQCSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497117 352388406 /nfs/dbraw/zinc/38/84/06/352388406.db2.gz DJDRKWPZUHXOMN-LPEHRKFASA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497116 352388409 /nfs/dbraw/zinc/38/84/09/352388409.db2.gz DJDRKWPZUHXOMN-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575497099 352388418 /nfs/dbraw/zinc/38/84/18/352388418.db2.gz CSJVWDBZGPKUSK-AOOOYVTPSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+]1C[C@H](C[NH3+])C2(CCC2)C1 575497085 352388431 /nfs/dbraw/zinc/38/84/31/352388431.db2.gz CPCIYIQKOFYELV-VIFPVBQESA-N 2 1 168.284 1.067 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575497533 352390222 /nfs/dbraw/zinc/39/02/22/352390222.db2.gz IQNPWWQWFCQUIO-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575497532 352390448 /nfs/dbraw/zinc/39/04/48/352390448.db2.gz IQNPWWQWFCQUIO-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1=CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497739 352390943 /nfs/dbraw/zinc/39/09/43/352390943.db2.gz KKIUGXWZBSCRQF-PHIMTYICSA-N 2 1 180.295 1.376 10 0 ADAEMP CC1=CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 575497765 352391443 /nfs/dbraw/zinc/39/14/43/352391443.db2.gz LFLBFHFJRRKPHW-PHIMTYICSA-N 2 1 180.295 1.376 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497834 352391559 /nfs/dbraw/zinc/39/15/59/352391559.db2.gz MMDGTATZUHYTFV-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2CCC3(CC3)C2)C1 575497778 352391774 /nfs/dbraw/zinc/39/17/74/352391774.db2.gz LIUWXYBTBGQMRJ-UHFFFAOYSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575497835 352391783 /nfs/dbraw/zinc/39/17/83/352391783.db2.gz MMDGTATZUHYTFV-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575497828 352391885 /nfs/dbraw/zinc/39/18/85/352391885.db2.gz MHTBMCIEWCDNFC-WYNUPADASA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2CC[C@H]3C[C@H]3C2)C1 575497826 352391895 /nfs/dbraw/zinc/39/18/95/352391895.db2.gz MHTBMCIEWCDNFC-SEQHWMEXSA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2CCC=C(F)C2)C1 575498026 352393025 /nfs/dbraw/zinc/39/30/25/352393025.db2.gz RCSMBYLOUXGUPT-UHFFFAOYSA-N 2 1 184.258 1.283 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575498146 352393101 /nfs/dbraw/zinc/39/31/01/352393101.db2.gz TYDTWVVBYFZZHQ-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C1CC(C[N@@H+]2C[C@H]3CC[C@H]3C2)C1 575498166 352393153 /nfs/dbraw/zinc/39/31/53/352393153.db2.gz UIYQNNGEBFNTQP-GGWWSXTCSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575498145 352393191 /nfs/dbraw/zinc/39/31/91/352393191.db2.gz TYDTWVVBYFZZHQ-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]([NH3+])C1 575498096 352393351 /nfs/dbraw/zinc/39/33/51/352393351.db2.gz RQOMYOVHDKFGKQ-DTORHVGOSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C[C@@H]1C 575498256 352393807 /nfs/dbraw/zinc/39/38/07/352393807.db2.gz VNLCAZFGSHAZRA-DTIDVZRVSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C[NH3+])C2(CCC2)C1 575498329 352394391 /nfs/dbraw/zinc/39/43/91/352394391.db2.gz XEVOUFUNEXDEOJ-SNVBAGLBSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C[NH3+])C2(CCC2)C1 575498328 352394638 /nfs/dbraw/zinc/39/46/38/352394638.db2.gz XEVOUFUNEXDEOJ-JTQLQIEISA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CC([NH3+])C2)[C@@H]1C 575498478 352394876 /nfs/dbraw/zinc/39/48/76/352394876.db2.gz YRTCXCFKMJUFMU-IZUQBHJASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+](CC2CC([NH3+])C2)[C@H]1C 575498482 352395138 /nfs/dbraw/zinc/39/51/38/352395138.db2.gz YRTCXCFKMJUFMU-SAAXCQNUSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+](CC2CC([NH3+])C2)[C@@H]1C 575498481 352395266 /nfs/dbraw/zinc/39/52/66/352395266.db2.gz YRTCXCFKMJUFMU-NKVNRFPTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1CC1CC([NH3+])C1 575498480 352395291 /nfs/dbraw/zinc/39/52/91/352395291.db2.gz YRTCXCFKMJUFMU-MFQSTILNSA-N 2 1 182.311 1.454 10 0 ADAEMP CN(C1CCC1)[C@H]1CC[NH2+]C[C@H]1F 575498828 352397369 /nfs/dbraw/zinc/39/73/69/352397369.db2.gz FSQJRRVNOOZCDK-ZJUUUORDSA-N 2 1 186.274 1.171 10 0 ADAEMP CN(C1CCC1)[C@@H]1CC[NH2+]C[C@H]1F 575498825 352397161 /nfs/dbraw/zinc/39/71/61/352397161.db2.gz FSQJRRVNOOZCDK-NXEZZACHSA-N 2 1 186.274 1.171 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]2C1 575498885 352397258 /nfs/dbraw/zinc/39/72/58/352397258.db2.gz AHWMMMOQZHQMHQ-AXTSPUMRSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@@H]2C[C@@H]2C1 575498885 352397262 /nfs/dbraw/zinc/39/72/62/352397262.db2.gz AHWMMMOQZHQMHQ-AXTSPUMRSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC[C@H]2C[C@H]2C1 575498887 352397275 /nfs/dbraw/zinc/39/72/75/352397275.db2.gz AHWMMMOQZHQMHQ-XKNYDFJKSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC[C@H]2C[C@H]2C1 575498887 352397279 /nfs/dbraw/zinc/39/72/79/352397279.db2.gz AHWMMMOQZHQMHQ-XKNYDFJKSA-N 2 1 168.284 1.064 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 575498911 352397532 /nfs/dbraw/zinc/39/75/32/352397532.db2.gz BMMJUXZUWZKUSJ-GMTAPVOTSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575498911 352397534 /nfs/dbraw/zinc/39/75/34/352397534.db2.gz BMMJUXZUWZKUSJ-GMTAPVOTSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CC[C@H]3C[C@H]3C2)C1 575498910 352397621 /nfs/dbraw/zinc/39/76/21/352397621.db2.gz BMMJUXZUWZKUSJ-GARJFASQSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CC[C@H]3C[C@H]3C2)C1 575498910 352397623 /nfs/dbraw/zinc/39/76/23/352397623.db2.gz BMMJUXZUWZKUSJ-GARJFASQSA-N 2 1 180.295 1.080 10 0 ADAEMP CN(C1CCC1)[C@@H]1CC[NH2+]C[C@@H]1F 575498827 352397644 /nfs/dbraw/zinc/39/76/44/352397644.db2.gz FSQJRRVNOOZCDK-VHSXEESVSA-N 2 1 186.274 1.171 10 0 ADAEMP CN(C1CCC1)[C@H]1CC[NH2+]C[C@@H]1F 575498826 352397680 /nfs/dbraw/zinc/39/76/80/352397680.db2.gz FSQJRRVNOOZCDK-UWVGGRQHSA-N 2 1 186.274 1.171 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]2C[C@@H]2C1 575498986 352398447 /nfs/dbraw/zinc/39/84/47/352398447.db2.gz DMRPHFDWYXKHBM-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]2C1 575498986 352398450 /nfs/dbraw/zinc/39/84/50/352398450.db2.gz DMRPHFDWYXKHBM-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]2C[C@H]2C1 575498987 352398482 /nfs/dbraw/zinc/39/84/82/352398482.db2.gz DMRPHFDWYXKHBM-MMWGEVLESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]2C1 575498987 352398484 /nfs/dbraw/zinc/39/84/84/352398484.db2.gz DMRPHFDWYXKHBM-MMWGEVLESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C1(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CCC1 575499148 352398981 /nfs/dbraw/zinc/39/89/81/352398981.db2.gz GCVUCXRHOKOIMY-NXEZZACHSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C1(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CCC1 575499148 352398986 /nfs/dbraw/zinc/39/89/86/352398986.db2.gz GCVUCXRHOKOIMY-NXEZZACHSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C1(C[N@@H+]2CC[C@H]3C[C@H]3C2)CCC1 575499149 352399007 /nfs/dbraw/zinc/39/90/07/352399007.db2.gz GCVUCXRHOKOIMY-UWVGGRQHSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C1(C[N@H+]2CC[C@H]3C[C@H]3C2)CCC1 575499149 352399011 /nfs/dbraw/zinc/39/90/11/352399011.db2.gz GCVUCXRHOKOIMY-UWVGGRQHSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H]1C 575499293 352399732 /nfs/dbraw/zinc/39/97/32/352399732.db2.gz CYZLLORBDLRAGD-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 575499291 352399926 /nfs/dbraw/zinc/39/99/26/352399926.db2.gz CYZLLORBDLRAGD-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 575499294 352399912 /nfs/dbraw/zinc/39/99/12/352399912.db2.gz CYZLLORBDLRAGD-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H]1C 575499292 352400052 /nfs/dbraw/zinc/40/00/52/352400052.db2.gz CYZLLORBDLRAGD-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 575499507 352401241 /nfs/dbraw/zinc/40/12/41/352401241.db2.gz IZWLNEDAGGRRRB-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 575499504 352401361 /nfs/dbraw/zinc/40/13/61/352401361.db2.gz IZWLNEDAGGRRRB-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]2C1 575499781 352403226 /nfs/dbraw/zinc/40/32/26/352403226.db2.gz OOZADERXKNSVBP-YTWAJWBKSA-N 2 1 180.295 1.066 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CC[C@H]2C[C@H]2C1 575499775 352403169 /nfs/dbraw/zinc/40/31/69/352403169.db2.gz OOZADERXKNSVBP-NAKRPEOUSA-N 2 1 180.295 1.066 10 0 ADAEMP C1CC([N@H+]2CC[C@@H]3C[C@@H]3C2)CC[NH2+]1 575500072 352405195 /nfs/dbraw/zinc/40/51/95/352405195.db2.gz QNPXQDKGTQJMQS-NXEZZACHSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC([N@H+]2CC[C@H]3C[C@H]3C2)CC[NH2+]1 575500074 352405565 /nfs/dbraw/zinc/40/55/65/352405565.db2.gz QNPXQDKGTQJMQS-UWVGGRQHSA-N 2 1 180.295 1.080 10 0 ADAEMP CC(C)(C[NH3+])[N@@H+]1CC[C@@H]2C[C@@H]2C1 575500547 352407425 /nfs/dbraw/zinc/40/74/25/352407425.db2.gz UCBSBQNOBGXXJX-RKDXNWHRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@@H]2C[C@@H]2C1 575500547 352407428 /nfs/dbraw/zinc/40/74/28/352407428.db2.gz UCBSBQNOBGXXJX-RKDXNWHRSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C[NH3+])[N@@H+]1CC[C@H]2C[C@H]2C1 575500546 352407618 /nfs/dbraw/zinc/40/76/18/352407618.db2.gz UCBSBQNOBGXXJX-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@H]2C[C@H]2C1 575500546 352407619 /nfs/dbraw/zinc/40/76/19/352407619.db2.gz UCBSBQNOBGXXJX-IUCAKERBSA-N 2 1 168.284 1.066 10 0 ADAEMP C1C[NH2+][C@H](C[N@@H+]2CC[C@H]3C[C@H]3C2)C1 575500977 352409602 /nfs/dbraw/zinc/40/96/02/352409602.db2.gz WLCDIPQOMCENDC-DCAQKATOSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+][C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C1 575500977 352409606 /nfs/dbraw/zinc/40/96/06/352409606.db2.gz WLCDIPQOMCENDC-DCAQKATOSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+][C@H](C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 575500985 352409645 /nfs/dbraw/zinc/40/96/45/352409645.db2.gz WLCDIPQOMCENDC-MXWKQRLJSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+][C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575500985 352409647 /nfs/dbraw/zinc/40/96/47/352409647.db2.gz WLCDIPQOMCENDC-MXWKQRLJSA-N 2 1 180.295 1.080 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575501217 352410878 /nfs/dbraw/zinc/41/08/78/352410878.db2.gz ZAZAQXYFBHUTIV-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]3C2)C1 575501219 352411265 /nfs/dbraw/zinc/41/12/65/352411265.db2.gz ZAZAQXYFBHUTIV-MMWGEVLESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@H]1C[N@H+](C2CC2)CC12CCC2 575502705 352418231 /nfs/dbraw/zinc/41/82/31/352418231.db2.gz YCVDUBVZCJZSBW-VIFPVBQESA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+]C[C@@H]1C[N@H+](C2CC2)CC12CCC2 575502703 352418411 /nfs/dbraw/zinc/41/84/11/352418411.db2.gz YCVDUBVZCJZSBW-SECBINFHSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@H]1C=CCC1 575503177 352420669 /nfs/dbraw/zinc/42/06/69/352420669.db2.gz DXZMNTBSMSHMLC-VWYCJHECSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@H]1C=CCC1 575503175 352420789 /nfs/dbraw/zinc/42/07/89/352420789.db2.gz DXZMNTBSMSHMLC-MXWKQRLJSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1[C@@H]1C=CCC1 575503176 352420844 /nfs/dbraw/zinc/42/08/44/352420844.db2.gz DXZMNTBSMSHMLC-OUAUKWLOSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1[C@@H]1C=CCC1 575503174 352420921 /nfs/dbraw/zinc/42/09/21/352420921.db2.gz DXZMNTBSMSHMLC-GMTAPVOTSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@H]1c2ccccc2C[C@@]1([NH3+])C[NH3+] 575503251 352421370 /nfs/dbraw/zinc/42/13/70/352421370.db2.gz IJJXUUHCDHZDJX-GZMMTYOYSA-N 2 1 176.263 1.002 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C=CCC2)CCC[NH2+]1 575503273 352421421 /nfs/dbraw/zinc/42/14/21/352421421.db2.gz JSRJCOZFSGYBBW-GHMZBOCLSA-N 2 1 180.295 1.389 10 0 ADAEMP C[C@H]1c2ccccc2C[C@]1([NH3+])C[NH3+] 575503253 352421528 /nfs/dbraw/zinc/42/15/28/352421528.db2.gz IJJXUUHCDHZDJX-KWQFWETISA-N 2 1 176.263 1.002 10 0 ADAEMP C[C@H]1C[N@H+]([C@@H]2C=CCC2)CCC[NH2+]1 575503276 352421682 /nfs/dbraw/zinc/42/16/82/352421682.db2.gz JSRJCOZFSGYBBW-WDEREUQCSA-N 2 1 180.295 1.389 10 0 ADAEMP C[C@@H]1c2ccccc2C[C@]1([NH3+])C[NH3+] 575503252 352421759 /nfs/dbraw/zinc/42/17/59/352421759.db2.gz IJJXUUHCDHZDJX-KCJUWKMLSA-N 2 1 176.263 1.002 10 0 ADAEMP C[C@H]1C[N@H+]([C@H]2C=CCC2)CCC[NH2+]1 575503275 352421827 /nfs/dbraw/zinc/42/18/27/352421827.db2.gz JSRJCOZFSGYBBW-QWRGUYRKSA-N 2 1 180.295 1.389 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2C=CCC2)CCC[NH2+]1 575503274 352421841 /nfs/dbraw/zinc/42/18/41/352421841.db2.gz JSRJCOZFSGYBBW-MNOVXSKESA-N 2 1 180.295 1.389 10 0 ADAEMP C[C@@H]1c2ccccc2C[C@@]1([NH3+])C[NH3+] 575503254 352421880 /nfs/dbraw/zinc/42/18/80/352421880.db2.gz IJJXUUHCDHZDJX-LDYMZIIASA-N 2 1 176.263 1.002 10 0 ADAEMP C[NH2+]C1CC[NH+]([C@@H]2C=CCC2)CC1 575503517 352422972 /nfs/dbraw/zinc/42/29/72/352422972.db2.gz SMEAIVHTDZSHRV-LLVKDONJSA-N 2 1 180.295 1.389 10 0 ADAEMP C[NH2+]C1CC[NH+]([C@H]2C=CCC2)CC1 575503518 352423098 /nfs/dbraw/zinc/42/30/98/352423098.db2.gz SMEAIVHTDZSHRV-NSHDSACASA-N 2 1 180.295 1.389 10 0 ADAEMP C1=C[C@@H]([N@@H+]2CCC[NH2+]CC2)CC1 575503483 352423110 /nfs/dbraw/zinc/42/31/10/352423110.db2.gz RDXAOLBDUPMDGI-SNVBAGLBSA-N 2 1 166.268 1.000 10 0 ADAEMP C1=C[C@@H]([N@H+]2CCC[NH2+]CC2)CC1 575503483 352423112 /nfs/dbraw/zinc/42/31/12/352423112.db2.gz RDXAOLBDUPMDGI-SNVBAGLBSA-N 2 1 166.268 1.000 10 0 ADAEMP C1=C[C@H]([N@@H+]2CCC[NH2+]CC2)CC1 575503482 352423230 /nfs/dbraw/zinc/42/32/30/352423230.db2.gz RDXAOLBDUPMDGI-JTQLQIEISA-N 2 1 166.268 1.000 10 0 ADAEMP C1=C[C@H]([N@H+]2CCC[NH2+]CC2)CC1 575503482 352423235 /nfs/dbraw/zinc/42/32/35/352423235.db2.gz RDXAOLBDUPMDGI-JTQLQIEISA-N 2 1 166.268 1.000 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C=CCC2)CC[C@@H]1[NH3+] 575503592 352423671 /nfs/dbraw/zinc/42/36/71/352423671.db2.gz WAPFKHRIHGWZEU-MXWKQRLJSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2C=CCC2)CC[C@H]1[NH3+] 575503593 352423991 /nfs/dbraw/zinc/42/39/91/352423991.db2.gz WAPFKHRIHGWZEU-OUAUKWLOSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2C=CCC2)CC[C@@H]1[NH3+] 575503594 352424008 /nfs/dbraw/zinc/42/40/08/352424008.db2.gz WAPFKHRIHGWZEU-VWYCJHECSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C=CCC2)CC[C@H]1[NH3+] 575503591 352424095 /nfs/dbraw/zinc/42/40/95/352424095.db2.gz WAPFKHRIHGWZEU-GMTAPVOTSA-N 2 1 180.295 1.374 10 0 ADAEMP CC[C@](C)([NH3+])C[NH+]1CC(C)C1 575504008 352425122 /nfs/dbraw/zinc/42/51/22/352425122.db2.gz BYKGSADWIQTTJV-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2CC(N)=[NH2+] 575504252 352425817 /nfs/dbraw/zinc/42/58/17/352425817.db2.gz FYUJUZHYEXTMNT-CBLAIPOGSA-N 2 1 181.283 1.185 10 0 ADAEMP CC[C@@](C)([NH3+])C[NH+]1CC(C)C1 575504007 352425449 /nfs/dbraw/zinc/42/54/49/352425449.db2.gz BYKGSADWIQTTJV-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC(N)=[NH2+] 575504252 352425815 /nfs/dbraw/zinc/42/58/15/352425815.db2.gz FYUJUZHYEXTMNT-CBLAIPOGSA-N 2 1 181.283 1.185 10 0 ADAEMP Cc1[nH+]cc(/C=C/[C@H](C)[NH3+])n1C 575510354 352459400 /nfs/dbraw/zinc/45/94/00/352459400.db2.gz BCPIVGSTJSCQKA-KPJROHGDSA-N 2 1 165.240 1.089 10 0 ADAEMP Cc1[nH+]cc(/C=C/[C@@H](C)[NH3+])n1C 575510355 352459780 /nfs/dbraw/zinc/45/97/80/352459780.db2.gz BCPIVGSTJSCQKA-SMMXGFFBSA-N 2 1 165.240 1.089 10 0 ADAEMP CC(C)(C[NH3+])[NH+]1CCC(F)CC1 575510790 352462241 /nfs/dbraw/zinc/46/22/41/352462241.db2.gz MZNBZIJLYXZJMW-UHFFFAOYSA-N 2 1 174.263 1.158 10 0 ADAEMP Cc1[nH+]cc([C@H]2C[NH2+]C[C@H]2C)n1C 575510961 352462775 /nfs/dbraw/zinc/46/27/75/352462775.db2.gz OKPXXBWORCLDFG-APPZFPTMSA-N 2 1 179.267 1.051 10 0 ADAEMP Cc1[nH+]cc([C@@H]2C[NH2+]C[C@H]2C)n1C 575510966 352462810 /nfs/dbraw/zinc/46/28/10/352462810.db2.gz OKPXXBWORCLDFG-VXNVDRBHSA-N 2 1 179.267 1.051 10 0 ADAEMP Cc1[nH+]cc([C@H]2C[NH2+]C[C@@H]2C)n1C 575510962 352463033 /nfs/dbraw/zinc/46/30/33/352463033.db2.gz OKPXXBWORCLDFG-CBAPKCEASA-N 2 1 179.267 1.051 10 0 ADAEMP Cc1[nH+]cc([C@@H]2C[NH2+]C[C@@H]2C)n1C 575510964 352463038 /nfs/dbraw/zinc/46/30/38/352463038.db2.gz OKPXXBWORCLDFG-IONNQARKSA-N 2 1 179.267 1.051 10 0 ADAEMP C/C(=C/c1c[nH+]c(C)n1C)C[NH3+] 575511105 352463565 /nfs/dbraw/zinc/46/35/65/352463565.db2.gz PQAXYFYKVDJIIA-DAXSKMNVSA-N 2 1 165.240 1.091 10 0 ADAEMP C/C(=C\c1c[nH+]c(C)n1C)C[NH3+] 575511106 352463744 /nfs/dbraw/zinc/46/37/44/352463744.db2.gz PQAXYFYKVDJIIA-QPJJXVBHSA-N 2 1 165.240 1.091 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+](C)C2CCC2)CC[NH2+]1 575511159 352464323 /nfs/dbraw/zinc/46/43/23/352464323.db2.gz CAHNZNKIHVKCNU-GXSJLCMTSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+](C)C2CCC2)CC[NH2+]1 575511167 352464396 /nfs/dbraw/zinc/46/43/96/352464396.db2.gz CAHNZNKIHVKCNU-ONGXEEELSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+](C)C2CCC2)CC[NH2+]1 575511166 352464440 /nfs/dbraw/zinc/46/44/40/352464440.db2.gz CAHNZNKIHVKCNU-MWLCHTKSSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+](C)C2CCC2)CC[NH2+]1 575511165 352464682 /nfs/dbraw/zinc/46/46/82/352464682.db2.gz CAHNZNKIHVKCNU-KOLCDFICSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+][C@H](C)CS2 575511307 352465087 /nfs/dbraw/zinc/46/50/87/352465087.db2.gz COYVZNIDKKBQHT-HLTSFMKQSA-N 2 1 186.324 1.180 10 0 ADAEMP C[C@H]1CS[C@@]2(CC[NH2+][C@H](C)C2)[NH2+]1 575511309 352465239 /nfs/dbraw/zinc/46/52/39/352465239.db2.gz COYVZNIDKKBQHT-HRDYMLBCSA-N 2 1 186.324 1.180 10 0 ADAEMP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+][C@H](C)CS2 575511310 352465379 /nfs/dbraw/zinc/46/53/79/352465379.db2.gz COYVZNIDKKBQHT-IWSPIJDZSA-N 2 1 186.324 1.180 10 0 ADAEMP C[C@H]1CS[C@]2(CC[NH2+][C@H](C)C2)[NH2+]1 575511312 352465578 /nfs/dbraw/zinc/46/55/78/352465578.db2.gz COYVZNIDKKBQHT-VGMNWLOBSA-N 2 1 186.324 1.180 10 0 ADAEMP CCC(C)(C)[N@@H+]1CC[C@H]1C[NH3+] 575515843 352491213 /nfs/dbraw/zinc/49/12/13/352491213.db2.gz UMYQUCZTFPASOG-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP Cc1[nH+]cc([C@H]2[C@@H]([NH3+])C2(C)C)n1C 575511460 352466982 /nfs/dbraw/zinc/46/69/82/352466982.db2.gz SWEHGXGMXQNEKU-DTWKUNHWSA-N 2 1 179.267 1.179 10 0 ADAEMP Cc1[nH+]cc([C@@H]2[C@@H]([NH3+])C2(C)C)n1C 575511462 352467104 /nfs/dbraw/zinc/46/71/04/352467104.db2.gz SWEHGXGMXQNEKU-RKDXNWHRSA-N 2 1 179.267 1.179 10 0 ADAEMP Cc1[nH+]cc([C@@H]2[C@H]([NH3+])C2(C)C)n1C 575511459 352467107 /nfs/dbraw/zinc/46/71/07/352467107.db2.gz SWEHGXGMXQNEKU-BDAKNGLRSA-N 2 1 179.267 1.179 10 0 ADAEMP Cc1[nH+]cc([C@H]2[C@H]([NH3+])C2(C)C)n1C 575511461 352467138 /nfs/dbraw/zinc/46/71/38/352467138.db2.gz SWEHGXGMXQNEKU-IUCAKERBSA-N 2 1 179.267 1.179 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@H](F)C1 575511662 352467588 /nfs/dbraw/zinc/46/75/88/352467588.db2.gz URENMOVHJFXLRL-LPEHRKFASA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC[C@H](F)C1 575511662 352467590 /nfs/dbraw/zinc/46/75/90/352467590.db2.gz URENMOVHJFXLRL-LPEHRKFASA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@H](F)C1 575511660 352467617 /nfs/dbraw/zinc/46/76/17/352467617.db2.gz URENMOVHJFXLRL-GUBZILKMSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@H](F)C1 575511660 352467618 /nfs/dbraw/zinc/46/76/18/352467618.db2.gz URENMOVHJFXLRL-GUBZILKMSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H](F)C1 575511659 352467807 /nfs/dbraw/zinc/46/78/07/352467807.db2.gz URENMOVHJFXLRL-AEJSXWLSSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC[C@@H](F)C1 575511659 352467810 /nfs/dbraw/zinc/46/78/10/352467810.db2.gz URENMOVHJFXLRL-AEJSXWLSSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H](F)C1 575511661 352467864 /nfs/dbraw/zinc/46/78/64/352467864.db2.gz URENMOVHJFXLRL-IVZWLZJFSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC[C@@H](F)C1 575511661 352467866 /nfs/dbraw/zinc/46/78/66/352467866.db2.gz URENMOVHJFXLRL-IVZWLZJFSA-N 2 1 186.274 1.158 10 0 ADAEMP Cc1[nH+]cc([C@@H]2CC[NH2+][C@@H]2C)n1C 575511836 352468694 /nfs/dbraw/zinc/46/86/94/352468694.db2.gz WPCQCXWVQHQCMX-VXNVDRBHSA-N 2 1 179.267 1.194 10 0 ADAEMP Cc1[nH+]cc([C@@H]2CC[NH2+][C@H]2C)n1C 575511835 352468700 /nfs/dbraw/zinc/46/87/00/352468700.db2.gz WPCQCXWVQHQCMX-IONNQARKSA-N 2 1 179.267 1.194 10 0 ADAEMP Cc1[nH+]cc([C@H]2CC[NH2+][C@H]2C)n1C 575511834 352468820 /nfs/dbraw/zinc/46/88/20/352468820.db2.gz WPCQCXWVQHQCMX-CBAPKCEASA-N 2 1 179.267 1.194 10 0 ADAEMP Cc1[nH+]cc([C@H]2C[NH2+][C@@H](C)C2)n1C 575512056 352470219 /nfs/dbraw/zinc/47/02/19/352470219.db2.gz ZECBLVREIPFIAH-IONNQARKSA-N 2 1 179.267 1.194 10 0 ADAEMP [NH3+]CC1([NH+]2CCC(F)CC2)CCC1 575512090 352470269 /nfs/dbraw/zinc/47/02/69/352470269.db2.gz ZKVDMJLNMDFVMO-UHFFFAOYSA-N 2 1 186.274 1.302 10 0 ADAEMP Cc1[nH+]cc([C@@H]2C[NH2+][C@@H](C)C2)n1C 575512054 352470273 /nfs/dbraw/zinc/47/02/73/352470273.db2.gz ZECBLVREIPFIAH-CBAPKCEASA-N 2 1 179.267 1.194 10 0 ADAEMP Cc1[nH+]cc([C@@H]2C[NH2+][C@H](C)C2)n1C 575512052 352470400 /nfs/dbraw/zinc/47/04/00/352470400.db2.gz ZECBLVREIPFIAH-APPZFPTMSA-N 2 1 179.267 1.194 10 0 ADAEMP Cc1[nH+]cc([C@H]2C[NH2+][C@H](C)C2)n1C 575512057 352470421 /nfs/dbraw/zinc/47/04/21/352470421.db2.gz ZECBLVREIPFIAH-VXNVDRBHSA-N 2 1 179.267 1.194 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+](C)C2CC2)CC[NH2+]1 575512354 352471545 /nfs/dbraw/zinc/47/15/45/352471545.db2.gz NWVLKLMHNWIGFL-PSASIEDQSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+](C)C2CC2)CC[NH2+]1 575512355 352471575 /nfs/dbraw/zinc/47/15/75/352471575.db2.gz NWVLKLMHNWIGFL-SCZZXKLOSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@H]1C[C@H]([N@@H+](C)C2CC2)CC[NH2+]1 575512356 352472150 /nfs/dbraw/zinc/47/21/50/352472150.db2.gz NWVLKLMHNWIGFL-WCBMZHEXSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+](C)C2CC2)CC[NH2+]1 575512357 352472220 /nfs/dbraw/zinc/47/22/20/352472220.db2.gz NWVLKLMHNWIGFL-WPRPVWTQSA-N 2 1 168.284 1.221 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@H]3C2)CC[NH2+]1 575512461 352472573 /nfs/dbraw/zinc/47/25/73/352472573.db2.gz OVGUICYPRCTOGH-CHWFTXMASA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@H]3C2)CC[NH2+]1 575512464 352472593 /nfs/dbraw/zinc/47/25/93/352472593.db2.gz OVGUICYPRCTOGH-ZNSHCXBVSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@H]1C[NH2+][C@@]2(CC[NH2+][C@H](C)C2)S1 575512999 352475891 /nfs/dbraw/zinc/47/58/91/352475891.db2.gz WSJBSKLAEAYFQM-VGMNWLOBSA-N 2 1 186.324 1.180 10 0 ADAEMP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+]C[C@@H](C)S2 575512996 352475904 /nfs/dbraw/zinc/47/59/04/352475904.db2.gz WSJBSKLAEAYFQM-HLTSFMKQSA-N 2 1 186.324 1.180 10 0 ADAEMP C[C@H]1C[NH2+][C@]2(CC[NH2+][C@H](C)C2)S1 575512997 352475927 /nfs/dbraw/zinc/47/59/27/352475927.db2.gz WSJBSKLAEAYFQM-HRDYMLBCSA-N 2 1 186.324 1.180 10 0 ADAEMP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+]C[C@@H](C)S2 575512998 352475975 /nfs/dbraw/zinc/47/59/75/352475975.db2.gz WSJBSKLAEAYFQM-IWSPIJDZSA-N 2 1 186.324 1.180 10 0 ADAEMP C[NH2+]C1(C[NH3+])CCC2(CC2)CC1 575513078 352475992 /nfs/dbraw/zinc/47/59/92/352475992.db2.gz YXMAKOJTHLDULE-UHFFFAOYSA-N 2 1 168.284 1.258 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CC[NH2+]C(C)(C)C1 575513089 352476426 /nfs/dbraw/zinc/47/64/26/352476426.db2.gz ZCJYBGJJMGHUHA-JTQLQIEISA-N 2 1 182.311 1.611 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C(C)(C)C1 575513090 352476719 /nfs/dbraw/zinc/47/67/19/352476719.db2.gz ZCJYBGJJMGHUHA-SNVBAGLBSA-N 2 1 182.311 1.611 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@H]1CN 575513377 352477029 /nfs/dbraw/zinc/47/70/29/352477029.db2.gz AJYRNHWVKZDVGJ-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@@H]1C[NH3+] 575513377 352477033 /nfs/dbraw/zinc/47/70/33/352477033.db2.gz AJYRNHWVKZDVGJ-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]1CN 575513376 352477213 /nfs/dbraw/zinc/47/72/13/352477213.db2.gz AJYRNHWVKZDVGJ-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@H]1C[NH3+] 575513376 352477220 /nfs/dbraw/zinc/47/72/20/352477220.db2.gz AJYRNHWVKZDVGJ-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]1CN 575513375 352477457 /nfs/dbraw/zinc/47/74/57/352477457.db2.gz AJYRNHWVKZDVGJ-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1CC[C@@H]1C[NH3+] 575513375 352477466 /nfs/dbraw/zinc/47/74/66/352477466.db2.gz AJYRNHWVKZDVGJ-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@H]1CN 575513374 352477482 /nfs/dbraw/zinc/47/74/82/352477482.db2.gz AJYRNHWVKZDVGJ-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@H](C)[N@H+]1CC[C@H]1C[NH3+] 575513374 352477491 /nfs/dbraw/zinc/47/74/91/352477491.db2.gz AJYRNHWVKZDVGJ-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC1([N@@H+]2CC[C@H]2C[NH3+])CCCC1 575513454 352477762 /nfs/dbraw/zinc/47/77/62/352477762.db2.gz CGKBAZVVCNNTPH-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CC1([N@H+]2CC[C@H]2C[NH3+])CCCC1 575513454 352477763 /nfs/dbraw/zinc/47/77/63/352477763.db2.gz CGKBAZVVCNNTPH-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CC1([N@@H+]2CC[C@@H]2C[NH3+])CCCC1 575513453 352477938 /nfs/dbraw/zinc/47/79/38/352477938.db2.gz CGKBAZVVCNNTPH-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC1([N@H+]2CC[C@@H]2C[NH3+])CCCC1 575513453 352477941 /nfs/dbraw/zinc/47/79/41/352477941.db2.gz CGKBAZVVCNNTPH-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC1(C)CC([N@@H+]2CC[C@@H]2CN)C1 575513647 352478796 /nfs/dbraw/zinc/47/87/96/352478796.db2.gz DOCJPFYIECAYDF-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC([N@H+]2CC[C@@H]2CN)C1 575513647 352478799 /nfs/dbraw/zinc/47/87/99/352478799.db2.gz DOCJPFYIECAYDF-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC([N@@H+]2CC[C@@H]2C[NH3+])C1 575513647 352478802 /nfs/dbraw/zinc/47/88/02/352478802.db2.gz DOCJPFYIECAYDF-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC([N@H+]2CC[C@@H]2C[NH3+])C1 575513647 352478805 /nfs/dbraw/zinc/47/88/05/352478805.db2.gz DOCJPFYIECAYDF-MRVPVSSYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CCC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575513699 352479474 /nfs/dbraw/zinc/47/94/74/352479474.db2.gz FSRDVPXEVZWNMM-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575513699 352479476 /nfs/dbraw/zinc/47/94/76/352479476.db2.gz FSRDVPXEVZWNMM-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC([N@@H+]2CC[C@H]2C[NH3+])C1 575513648 352479833 /nfs/dbraw/zinc/47/98/33/352479833.db2.gz DOCJPFYIECAYDF-QMMMGPOBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC([N@H+]2CC[C@H]2C[NH3+])C1 575513648 352479836 /nfs/dbraw/zinc/47/98/36/352479836.db2.gz DOCJPFYIECAYDF-QMMMGPOBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CCC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513697 352480006 /nfs/dbraw/zinc/48/00/06/352480006.db2.gz FSRDVPXEVZWNMM-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575513697 352480010 /nfs/dbraw/zinc/48/00/10/352480010.db2.gz FSRDVPXEVZWNMM-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575513696 352480064 /nfs/dbraw/zinc/48/00/64/352480064.db2.gz FSRDVPXEVZWNMM-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575513696 352480067 /nfs/dbraw/zinc/48/00/67/352480067.db2.gz FSRDVPXEVZWNMM-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575513698 352480095 /nfs/dbraw/zinc/48/00/95/352480095.db2.gz FSRDVPXEVZWNMM-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575513698 352480098 /nfs/dbraw/zinc/48/00/98/352480098.db2.gz FSRDVPXEVZWNMM-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CCC([N@@H+]2CC[C@@H]2C[NH3+])CC1 575514031 352481045 /nfs/dbraw/zinc/48/10/45/352481045.db2.gz IHLAYHMIDBTDGZ-VQXHTEKXSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CCC([N@H+]2CC[C@@H]2C[NH3+])CC1 575514031 352481048 /nfs/dbraw/zinc/48/10/48/352481048.db2.gz IHLAYHMIDBTDGZ-VQXHTEKXSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@@H]2C[C@@H]21 575513997 352481179 /nfs/dbraw/zinc/48/11/79/352481179.db2.gz HODVVNZXBHWRNB-VPOLOUISSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@@H]2C[C@@H]21 575513997 352481185 /nfs/dbraw/zinc/48/11/85/352481185.db2.gz HODVVNZXBHWRNB-VPOLOUISSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1CC[C@H]([N@@H+]2CC[C@@H]2C[NH3+])CC1 575514029 352481206 /nfs/dbraw/zinc/48/12/06/352481206.db2.gz IHLAYHMIDBTDGZ-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@H]([N@H+]2CC[C@@H]2C[NH3+])CC1 575514029 352481209 /nfs/dbraw/zinc/48/12/09/352481209.db2.gz IHLAYHMIDBTDGZ-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]2CN)C1 575513978 352481222 /nfs/dbraw/zinc/48/12/22/352481222.db2.gz HDGMUMLKKTZULD-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])C1 575513978 352481226 /nfs/dbraw/zinc/48/12/26/352481226.db2.gz HDGMUMLKKTZULD-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]2CN)C1 575513980 352481417 /nfs/dbraw/zinc/48/14/17/352481417.db2.gz HDGMUMLKKTZULD-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H]2C[NH3+])C1 575513980 352481420 /nfs/dbraw/zinc/48/14/20/352481420.db2.gz HDGMUMLKKTZULD-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@H+]2CC[C@H]2CN)C1 575513979 352481457 /nfs/dbraw/zinc/48/14/57/352481457.db2.gz HDGMUMLKKTZULD-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@@H]([N@@H+]2CC[C@H]2C[NH3+])C1 575513979 352481460 /nfs/dbraw/zinc/48/14/60/352481460.db2.gz HDGMUMLKKTZULD-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@H]2C[C@H]21 575513996 352481509 /nfs/dbraw/zinc/48/15/09/352481509.db2.gz HODVVNZXBHWRNB-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCC[C@H]2C[C@H]21 575513996 352481512 /nfs/dbraw/zinc/48/15/12/352481512.db2.gz HODVVNZXBHWRNB-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@H+]2CC[C@H]2CN)C1 575513981 352481520 /nfs/dbraw/zinc/48/15/20/352481520.db2.gz HDGMUMLKKTZULD-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[C@H]([N@@H+]2CC[C@H]2C[NH3+])C1 575513981 352481522 /nfs/dbraw/zinc/48/15/22/352481522.db2.gz HDGMUMLKKTZULD-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CCC([N@@H+]2CC[C@H]2C[NH3+])CC1 575514030 352481606 /nfs/dbraw/zinc/48/16/06/352481606.db2.gz IHLAYHMIDBTDGZ-ILDUYXDCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1CCC([N@H+]2CC[C@H]2C[NH3+])CC1 575514030 352481609 /nfs/dbraw/zinc/48/16/09/352481609.db2.gz IHLAYHMIDBTDGZ-ILDUYXDCSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]2C[NH3+])CC1 575514028 352481627 /nfs/dbraw/zinc/48/16/27/352481627.db2.gz IHLAYHMIDBTDGZ-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@H]([N@H+]2CC[C@H]2C[NH3+])CC1 575514028 352481630 /nfs/dbraw/zinc/48/16/30/352481630.db2.gz IHLAYHMIDBTDGZ-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP NC[C@@H]1CC[N@H+]1[C@@H]1CC[C@@H]2C[C@@H]2C1 575514063 352481853 /nfs/dbraw/zinc/48/18/53/352481853.db2.gz IRKXSZBRHZUZBN-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CC[C@@H]2C[C@@H]2C1 575514063 352481858 /nfs/dbraw/zinc/48/18/58/352481858.db2.gz IRKXSZBRHZUZBN-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP NC[C@@H]1CC[N@H+]1[C@@H]1CC[C@H]2C[C@H]2C1 575514065 352482304 /nfs/dbraw/zinc/48/23/04/352482304.db2.gz IRKXSZBRHZUZBN-MMWGEVLESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CC[C@H]2C[C@H]2C1 575514065 352482308 /nfs/dbraw/zinc/48/23/08/352482308.db2.gz IRKXSZBRHZUZBN-MMWGEVLESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC[C@H](F)C2)C1 575514195 352482565 /nfs/dbraw/zinc/48/25/65/352482565.db2.gz FXCJZCAWCSSTMA-AEJSXWLSSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC[C@@H](F)C2)C1 575514196 352482719 /nfs/dbraw/zinc/48/27/19/352482719.db2.gz FXCJZCAWCSSTMA-BBBLOLIVSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](F)C2)C1 575514198 352482738 /nfs/dbraw/zinc/48/27/38/352482738.db2.gz FXCJZCAWCSSTMA-OPRDCNLKSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCC[C@H](F)C2)C1 575514197 352482754 /nfs/dbraw/zinc/48/27/54/352482754.db2.gz FXCJZCAWCSSTMA-IVZWLZJFSA-N 2 1 186.274 1.300 10 0 ADAEMP CC1(C[NH+]2CCC(F)CC2)C[NH2+]C1 575514211 352482843 /nfs/dbraw/zinc/48/28/43/352482843.db2.gz GEPALMPHGKBCTK-UHFFFAOYSA-N 2 1 186.274 1.030 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@H+]1CC[C@H](F)C1 575514224 352482916 /nfs/dbraw/zinc/48/29/16/352482916.db2.gz WWADNCZLPLXOEO-KXUCPTDWSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@H+]1CC[C@@H](F)C1 575514225 352482933 /nfs/dbraw/zinc/48/29/33/352482933.db2.gz WWADNCZLPLXOEO-OPRDCNLKSA-N 2 1 186.274 1.158 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575514303 352483476 /nfs/dbraw/zinc/48/34/76/352483476.db2.gz IYCGJHIQDCDKOX-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575514303 352483478 /nfs/dbraw/zinc/48/34/78/352483478.db2.gz IYCGJHIQDCDKOX-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@@H+]1CC[C@H]1C[NH3+] 575514302 352483535 /nfs/dbraw/zinc/48/35/35/352483535.db2.gz IYCGJHIQDCDKOX-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575514302 352483538 /nfs/dbraw/zinc/48/35/38/352483538.db2.gz IYCGJHIQDCDKOX-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575514301 352483689 /nfs/dbraw/zinc/48/36/89/352483689.db2.gz IYCGJHIQDCDKOX-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575514301 352483690 /nfs/dbraw/zinc/48/36/90/352483690.db2.gz IYCGJHIQDCDKOX-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H]1C[NH3+] 575514304 352483719 /nfs/dbraw/zinc/48/37/19/352483719.db2.gz IYCGJHIQDCDKOX-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575514304 352483720 /nfs/dbraw/zinc/48/37/20/352483720.db2.gz IYCGJHIQDCDKOX-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)(C)C[N@@H+]1CC[C@H]1CN 575514943 352485823 /nfs/dbraw/zinc/48/58/23/352485823.db2.gz NERPUKCPKKSKDL-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@H]1CN 575514943 352485826 /nfs/dbraw/zinc/48/58/26/352485826.db2.gz NERPUKCPKKSKDL-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)C[N@@H+]1CC[C@H]1C[NH3+] 575514943 352485829 /nfs/dbraw/zinc/48/58/29/352485829.db2.gz NERPUKCPKKSKDL-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@H]1C[NH3+] 575514943 352485832 /nfs/dbraw/zinc/48/58/32/352485832.db2.gz NERPUKCPKKSKDL-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H]1CN 575514913 352486002 /nfs/dbraw/zinc/48/60/02/352486002.db2.gz MVXJIOYOFAYNLW-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H]1CN 575514915 352485858 /nfs/dbraw/zinc/48/58/58/352485858.db2.gz MVXJIOYOFAYNLW-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H]1C[NH3+] 575514915 352485863 /nfs/dbraw/zinc/48/58/63/352485863.db2.gz MVXJIOYOFAYNLW-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H]1C[NH3+] 575514907 352485958 /nfs/dbraw/zinc/48/59/58/352485958.db2.gz MVXJIOYOFAYNLW-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H]1C[NH3+] 575514907 352485961 /nfs/dbraw/zinc/48/59/61/352485961.db2.gz MVXJIOYOFAYNLW-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H]1C[NH3+] 575514913 352486007 /nfs/dbraw/zinc/48/60/07/352486007.db2.gz MVXJIOYOFAYNLW-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H]1CN 575514918 352486074 /nfs/dbraw/zinc/48/60/74/352486074.db2.gz MVXJIOYOFAYNLW-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H]1C[NH3+] 575514918 352486080 /nfs/dbraw/zinc/48/60/80/352486080.db2.gz MVXJIOYOFAYNLW-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C)C[N@@H+]1CC[C@@H]1CN 575514941 352486092 /nfs/dbraw/zinc/48/60/92/352486092.db2.gz NERPUKCPKKSKDL-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@@H]1CN 575514941 352486095 /nfs/dbraw/zinc/48/60/95/352486095.db2.gz NERPUKCPKKSKDL-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)C[N@@H+]1CC[C@@H]1C[NH3+] 575514941 352486098 /nfs/dbraw/zinc/48/60/98/352486098.db2.gz NERPUKCPKKSKDL-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)(C)C[N@H+]1CC[C@@H]1C[NH3+] 575514941 352486100 /nfs/dbraw/zinc/48/61/00/352486100.db2.gz NERPUKCPKKSKDL-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC1([N@@H+]2CC[C@H]2C[NH3+])CCCCC1 575515125 352486509 /nfs/dbraw/zinc/48/65/09/352486509.db2.gz ONYVLFQWXCWHOQ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC1([N@H+]2CC[C@H]2C[NH3+])CCCCC1 575515125 352486511 /nfs/dbraw/zinc/48/65/11/352486511.db2.gz ONYVLFQWXCWHOQ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP CC1([N@@H+]2CC[C@@H]2C[NH3+])CCCCC1 575515126 352486856 /nfs/dbraw/zinc/48/68/56/352486856.db2.gz ONYVLFQWXCWHOQ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CC1([N@H+]2CC[C@@H]2C[NH3+])CCCCC1 575515126 352486859 /nfs/dbraw/zinc/48/68/59/352486859.db2.gz ONYVLFQWXCWHOQ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]2C[NH3+])C1 575515226 352487245 /nfs/dbraw/zinc/48/72/45/352487245.db2.gz PKPCSHOALKKHLD-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2C[NH3+])C1 575515226 352487246 /nfs/dbraw/zinc/48/72/46/352487246.db2.gz PKPCSHOALKKHLD-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2C[NH3+])C1 575515230 352487419 /nfs/dbraw/zinc/48/74/19/352487419.db2.gz PKPCSHOALKKHLD-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2C[NH3+])C1 575515230 352487422 /nfs/dbraw/zinc/48/74/22/352487422.db2.gz PKPCSHOALKKHLD-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]2C[NH3+])C1 575515224 352487625 /nfs/dbraw/zinc/48/76/25/352487625.db2.gz PKPCSHOALKKHLD-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2C[NH3+])C1 575515224 352487628 /nfs/dbraw/zinc/48/76/28/352487628.db2.gz PKPCSHOALKKHLD-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])C1 575515228 352487667 /nfs/dbraw/zinc/48/76/67/352487667.db2.gz PKPCSHOALKKHLD-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2C[NH3+])C1 575515228 352487670 /nfs/dbraw/zinc/48/76/70/352487670.db2.gz PKPCSHOALKKHLD-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](F)C2)C1 575515314 352488071 /nfs/dbraw/zinc/48/80/71/352488071.db2.gz NQFAUOSBJUXXIM-OPRDCNLKSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CC[C@@H](F)C2)C1 575515310 352488092 /nfs/dbraw/zinc/48/80/92/352488092.db2.gz NQFAUOSBJUXXIM-BBBLOLIVSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CC[C@H](F)C2)C1 575515309 352488275 /nfs/dbraw/zinc/48/82/75/352488275.db2.gz NQFAUOSBJUXXIM-AEJSXWLSSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]([N@H+]2CC[C@H](F)C2)C1 575515311 352488451 /nfs/dbraw/zinc/48/84/51/352488451.db2.gz NQFAUOSBJUXXIM-IVZWLZJFSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+]C1(C[NH+]2CCC(F)CC2)CCC1 575515491 352489051 /nfs/dbraw/zinc/48/90/51/352489051.db2.gz PJANPILFJYQCCY-UHFFFAOYSA-N 2 1 186.274 1.302 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH+]1CCC(F)CC1 575515707 352490176 /nfs/dbraw/zinc/49/01/76/352490176.db2.gz STQJXPASDXENIL-JGVFFNPUSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]2CN)[C@@H]1C 575515801 352490254 /nfs/dbraw/zinc/49/02/54/352490254.db2.gz TYSLRFWKBDUIKQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]2CN)[C@@H]1C 575515801 352490258 /nfs/dbraw/zinc/49/02/58/352490258.db2.gz TYSLRFWKBDUIKQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]2C[NH3+])[C@@H]1C 575515801 352490267 /nfs/dbraw/zinc/49/02/67/352490267.db2.gz TYSLRFWKBDUIKQ-IMSYWVGJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@H]2CN)C[C@H]1C 575515802 352490335 /nfs/dbraw/zinc/49/03/35/352490335.db2.gz TYSLRFWKBDUIKQ-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@H]2CN)C[C@H]1C 575515802 352490339 /nfs/dbraw/zinc/49/03/39/352490339.db2.gz TYSLRFWKBDUIKQ-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@H]2C[NH3+])C[C@H]1C 575515802 352490342 /nfs/dbraw/zinc/49/03/42/352490342.db2.gz TYSLRFWKBDUIKQ-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@H]2C[NH3+])C[C@H]1C 575515802 352490345 /nfs/dbraw/zinc/49/03/45/352490345.db2.gz TYSLRFWKBDUIKQ-KATARQTJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2CN)[C@@H]1C 575515804 352490358 /nfs/dbraw/zinc/49/03/58/352490358.db2.gz TYSLRFWKBDUIKQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]2CN)[C@@H]1C 575515804 352490362 /nfs/dbraw/zinc/49/03/62/352490362.db2.gz TYSLRFWKBDUIKQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]2C[NH3+])[C@@H]1C 575515804 352490366 /nfs/dbraw/zinc/49/03/66/352490366.db2.gz TYSLRFWKBDUIKQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]2C[NH3+])[C@@H]1C 575515804 352490370 /nfs/dbraw/zinc/49/03/70/352490370.db2.gz TYSLRFWKBDUIKQ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH+]1CCC(F)CC1 575515706 352490444 /nfs/dbraw/zinc/49/04/44/352490444.db2.gz STQJXPASDXENIL-HTQZYQBOSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[NH+]1CCC(F)CC1 575515709 352490511 /nfs/dbraw/zinc/49/05/11/352490511.db2.gz STQJXPASDXENIL-YUMQZZPRSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@@H]2CN)C[C@H]1C 575515806 352490684 /nfs/dbraw/zinc/49/06/84/352490684.db2.gz TYSLRFWKBDUIKQ-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@@H]2CN)C[C@H]1C 575515806 352490686 /nfs/dbraw/zinc/49/06/86/352490686.db2.gz TYSLRFWKBDUIKQ-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])C[C@H]1C 575515806 352490689 /nfs/dbraw/zinc/49/06/89/352490689.db2.gz TYSLRFWKBDUIKQ-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@@H]2C[NH3+])C[C@H]1C 575515806 352490691 /nfs/dbraw/zinc/49/06/91/352490691.db2.gz TYSLRFWKBDUIKQ-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[NH+]1CCC(F)CC1 575515708 352490733 /nfs/dbraw/zinc/49/07/33/352490733.db2.gz STQJXPASDXENIL-SFYZADRCSA-N 2 1 174.263 1.156 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515861 352491150 /nfs/dbraw/zinc/49/11/50/352491150.db2.gz UPNLLCVAQDFXFJ-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515861 352491153 /nfs/dbraw/zinc/49/11/53/352491153.db2.gz UPNLLCVAQDFXFJ-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@H]1C[NH3+] 575515843 352491216 /nfs/dbraw/zinc/49/12/16/352491216.db2.gz UMYQUCZTFPASOG-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515859 352491408 /nfs/dbraw/zinc/49/14/08/352491408.db2.gz UPNLLCVAQDFXFJ-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1[C@H]2CCCC[C@H]21 575515859 352491412 /nfs/dbraw/zinc/49/14/12/352491412.db2.gz UPNLLCVAQDFXFJ-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP CCC(C)(C)[N@@H+]1CC[C@@H]1C[NH3+] 575515842 352491440 /nfs/dbraw/zinc/49/14/40/352491440.db2.gz UMYQUCZTFPASOG-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC(C)(C)[N@H+]1CC[C@@H]1C[NH3+] 575515842 352491442 /nfs/dbraw/zinc/49/14/42/352491442.db2.gz UMYQUCZTFPASOG-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1(C)CC[C@@H]([N@@H+]2CC[C@H]2C[NH3+])C1 575515921 352491452 /nfs/dbraw/zinc/49/14/52/352491452.db2.gz VNZJATRPYIVTFS-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@@H]([N@H+]2CC[C@H]2C[NH3+])C1 575515921 352491453 /nfs/dbraw/zinc/49/14/53/352491453.db2.gz VNZJATRPYIVTFS-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])C1 575515914 352491484 /nfs/dbraw/zinc/49/14/84/352491484.db2.gz VNZJATRPYIVTFS-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@@H]([N@H+]2CC[C@@H]2C[NH3+])C1 575515914 352491487 /nfs/dbraw/zinc/49/14/87/352491487.db2.gz VNZJATRPYIVTFS-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@H]([N@@H+]2CC[C@@H]2C[NH3+])C1 575515919 352491516 /nfs/dbraw/zinc/49/15/16/352491516.db2.gz VNZJATRPYIVTFS-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@H]([N@H+]2CC[C@@H]2C[NH3+])C1 575515919 352491517 /nfs/dbraw/zinc/49/15/17/352491517.db2.gz VNZJATRPYIVTFS-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@H]([N@@H+]2CC[C@H]2C[NH3+])C1 575515917 352491549 /nfs/dbraw/zinc/49/15/49/352491549.db2.gz VNZJATRPYIVTFS-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[C@H]([N@H+]2CC[C@H]2C[NH3+])C1 575515917 352491551 /nfs/dbraw/zinc/49/15/51/352491551.db2.gz VNZJATRPYIVTFS-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])CC[C@H]1C 575516207 352492573 /nfs/dbraw/zinc/49/25/73/352492573.db2.gz YTQAAJWWJDZFPG-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@@H]2C[NH3+])CC[C@H]1C 575516207 352492578 /nfs/dbraw/zinc/49/25/78/352492578.db2.gz YTQAAJWWJDZFPG-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]2C[NH3+])[C@@H]1C 575516205 352492841 /nfs/dbraw/zinc/49/28/41/352492841.db2.gz YTQAAJWWJDZFPG-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2C[NH3+])[C@@H]1C 575516205 352492842 /nfs/dbraw/zinc/49/28/42/352492842.db2.gz YTQAAJWWJDZFPG-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@]12CCCC[C@H]1C2 575516168 352492858 /nfs/dbraw/zinc/49/28/58/352492858.db2.gz YIWKGVLBYDHXJQ-DCAQKATOSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@]12CCCC[C@H]1C2 575516168 352492859 /nfs/dbraw/zinc/49/28/59/352492859.db2.gz YIWKGVLBYDHXJQ-DCAQKATOSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2CC[C@H]2C[NH3+])CC[C@H]1C 575516206 352492899 /nfs/dbraw/zinc/49/28/99/352492899.db2.gz YTQAAJWWJDZFPG-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2CC[C@H]2C[NH3+])CC[C@H]1C 575516206 352492900 /nfs/dbraw/zinc/49/29/00/352492900.db2.gz YTQAAJWWJDZFPG-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@]12CCCC[C@@H]1C2 575516172 352492935 /nfs/dbraw/zinc/49/29/35/352492935.db2.gz YIWKGVLBYDHXJQ-OUAUKWLOSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@]12CCCC[C@@H]1C2 575516172 352492936 /nfs/dbraw/zinc/49/29/36/352492936.db2.gz YIWKGVLBYDHXJQ-OUAUKWLOSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2CCCC3(CC3)C2)CC1 575516662 352493316 /nfs/dbraw/zinc/49/33/16/352493316.db2.gz BBDHNPPVVMNYLV-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2CN)[C@@H]1C 575516290 352493393 /nfs/dbraw/zinc/49/33/93/352493393.db2.gz YTQAAJWWJDZFPG-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2C[NH3+])[C@@H]1C 575516290 352493397 /nfs/dbraw/zinc/49/33/97/352493397.db2.gz YTQAAJWWJDZFPG-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1[NH+]1CCC(F)CC1 575516262 352493433 /nfs/dbraw/zinc/49/34/33/352493433.db2.gz YZDGYCLNOSKDLG-UWVGGRQHSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CCC(F)CC1 575516264 352493458 /nfs/dbraw/zinc/49/34/58/352493458.db2.gz YZDGYCLNOSKDLG-ZJUUUORDSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[NH+]1CCC(F)CC1 575516263 352493544 /nfs/dbraw/zinc/49/35/44/352493544.db2.gz YZDGYCLNOSKDLG-VHSXEESVSA-N 2 1 186.274 1.300 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[NH+]1CCC(F)CC1 575516261 352493654 /nfs/dbraw/zinc/49/36/54/352493654.db2.gz YZDGYCLNOSKDLG-NXEZZACHSA-N 2 1 186.274 1.300 10 0 ADAEMP F[C@H]1CC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1 575516816 352493897 /nfs/dbraw/zinc/49/38/97/352493897.db2.gz CPCFUWMXSHLSSH-VHSXEESVSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 575516816 352493902 /nfs/dbraw/zinc/49/39/02/352493902.db2.gz CPCFUWMXSHLSSH-VHSXEESVSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@H]1CC[N@@H+]([C@H]2CCC[NH2+]CC2)C1 575516815 352493945 /nfs/dbraw/zinc/49/39/45/352493945.db2.gz CPCFUWMXSHLSSH-UWVGGRQHSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 575516815 352493949 /nfs/dbraw/zinc/49/39/49/352493949.db2.gz CPCFUWMXSHLSSH-UWVGGRQHSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@@H]1CC[N@@H+]([C@H]2CCC[NH2+]CC2)C1 575516817 352493968 /nfs/dbraw/zinc/49/39/68/352493968.db2.gz CPCFUWMXSHLSSH-ZJUUUORDSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@@H]1CC[N@H+]([C@H]2CCC[NH2+]CC2)C1 575516817 352493972 /nfs/dbraw/zinc/49/39/72/352493972.db2.gz CPCFUWMXSHLSSH-ZJUUUORDSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@@H]1CC[N@@H+]([C@@H]2CCC[NH2+]CC2)C1 575516814 352494021 /nfs/dbraw/zinc/49/40/21/352494021.db2.gz CPCFUWMXSHLSSH-NXEZZACHSA-N 2 1 186.274 1.172 10 0 ADAEMP F[C@@H]1CC[N@H+]([C@@H]2CCC[NH2+]CC2)C1 575516814 352494025 /nfs/dbraw/zinc/49/40/25/352494025.db2.gz CPCFUWMXSHLSSH-NXEZZACHSA-N 2 1 186.274 1.172 10 0 ADAEMP CC1(C)[C@@H]([N@@H+]2CC[C@H](F)C2)C[C@H]1[NH3+] 575516787 352494045 /nfs/dbraw/zinc/49/40/45/352494045.db2.gz BVOSMHCJADXJEF-YIZRAAEISA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@@H]([N@H+]2CC[C@H](F)C2)C[C@H]1[NH3+] 575516787 352494048 /nfs/dbraw/zinc/49/40/48/352494048.db2.gz BVOSMHCJADXJEF-YIZRAAEISA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@H]([NH3+])C[C@H]1[N@@H+]1CC[C@@H](F)C1 575516786 352494228 /nfs/dbraw/zinc/49/42/28/352494228.db2.gz BVOSMHCJADXJEF-IWSPIJDZSA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@H]([NH3+])C[C@H]1[N@H+]1CC[C@@H](F)C1 575516786 352494230 /nfs/dbraw/zinc/49/42/30/352494230.db2.gz BVOSMHCJADXJEF-IWSPIJDZSA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@H]([NH3+])C[C@H]1[N@@H+]1CC[C@H](F)C1 575516784 352494330 /nfs/dbraw/zinc/49/43/30/352494330.db2.gz BVOSMHCJADXJEF-DJLDLDEBSA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@H]([NH3+])C[C@H]1[N@H+]1CC[C@H](F)C1 575516784 352494332 /nfs/dbraw/zinc/49/43/32/352494332.db2.gz BVOSMHCJADXJEF-DJLDLDEBSA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@@H]([N@@H+]2CC[C@@H](F)C2)C[C@H]1[NH3+] 575516785 352494369 /nfs/dbraw/zinc/49/43/69/352494369.db2.gz BVOSMHCJADXJEF-HLTSFMKQSA-N 2 1 186.274 1.156 10 0 ADAEMP CC1(C)[C@@H]([N@H+]2CC[C@@H](F)C2)C[C@H]1[NH3+] 575516785 352494372 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QKTLOCIUHPHWGS-BDAKNGLRSA-N 2 1 186.324 1.039 10 0 ADAEMP C[C@@]1([C@H]2CCC[NH2+]C2)[NH2+]CCS1 575518195 352500723 /nfs/dbraw/zinc/50/07/23/352500723.db2.gz QKTLOCIUHPHWGS-DTWKUNHWSA-N 2 1 186.324 1.039 10 0 ADAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](F)C1 575518300 352501344 /nfs/dbraw/zinc/50/13/44/352501344.db2.gz TYQDZUJFBJMCMS-UTLUCORTSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](F)C1 575518300 352501345 /nfs/dbraw/zinc/50/13/45/352501345.db2.gz TYQDZUJFBJMCMS-UTLUCORTSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](F)C1 575518299 352501394 /nfs/dbraw/zinc/50/13/94/352501394.db2.gz TYQDZUJFBJMCMS-OPRDCNLKSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](F)C1 575518299 352501396 /nfs/dbraw/zinc/50/13/96/352501396.db2.gz TYQDZUJFBJMCMS-OPRDCNLKSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](F)C1 575518298 352501617 /nfs/dbraw/zinc/50/16/17/352501617.db2.gz TYQDZUJFBJMCMS-KXUCPTDWSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](F)C1 575518298 352501621 /nfs/dbraw/zinc/50/16/21/352501621.db2.gz TYQDZUJFBJMCMS-KXUCPTDWSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](F)C1 575518297 352501695 /nfs/dbraw/zinc/50/16/95/352501695.db2.gz TYQDZUJFBJMCMS-BBBLOLIVSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H](F)C1 575518297 352501697 /nfs/dbraw/zinc/50/16/97/352501697.db2.gz TYQDZUJFBJMCMS-BBBLOLIVSA-N 2 1 186.274 1.028 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H](C[N@H+]2CC[C@H](F)C2)C1 575518374 352502143 /nfs/dbraw/zinc/50/21/43/352502143.db2.gz USKLXICGSYVCMN-KXUCPTDWSA-N 2 1 186.274 1.158 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@@H+]1CC[C@@H](F)C1 575518408 352502210 /nfs/dbraw/zinc/50/22/10/352502210.db2.gz VEXUECXFTHAULM-OPRDCNLKSA-N 2 1 186.274 1.028 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1CC[C@@H](F)C1 575518408 352502211 /nfs/dbraw/zinc/50/22/11/352502211.db2.gz 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/nfs/dbraw/zinc/53/21/13/352532113.db2.gz WPROOJOLYAOGHL-QMMMGPOBSA-N 2 1 183.299 1.303 10 0 ADAEMP CCC[N@H+]1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575524798 352532266 /nfs/dbraw/zinc/53/22/66/352532266.db2.gz FTLRKQXYVIHHNY-MYJAWHEDSA-N 2 1 170.300 1.312 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2C[C@H]3CC[C@H]3C2)C1 575524890 352532285 /nfs/dbraw/zinc/53/22/85/352532285.db2.gz GRRUPIGRUDYSOI-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@@H]([NH3+])c2ccsc2)C1 575524879 352532310 /nfs/dbraw/zinc/53/23/10/352532310.db2.gz WCMXWZLECFOFRP-PSASIEDQSA-N 2 1 196.319 1.700 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C2CC3(CCC3)C2)C1 575525150 352533402 /nfs/dbraw/zinc/53/34/02/352533402.db2.gz BHFFDQXILAHHED-SECBINFHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C2CC3(CCC3)C2)C1 575525150 352533404 /nfs/dbraw/zinc/53/34/04/352533404.db2.gz BHFFDQXILAHHED-SECBINFHSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+]1C[C@H]2CC[C@H]2C1 575525276 352533434 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/nfs/dbraw/zinc/53/48/16/352534816.db2.gz IMIAWAVEZGYZQE-LMLFDSFASA-N 2 1 180.295 1.208 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575525343 352534906 /nfs/dbraw/zinc/53/49/06/352534906.db2.gz IMSCLWWUHGGNAJ-MYJAWHEDSA-N 2 1 170.300 1.310 10 0 ADAEMP CC[N@H+]1C[C@H](C)[C@@H]([NH2+]C)[C@H](C)C1 575525528 352535290 /nfs/dbraw/zinc/53/52/90/352535290.db2.gz KIWFWFAJIQVYJI-MYJAWHEDSA-N 2 1 170.300 1.182 10 0 ADAEMP [NH3+][C@H]1CC[N@@H+](C2(C3CCC3)CC2)C1 575525666 352536217 /nfs/dbraw/zinc/53/62/17/352536217.db2.gz ITCDGIVTWRFBGX-JTQLQIEISA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@H]1CC[N@H+](C2(C3CCC3)CC2)C1 575525666 352536219 /nfs/dbraw/zinc/53/62/19/352536219.db2.gz ITCDGIVTWRFBGX-JTQLQIEISA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@@H+](C2(C3CCC3)CC2)C1 575525668 352536386 /nfs/dbraw/zinc/53/63/86/352536386.db2.gz ITCDGIVTWRFBGX-SNVBAGLBSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@H]1CC[N@H+](C2(C3CCC3)CC2)C1 575525668 352536390 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/nfs/dbraw/zinc/53/89/76/352538976.db2.gz POSOOMOEUHULOM-LMLFDSFASA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1C[C@H]2CC[C@H]2C1 575526278 352539324 /nfs/dbraw/zinc/53/93/24/352539324.db2.gz SCKDWHBMIBNTDL-MMWGEVLESA-N 2 1 180.295 1.066 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575526338 352539410 /nfs/dbraw/zinc/53/94/10/352539410.db2.gz TVLQHJFYHPRHMG-URLYPYJESA-N 2 1 184.327 1.558 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1C[C@H]2CC[C@H]2C1 575526280 352539666 /nfs/dbraw/zinc/53/96/66/352539666.db2.gz SCKDWHBMIBNTDL-UKKRHICBSA-N 2 1 180.295 1.066 10 0 ADAEMP CC(C)(C[NH3+])[N@@H+]1C[C@H]2CC[C@H]2C1 575526261 352539699 /nfs/dbraw/zinc/53/96/99/352539699.db2.gz ROPZNFZEWJYHHJ-DTORHVGOSA-N 2 1 168.284 1.066 10 0 ADAEMP C/C=C/C[N@H+]1C[C@H](C)[C@@H]([NH3+])[C@H](C)C1 575526609 352540452 /nfs/dbraw/zinc/54/04/52/352540452.db2.gz WNKPKDQQSCXEJG-YJVBGPIDSA-N 2 1 182.311 1.478 10 0 ADAEMP C[NH2+][C@@H]1[C@@H](C)C[N@H+](C(C)C)C[C@H]1C 575526666 352541057 /nfs/dbraw/zinc/54/10/57/352541057.db2.gz XSYYKBLKOVRVHE-URLYPYJESA-N 2 1 184.327 1.571 10 0 ADAEMP [NH3+]CC1([N@@H+]2C[C@H]3CC[C@H]3C2)CCC1 575526830 352541395 /nfs/dbraw/zinc/54/13/95/352541395.db2.gz ZMLXDXSZIUXREP-AOOOYVTPSA-N 2 1 180.295 1.210 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC12CCCCC2 575527266 352542932 /nfs/dbraw/zinc/54/29/32/352542932.db2.gz GCTUSBQZOCOENN-LLVKDONJSA-N 2 1 182.311 1.648 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC12CCCCC2 575527267 352542994 /nfs/dbraw/zinc/54/29/94/352542994.db2.gz GCTUSBQZOCOENN-NSHDSACASA-N 2 1 182.311 1.648 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC12CCCC2 575527812 352545188 /nfs/dbraw/zinc/54/51/88/352545188.db2.gz LVFHLTMZEILFKH-JTQLQIEISA-N 2 1 168.284 1.258 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC12CCCC2 575527813 352545219 /nfs/dbraw/zinc/54/52/19/352545219.db2.gz LVFHLTMZEILFKH-SNVBAGLBSA-N 2 1 168.284 1.258 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@]12C[NH2+]C[C@H]1C2 575528536 352548212 /nfs/dbraw/zinc/54/82/12/352548212.db2.gz KOLSZOBOKXDDOR-MXWKQRLJSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@@]12C[NH2+]C[C@@H]1C2 575528537 352548348 /nfs/dbraw/zinc/54/83/48/352548348.db2.gz KOLSZOBOKXDDOR-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP CCC(=[NH2+])N[C@@H]1C[N@@H+](C)C(C)(C)C1 575531754 352562495 /nfs/dbraw/zinc/56/24/95/352562495.db2.gz OXXXFQYNHZGWBP-QMMMGPOBSA-N 2 1 183.299 1.446 10 0 ADAEMP CCC(=[NH2+])N[C@H]1C[N@@H+](C)C(C)(C)C1 575531752 352562504 /nfs/dbraw/zinc/56/25/04/352562504.db2.gz OXXXFQYNHZGWBP-MRVPVSSYSA-N 2 1 183.299 1.446 10 0 ADAEMP CC(=[NH2+])N[C@@H]1C[N@H+](C)C(C)(C)C1 575532251 352565176 /nfs/dbraw/zinc/56/51/76/352565176.db2.gz VEKJRDGPMWXIDN-QMMMGPOBSA-N 2 1 169.272 1.056 10 0 ADAEMP CC(=[NH2+])N[C@H]1C[N@H+](C)C(C)(C)C1 575532250 352565247 /nfs/dbraw/zinc/56/52/47/352565247.db2.gz VEKJRDGPMWXIDN-MRVPVSSYSA-N 2 1 169.272 1.056 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCC[C@@H]([NH3+])C1 575532765 352567363 /nfs/dbraw/zinc/56/73/63/352567363.db2.gz BGNSTHMFARNZPC-DTWKUNHWSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCC[C@H]([NH3+])C1 575532764 352567433 /nfs/dbraw/zinc/56/74/33/352567433.db2.gz BGNSTHMFARNZPC-BDAKNGLRSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCC[C@H]1C[NH3+] 575532727 352567440 /nfs/dbraw/zinc/56/74/40/352567440.db2.gz AGJZKUKBOOBXAM-DTWKUNHWSA-N 2 1 179.267 1.263 10 0 ADAEMP C[C@@H]1C[C@@H](c2c[nH+]cn2C)CC[NH2+]1 575532742 352567492 /nfs/dbraw/zinc/56/74/92/352567492.db2.gz AQAVCNMVOQWAPR-BDAKNGLRSA-N 2 1 179.267 1.276 10 0 ADAEMP C[C@H]1C[C@H](c2c[nH+]cn2C)CC[NH2+]1 575532743 352567502 /nfs/dbraw/zinc/56/75/02/352567502.db2.gz AQAVCNMVOQWAPR-DTWKUNHWSA-N 2 1 179.267 1.276 10 0 ADAEMP C[C@H]1C[C@@H](c2c[nH+]cn2C)CC[NH2+]1 575532744 352567506 /nfs/dbraw/zinc/56/75/06/352567506.db2.gz AQAVCNMVOQWAPR-IUCAKERBSA-N 2 1 179.267 1.276 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCC[C@H]1C[NH3+] 575532728 352567510 /nfs/dbraw/zinc/56/75/10/352567510.db2.gz AGJZKUKBOOBXAM-IUCAKERBSA-N 2 1 179.267 1.263 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCC[C@@H]1C[NH3+] 575532725 352567516 /nfs/dbraw/zinc/56/75/16/352567516.db2.gz AGJZKUKBOOBXAM-BDAKNGLRSA-N 2 1 179.267 1.263 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCC[C@@H]([NH3+])C1 575532767 352567520 /nfs/dbraw/zinc/56/75/20/352567520.db2.gz BGNSTHMFARNZPC-RKDXNWHRSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCC[C@H]([NH3+])C1 575532766 352567524 /nfs/dbraw/zinc/56/75/24/352567524.db2.gz BGNSTHMFARNZPC-IUCAKERBSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCC[C@@H]1C[NH3+] 575532729 352567533 /nfs/dbraw/zinc/56/75/33/352567533.db2.gz AGJZKUKBOOBXAM-RKDXNWHRSA-N 2 1 179.267 1.263 10 0 ADAEMP C[C@@H]1C[C@H](c2c[nH+]cn2C)CC[NH2+]1 575532745 352567581 /nfs/dbraw/zinc/56/75/81/352567581.db2.gz AQAVCNMVOQWAPR-RKDXNWHRSA-N 2 1 179.267 1.276 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H](c2c[nH+]cn2C)C1 575532782 352568060 /nfs/dbraw/zinc/56/80/60/352568060.db2.gz BPSVQXHBKMJMTN-DTWKUNHWSA-N 2 1 179.267 1.276 10 0 ADAEMP C[NH2+][C@H]1CC[C@@H](c2c[nH+]cn2C)C1 575532781 352568188 /nfs/dbraw/zinc/56/81/88/352568188.db2.gz BPSVQXHBKMJMTN-BDAKNGLRSA-N 2 1 179.267 1.276 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](c2c[nH+]cn2C)C1 575532783 352568323 /nfs/dbraw/zinc/56/83/23/352568323.db2.gz BPSVQXHBKMJMTN-IUCAKERBSA-N 2 1 179.267 1.276 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](c2c[nH+]cn2C)C1 575532784 352568335 /nfs/dbraw/zinc/56/83/35/352568335.db2.gz BPSVQXHBKMJMTN-RKDXNWHRSA-N 2 1 179.267 1.276 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CC[C@H]([NH3+])C1 575533181 352569742 /nfs/dbraw/zinc/56/97/42/352569742.db2.gz GNEMKVKUSVBYBI-SFYZADRCSA-N 2 1 165.240 1.015 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CC[C@@H]([NH3+])C1 575533180 352569756 /nfs/dbraw/zinc/56/97/56/352569756.db2.gz GNEMKVKUSVBYBI-JGVFFNPUSA-N 2 1 165.240 1.015 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CC[C@H]([NH3+])C1 575533182 352569846 /nfs/dbraw/zinc/56/98/46/352569846.db2.gz GNEMKVKUSVBYBI-YUMQZZPRSA-N 2 1 165.240 1.015 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CC[C@@H]([NH3+])C1 575533179 352569870 /nfs/dbraw/zinc/56/98/70/352569870.db2.gz GNEMKVKUSVBYBI-HTQZYQBOSA-N 2 1 165.240 1.015 10 0 ADAEMP Cn1c[nH+]cc1[C@@]1(C)CC[C@@H]([NH3+])C1 575533945 352572788 /nfs/dbraw/zinc/57/27/88/352572788.db2.gz LILBYRFQYYBOST-SCZZXKLOSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1c[nH+]cc1[C@]1(C)CC[C@@H]([NH3+])C1 575533943 352572850 /nfs/dbraw/zinc/57/28/50/352572850.db2.gz LILBYRFQYYBOST-PSASIEDQSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1c[nH+]cc1[C@@]1(C)CC[C@H]([NH3+])C1 575533951 352572996 /nfs/dbraw/zinc/57/29/96/352572996.db2.gz LILBYRFQYYBOST-WPRPVWTQSA-N 2 1 179.267 1.189 10 0 ADAEMP Cn1c[nH+]cc1[C@]1(C)CC[C@H]([NH3+])C1 575533949 352573189 /nfs/dbraw/zinc/57/31/89/352573189.db2.gz LILBYRFQYYBOST-WCBMZHEXSA-N 2 1 179.267 1.189 10 0 ADAEMP C[C@@H]1CC[C@@](C[NH3+])([NH+](C)C)CS1 575534140 352573439 /nfs/dbraw/zinc/57/34/39/352573439.db2.gz HNYQMILMGIBEKB-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CC[C@@](C[NH3+])([NH+](C)C)CS1 575534149 352573571 /nfs/dbraw/zinc/57/35/71/352573571.db2.gz HNYQMILMGIBEKB-IUCAKERBSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1CC[C@](C[NH3+])([NH+](C)C)CS1 575534146 352573581 /nfs/dbraw/zinc/57/35/81/352573581.db2.gz HNYQMILMGIBEKB-DTWKUNHWSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@@H]1CC[C@](C[NH3+])([NH+](C)C)CS1 575534152 352574148 /nfs/dbraw/zinc/57/41/48/352574148.db2.gz HNYQMILMGIBEKB-RKDXNWHRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[C@H]1[C@@H](c2c[nH+]cn2C)CC[C@H]1[NH3+] 575534859 352576567 /nfs/dbraw/zinc/57/65/67/352576567.db2.gz RIGPFDDEGLJWJR-XHNCKOQMSA-N 2 1 179.267 1.261 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCCC[C@H]1[NH3+] 575534862 352576472 /nfs/dbraw/zinc/57/64/72/352576472.db2.gz RKTYCENVSCNKPV-DTWKUNHWSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCCC[C@@H]1[NH3+] 575534863 352576546 /nfs/dbraw/zinc/57/65/46/352576546.db2.gz RKTYCENVSCNKPV-IUCAKERBSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCCC[C@H]1[NH3+] 575534866 352576651 /nfs/dbraw/zinc/57/66/51/352576651.db2.gz RKTYCENVSCNKPV-RKDXNWHRSA-N 2 1 179.267 1.405 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[C@@H]1c1c[nH+]cn1C 575534857 352576680 /nfs/dbraw/zinc/57/66/80/352576680.db2.gz RIGPFDDEGLJWJR-CIUDSAMLSA-N 2 1 179.267 1.261 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[C@H]1c1c[nH+]cn1C 575534858 352576687 /nfs/dbraw/zinc/57/66/87/352576687.db2.gz RIGPFDDEGLJWJR-DJLDLDEBSA-N 2 1 179.267 1.261 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[C@H]1c1c[nH+]cn1C 575534860 352576705 /nfs/dbraw/zinc/57/67/05/352576705.db2.gz RIGPFDDEGLJWJR-YIZRAAEISA-N 2 1 179.267 1.261 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCCC[C@@H]1[NH3+] 575534861 352576719 /nfs/dbraw/zinc/57/67/19/352576719.db2.gz RKTYCENVSCNKPV-BDAKNGLRSA-N 2 1 179.267 1.405 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCC[C@H]1[NH3+] 575534934 352577237 /nfs/dbraw/zinc/57/72/37/352577237.db2.gz UPXNLWZAMHCCCT-JGVFFNPUSA-N 2 1 165.240 1.015 10 0 ADAEMP Cn1c[nH+]cc1[C@H]1CCC[C@@H]1[NH3+] 575534936 352577280 /nfs/dbraw/zinc/57/72/80/352577280.db2.gz UPXNLWZAMHCCCT-YUMQZZPRSA-N 2 1 165.240 1.015 10 0 ADAEMP Cn1c[nH+]cc1[C@@H]1CCC[C@H]1[NH3+] 575534933 352577316 /nfs/dbraw/zinc/57/73/16/352577316.db2.gz UPXNLWZAMHCCCT-HTQZYQBOSA-N 2 1 165.240 1.015 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@](C)(C[NH3+])C1 575536982 352587645 /nfs/dbraw/zinc/58/76/45/352587645.db2.gz BRFNJSKCSFTHRO-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[N@H+]1CCC[C@](C)(C[NH3+])C1 575536985 352587781 /nfs/dbraw/zinc/58/77/81/352587781.db2.gz BRFNJSKCSFTHRO-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@H]3CCC[C@H]32)CCC1 575537236 352588691 /nfs/dbraw/zinc/58/86/91/352588691.db2.gz CWRWJUHWPCVGFT-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575537217 352588762 /nfs/dbraw/zinc/58/87/62/352588762.db2.gz CMEPGKBBBBGQIS-RCWTZXSCSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@@H]3CCC[C@H]32)CCC1 575537238 352588856 /nfs/dbraw/zinc/58/88/56/352588856.db2.gz CWRWJUHWPCVGFT-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@H]3CCC[C@@H]32)CCC1 575537239 352588879 /nfs/dbraw/zinc/58/88/79/352588879.db2.gz CWRWJUHWPCVGFT-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@@H]3CCC[C@@H]32)CCC1 575537237 352588918 /nfs/dbraw/zinc/58/89/18/352588918.db2.gz CWRWJUHWPCVGFT-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575537219 352588972 /nfs/dbraw/zinc/58/89/72/352588972.db2.gz CMEPGKBBBBGQIS-XWLWVQCSSA-N 2 1 180.295 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@H+]2CC[C@@H]3C[C@@H]32)C1 575537267 352589513 /nfs/dbraw/zinc/58/95/13/352589513.db2.gz DMBSUBKHXBPXOW-WIFZPCQCSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[N@@H+]1CC[C@H]2C[C@H]21 575537485 352590129 /nfs/dbraw/zinc/59/01/29/352590129.db2.gz FVJZGXVLDFHINQ-LMLFDSFASA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[N@H+]1CC[C@H]2C[C@H]21 575537485 352590133 /nfs/dbraw/zinc/59/01/33/352590133.db2.gz FVJZGXVLDFHINQ-LMLFDSFASA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[C@]1(C[NH3+])[N@H+]1CC[C@@H]2C[C@@H]21 575537480 352590230 /nfs/dbraw/zinc/59/02/30/352590230.db2.gz FVJZGXVLDFHINQ-CHWFTXMASA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC12CCCCC2 575537791 352591696 /nfs/dbraw/zinc/59/16/96/352591696.db2.gz ITYWVRDIBSTTIC-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC12CCCCC2 575537789 352591745 /nfs/dbraw/zinc/59/17/45/352591745.db2.gz ITYWVRDIBSTTIC-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575538269 352594113 /nfs/dbraw/zinc/59/41/13/352594113.db2.gz LZZDPTXHMQDNNK-ZRUFSTJUSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575538279 352594123 /nfs/dbraw/zinc/59/41/23/352594123.db2.gz MBFDLQMHQRZFEZ-ZNSHCXBVSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575538281 352594405 /nfs/dbraw/zinc/59/44/05/352594405.db2.gz MBFDLQMHQRZFEZ-ZRUFSTJUSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575538268 352594457 /nfs/dbraw/zinc/59/44/57/352594457.db2.gz LZZDPTXHMQDNNK-ZNSHCXBVSA-N 2 1 180.295 1.351 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575538433 352594692 /nfs/dbraw/zinc/59/46/92/352594692.db2.gz MKENEVHMMCECME-ZRUFSTJUSA-N 2 1 180.295 1.221 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575538431 352594987 /nfs/dbraw/zinc/59/49/87/352594987.db2.gz MKENEVHMMCECME-ZNSHCXBVSA-N 2 1 180.295 1.221 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575538797 352596051 /nfs/dbraw/zinc/59/60/51/352596051.db2.gz QDJJZHXNFHKRKY-ZRUFSTJUSA-N 2 1 180.295 1.221 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575538796 352596096 /nfs/dbraw/zinc/59/60/96/352596096.db2.gz QDJJZHXNFHKRKY-ZNSHCXBVSA-N 2 1 180.295 1.221 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]21 575538957 352596754 /nfs/dbraw/zinc/59/67/54/352596754.db2.gz ROMRXVYDKIYXAS-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]21 575538957 352596757 /nfs/dbraw/zinc/59/67/57/352596757.db2.gz ROMRXVYDKIYXAS-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1C[C@H]2CCC[C@@H]21 575538956 352596929 /nfs/dbraw/zinc/59/69/29/352596929.db2.gz ROMRXVYDKIYXAS-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1C[C@H]2CCC[C@@H]21 575538956 352596933 /nfs/dbraw/zinc/59/69/33/352596933.db2.gz ROMRXVYDKIYXAS-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1C[C@H]2CCC[C@H]21 575538960 352597037 /nfs/dbraw/zinc/59/70/37/352597037.db2.gz ROMRXVYDKIYXAS-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1C[C@H]2CCC[C@H]21 575538960 352597041 /nfs/dbraw/zinc/59/70/41/352597041.db2.gz ROMRXVYDKIYXAS-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]21 575538959 352597091 /nfs/dbraw/zinc/59/70/91/352597091.db2.gz ROMRXVYDKIYXAS-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]21 575538959 352597092 /nfs/dbraw/zinc/59/70/92/352597092.db2.gz ROMRXVYDKIYXAS-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+]CC1([N@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575539715 352601482 /nfs/dbraw/zinc/60/14/82/352601482.db2.gz ZTRXUFMIPPECNZ-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]CC1([N@H+]2CC[C@H]3C[C@H]32)CCCC1 575539714 352601561 /nfs/dbraw/zinc/60/15/61/352601561.db2.gz ZTRXUFMIPPECNZ-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@]1(C[N@@H+]2CC[C@H]3C[C@H]32)CCC[NH2+]1 575540590 352604178 /nfs/dbraw/zinc/60/41/78/352604178.db2.gz BFPKIEYOIXASRB-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@]1(C[N@H+]2CC[C@H]3C[C@H]32)CCC[NH2+]1 575540590 352604179 /nfs/dbraw/zinc/60/41/79/352604179.db2.gz BFPKIEYOIXASRB-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@]1(C[N@@H+]2CC[C@@H]3C[C@@H]32)CCC[NH2+]1 575540592 352604365 /nfs/dbraw/zinc/60/43/65/352604365.db2.gz BFPKIEYOIXASRB-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@]1(C[N@H+]2CC[C@@H]3C[C@@H]32)CCC[NH2+]1 575540592 352604368 /nfs/dbraw/zinc/60/43/68/352604368.db2.gz BFPKIEYOIXASRB-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+]C[C@@H](C[N@H+]2CC[C@H]3C[C@H]32)C1 575540914 352605654 /nfs/dbraw/zinc/60/56/54/352605654.db2.gz BVUSRJGOVLBXLE-GARJFASQSA-N 2 1 180.295 1.080 10 0 ADAEMP C1C[NH2+]C[C@@H](C[N@H+]2CC[C@@H]3C[C@@H]32)C1 575540910 352605974 /nfs/dbraw/zinc/60/59/74/352605974.db2.gz BVUSRJGOVLBXLE-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CC[C@H]1C[NH3+] 575541098 352606281 /nfs/dbraw/zinc/60/62/81/352606281.db2.gz DWZXHQWRUYMSQX-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CC[C@@H]1C[NH3+] 575541097 352606325 /nfs/dbraw/zinc/60/63/25/352606325.db2.gz DWZXHQWRUYMSQX-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CC[C@H]([NH3+])CC1 575541145 352606473 /nfs/dbraw/zinc/60/64/73/352606473.db2.gz BANAAVBFGSTQDT-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1CC[C@H]([NH3+])CC1 575541144 352606517 /nfs/dbraw/zinc/60/65/17/352606517.db2.gz BANAAVBFGSTQDT-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575541135 352606547 /nfs/dbraw/zinc/60/65/47/352606547.db2.gz AYUUYLYBOQGDDZ-ZNSHCXBVSA-N 2 1 180.295 1.079 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CC[C@@H]1C[NH3+] 575541101 352606572 /nfs/dbraw/zinc/60/65/72/352606572.db2.gz DWZXHQWRUYMSQX-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575541134 352606611 /nfs/dbraw/zinc/60/66/11/352606611.db2.gz AYUUYLYBOQGDDZ-VPOLOUISSA-N 2 1 180.295 1.079 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CC[C@H]1C[NH3+] 575541100 352606643 /nfs/dbraw/zinc/60/66/43/352606643.db2.gz DWZXHQWRUYMSQX-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)[C@@H]([N@H+]2CC[C@@H]3C[C@@H]32)C[C@H]1[NH3+] 575541304 352606988 /nfs/dbraw/zinc/60/69/88/352606988.db2.gz FBQDFYSBULEEGN-RGOKHQFPSA-N 2 1 180.295 1.206 10 0 ADAEMP CC1(C)[C@@H]([N@H+]2CC[C@H]3C[C@H]32)C[C@H]1[NH3+] 575541298 352607120 /nfs/dbraw/zinc/60/71/20/352607120.db2.gz FBQDFYSBULEEGN-JLIMGVALSA-N 2 1 180.295 1.206 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575541309 352607199 /nfs/dbraw/zinc/60/71/99/352607199.db2.gz FCHZDVJQKCQTKJ-ZDCRXTMVSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575541308 352607217 /nfs/dbraw/zinc/60/72/17/352607217.db2.gz FCHZDVJQKCQTKJ-UKKRHICBSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H]2C[C@@H]21 575541427 352607753 /nfs/dbraw/zinc/60/77/53/352607753.db2.gz GVKQMBOTPRFKCH-DBIOUOCHSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H]2C[C@H]21 575541436 352607968 /nfs/dbraw/zinc/60/79/68/352607968.db2.gz GVKQMBOTPRFKCH-LMLFDSFASA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]([C@H](C)C[NH3+])[N@H+]1CC[C@H]1C 575541555 352607982 /nfs/dbraw/zinc/60/79/82/352607982.db2.gz HYIBYICFOIWNIO-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575541581 352608248 /nfs/dbraw/zinc/60/82/48/352608248.db2.gz IJSMPIULZYMNAP-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@H](C)[C@H](C)C[NH3+] 575541560 352608300 /nfs/dbraw/zinc/60/83/00/352608300.db2.gz HYIBYICFOIWNIO-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575541587 352608492 /nfs/dbraw/zinc/60/84/92/352608492.db2.gz IJSMPIULZYMNAP-LNFKQOIKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H](C[NH3+])[C@@H](C)[N@H+]1CC[C@H]1C 575541558 352608504 /nfs/dbraw/zinc/60/85/04/352608504.db2.gz HYIBYICFOIWNIO-IWSPIJDZSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@H](C)[C@H](C)C[NH3+] 575541557 352608620 /nfs/dbraw/zinc/60/86/20/352608620.db2.gz HYIBYICFOIWNIO-HRDYMLBCSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575542028 352609470 /nfs/dbraw/zinc/60/94/70/352609470.db2.gz MXQPUPMRQAKNQM-ZNSHCXBVSA-N 2 1 180.295 1.079 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575542026 352609624 /nfs/dbraw/zinc/60/96/24/352609624.db2.gz MXQPUPMRQAKNQM-YTWAJWBKSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)CC[NH2+]1 575542452 352610781 /nfs/dbraw/zinc/61/07/81/352610781.db2.gz UACUWAFHUUDHSO-DBIOUOCHSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[C@H]32)CC[NH2+]1 575542454 352610864 /nfs/dbraw/zinc/61/08/64/352610864.db2.gz UACUWAFHUUDHSO-LMLFDSFASA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C[NH2+]1 575542668 352611525 /nfs/dbraw/zinc/61/15/25/352611525.db2.gz YHXRQZXNRZOCML-VPOLOUISSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CC[C@H]2C[C@H]21 575542705 352611536 /nfs/dbraw/zinc/61/15/36/352611536.db2.gz YYAGLRKUGAHCAC-XWLWVQCSSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C[NH2+]1 575542669 352611550 /nfs/dbraw/zinc/61/15/50/352611550.db2.gz YHXRQZXNRZOCML-ZNSHCXBVSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CC[C@@H]2C[C@@H]21 575542704 352611594 /nfs/dbraw/zinc/61/15/94/352611594.db2.gz YYAGLRKUGAHCAC-VLEAKVRGSA-N 2 1 180.295 1.221 10 0 ADAEMP [NH3+]C1(C[N@H+]2CC[C@H]3C[C@H]32)CCCC1 575542805 352612137 /nfs/dbraw/zinc/61/21/37/352612137.db2.gz KQZFEUMMDBIMHB-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2CC[C@@H]3C[C@@H]32)CCCC1 575542806 352612204 /nfs/dbraw/zinc/61/22/04/352612204.db2.gz KQZFEUMMDBIMHB-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@@H]1CC[N@H+]1C1(C[NH3+])CCCCC1 575542786 352612262 /nfs/dbraw/zinc/61/22/62/352612262.db2.gz KQPQJEBLIRCBLF-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]1CC[N@H+]1C1(C[NH3+])CCCCC1 575542785 352612332 /nfs/dbraw/zinc/61/23/32/352612332.db2.gz KQPQJEBLIRCBLF-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@]1(C[N@H+]2CC[C@H]3C[C@H]32)CC[NH2+]C1 575543170 352613322 /nfs/dbraw/zinc/61/33/22/352613322.db2.gz OKQVRBPULHQVFW-AXFHLTTASA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@]1(C[N@H+]2CC[C@@H]3C[C@@H]32)CC[NH2+]C1 575543173 352613453 /nfs/dbraw/zinc/61/34/53/352613453.db2.gz OKQVRBPULHQVFW-VWYCJHECSA-N 2 1 180.295 1.080 10 0 ADAEMP CC1(C)CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 575543463 352614879 /nfs/dbraw/zinc/61/48/79/352614879.db2.gz PQLSYCKRERXQLD-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCCC[NH2+]C1 575543463 352614881 /nfs/dbraw/zinc/61/48/81/352614881.db2.gz PQLSYCKRERXQLD-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP Cc1c[nH+]cn1C1(C[NH3+])CCC1 575543411 352614926 /nfs/dbraw/zinc/61/49/26/352614926.db2.gz PGJNMLRTVXEMES-UHFFFAOYSA-N 2 1 165.240 1.029 10 0 ADAEMP CC1(C)CC[N@@H+]1[C@H]1CCCC[NH2+]C1 575543462 352615025 /nfs/dbraw/zinc/61/50/25/352615025.db2.gz PQLSYCKRERXQLD-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCCC[NH2+]C1 575543462 352615028 /nfs/dbraw/zinc/61/50/28/352615028.db2.gz PQLSYCKRERXQLD-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H]2CCCC[NH2+]C2)[C@@H]1C 575543573 352615277 /nfs/dbraw/zinc/61/52/77/352615277.db2.gz PYIQYTYLYNFUDN-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2CCCC[NH2+]C2)[C@@H]1C 575543573 352615279 /nfs/dbraw/zinc/61/52/79/352615279.db2.gz PYIQYTYLYNFUDN-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@H]1CCCC[NH2+]C1 575543575 352615391 /nfs/dbraw/zinc/61/53/91/352615391.db2.gz PYIQYTYLYNFUDN-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H]1CCCC[NH2+]C1 575543575 352615394 /nfs/dbraw/zinc/61/53/94/352615394.db2.gz PYIQYTYLYNFUDN-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)[C@@H]1C 575543572 352615428 /nfs/dbraw/zinc/61/54/28/352615428.db2.gz PYIQYTYLYNFUDN-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)[C@@H]1C 575543572 352615432 /nfs/dbraw/zinc/61/54/32/352615432.db2.gz PYIQYTYLYNFUDN-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCCC[NH2+]C1 575543574 352615577 /nfs/dbraw/zinc/61/55/77/352615577.db2.gz PYIQYTYLYNFUDN-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCCC[NH2+]C1 575543574 352615580 /nfs/dbraw/zinc/61/55/80/352615580.db2.gz PYIQYTYLYNFUDN-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[C@H]1[NH3+] 575543851 352615890 /nfs/dbraw/zinc/61/58/90/352615890.db2.gz BGSRGWJITKVKPV-RKDXNWHRSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[C@H]1[NH3+] 575543848 352616090 /nfs/dbraw/zinc/61/60/90/352616090.db2.gz BGSRGWJITKVKPV-BDAKNGLRSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[C@@H]1[NH3+] 575543849 352616135 /nfs/dbraw/zinc/61/61/35/352616135.db2.gz BGSRGWJITKVKPV-DTWKUNHWSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[C@@H]1[NH3+] 575543850 352616201 /nfs/dbraw/zinc/61/62/01/352616201.db2.gz BGSRGWJITKVKPV-IUCAKERBSA-N 2 1 168.284 1.351 10 0 ADAEMP [NH3+]C[C@]1([NH+]2CCC2)CCCC12CC2 575544083 352616585 /nfs/dbraw/zinc/61/65/85/352616585.db2.gz UCJKGQRRGUJGON-LLVKDONJSA-N 2 1 180.295 1.354 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CC[C@@H]2C[C@@H]21 575544043 352616668 /nfs/dbraw/zinc/61/66/68/352616668.db2.gz SZKOUGMBBSGXIC-DBIOUOCHSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575544043 352616670 /nfs/dbraw/zinc/61/66/70/352616670.db2.gz SZKOUGMBBSGXIC-DBIOUOCHSA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CC[C@H]2C[C@H]21 575544046 352616801 /nfs/dbraw/zinc/61/68/01/352616801.db2.gz SZKOUGMBBSGXIC-LMLFDSFASA-N 2 1 180.295 1.079 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575544046 352616804 /nfs/dbraw/zinc/61/68/04/352616804.db2.gz SZKOUGMBBSGXIC-LMLFDSFASA-N 2 1 180.295 1.079 10 0 ADAEMP [NH3+]C[C@@]1([NH+]2CCC2)CCCC12CC2 575544086 352616836 /nfs/dbraw/zinc/61/68/36/352616836.db2.gz UCJKGQRRGUJGON-NSHDSACASA-N 2 1 180.295 1.354 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@]2(C)C[C@@H]2C)C1 575544279 352617309 /nfs/dbraw/zinc/61/73/09/352617309.db2.gz DMGBUHAYHSUKHA-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+]([C@]2(C)C[C@@H]2C)C1 575544279 352617313 /nfs/dbraw/zinc/61/73/13/352617313.db2.gz DMGBUHAYHSUKHA-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@]2(C)C[C@H]2C)C1 575544277 352617437 /nfs/dbraw/zinc/61/74/37/352617437.db2.gz DMGBUHAYHSUKHA-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+]([C@]2(C)C[C@H]2C)C1 575544277 352617441 /nfs/dbraw/zinc/61/74/41/352617441.db2.gz DMGBUHAYHSUKHA-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@@]2(C)C[C@H]2C)C1 575544280 352617629 /nfs/dbraw/zinc/61/76/29/352617629.db2.gz DMGBUHAYHSUKHA-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+]([C@@]2(C)C[C@H]2C)C1 575544280 352617630 /nfs/dbraw/zinc/61/76/30/352617630.db2.gz DMGBUHAYHSUKHA-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+]([C@@]2(C)C[C@@H]2C)C1 575544276 352617640 /nfs/dbraw/zinc/61/76/40/352617640.db2.gz DMGBUHAYHSUKHA-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+]([C@@]2(C)C[C@@H]2C)C1 575544276 352617642 /nfs/dbraw/zinc/61/76/42/352617642.db2.gz DMGBUHAYHSUKHA-AXFHLTTASA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+][C@@H]1CC=C(C[N@H+]2CC[C@H]3C[C@H]32)C1 575544477 352617997 /nfs/dbraw/zinc/61/79/97/352617997.db2.gz WETGPKFJEPFOOL-HBNTYKKESA-N 2 1 178.279 1.128 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]([NH+]2CC(C(F)F)C2)C1 575544453 352618056 /nfs/dbraw/zinc/61/80/56/352618056.db2.gz VXECLHFZFVOVDZ-HTQZYQBOSA-N 2 1 190.237 1.063 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CC[C@H]2C[C@H]21 575544483 352618062 /nfs/dbraw/zinc/61/80/62/352618062.db2.gz WGPWJNMUFOARQU-UKKRHICBSA-N 2 1 180.295 1.079 10 0 ADAEMP [NH3+][C@H]1CC[C@H]([NH+]2CC(C(F)F)C2)C1 575544456 352618100 /nfs/dbraw/zinc/61/81/00/352618100.db2.gz VXECLHFZFVOVDZ-YUMQZZPRSA-N 2 1 190.237 1.063 10 0 ADAEMP [NH3+][C@H]1CC[C@@H]([NH+]2CC(C(F)F)C2)C1 575544454 352618212 /nfs/dbraw/zinc/61/82/12/352618212.db2.gz VXECLHFZFVOVDZ-JGVFFNPUSA-N 2 1 190.237 1.063 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([NH+]2CC(C(F)F)C2)C1 575544455 352618256 /nfs/dbraw/zinc/61/82/56/352618256.db2.gz VXECLHFZFVOVDZ-SFYZADRCSA-N 2 1 190.237 1.063 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CC[C@@H]2C[C@@H]21 575544484 352618342 /nfs/dbraw/zinc/61/83/42/352618342.db2.gz WGPWJNMUFOARQU-ZDCRXTMVSA-N 2 1 180.295 1.079 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCCC[C@H]1[NH3+] 575544678 352618557 /nfs/dbraw/zinc/61/85/57/352618557.db2.gz GJJHWHWEGCGUIK-ZJUUUORDSA-N 2 1 182.311 1.741 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCCC[C@@H]1[NH3+] 575544675 352618910 /nfs/dbraw/zinc/61/89/10/352618910.db2.gz GJJHWHWEGCGUIK-UWVGGRQHSA-N 2 1 182.311 1.741 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCCC[C@@H]1[NH3+] 575544677 352618942 /nfs/dbraw/zinc/61/89/42/352618942.db2.gz GJJHWHWEGCGUIK-VHSXEESVSA-N 2 1 182.311 1.741 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCCC[C@H]1[NH3+] 575544674 352618965 /nfs/dbraw/zinc/61/89/65/352618965.db2.gz GJJHWHWEGCGUIK-NXEZZACHSA-N 2 1 182.311 1.741 10 0 ADAEMP Cc1[nH+]c([C@@H]2CC[C@@H]2C[NH3+])cn1C 575544804 352619300 /nfs/dbraw/zinc/61/93/00/352619300.db2.gz IBEWNOJMYRYOKQ-RKDXNWHRSA-N 2 1 179.267 1.181 10 0 ADAEMP Cc1[nH+]c([C@H]2CC[C@@H]2C[NH3+])cn1C 575544798 352619312 /nfs/dbraw/zinc/61/93/12/352619312.db2.gz IBEWNOJMYRYOKQ-BDAKNGLRSA-N 2 1 179.267 1.181 10 0 ADAEMP Cc1[nH+]c([C@H]2CC[C@H]2C[NH3+])cn1C 575544803 352619389 /nfs/dbraw/zinc/61/93/89/352619389.db2.gz IBEWNOJMYRYOKQ-IUCAKERBSA-N 2 1 179.267 1.181 10 0 ADAEMP Cc1[nH+]c([C@@H]2CC[C@H]2C[NH3+])cn1C 575544802 352619629 /nfs/dbraw/zinc/61/96/29/352619629.db2.gz IBEWNOJMYRYOKQ-DTWKUNHWSA-N 2 1 179.267 1.181 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+]1[C@H]1CCCC12CC2 575544998 352619977 /nfs/dbraw/zinc/61/99/77/352619977.db2.gz ZCMPXKZUCDGURK-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]1[C@H]1CCCC12CC2 575544998 352619980 /nfs/dbraw/zinc/61/99/80/352619980.db2.gz ZCMPXKZUCDGURK-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@H]1CCCC12CC2 575544996 352620022 /nfs/dbraw/zinc/62/00/22/352620022.db2.gz ZCMPXKZUCDGURK-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@H]1CCCC12CC2 575544996 352620023 /nfs/dbraw/zinc/62/00/23/352620023.db2.gz ZCMPXKZUCDGURK-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+]1[C@@H]1CCCC12CC2 575544995 352620112 /nfs/dbraw/zinc/62/01/12/352620112.db2.gz ZCMPXKZUCDGURK-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@H]1CC[N@H+]1[C@@H]1CCCC12CC2 575544995 352620114 /nfs/dbraw/zinc/62/01/14/352620114.db2.gz ZCMPXKZUCDGURK-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+]1[C@@H]1CCCC12CC2 575544997 352620213 /nfs/dbraw/zinc/62/02/13/352620213.db2.gz ZCMPXKZUCDGURK-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@H+]1[C@@H]1CCCC12CC2 575544997 352620215 /nfs/dbraw/zinc/62/02/15/352620215.db2.gz ZCMPXKZUCDGURK-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP CCC[N@H+]1CCCCC[C@@H](N)C1 575545309 352621246 /nfs/dbraw/zinc/62/12/46/352621246.db2.gz GJKDSLUYIWARRM-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCN1CCCCC[C@@H]([NH3+])C1 575545309 352621249 /nfs/dbraw/zinc/62/12/49/352621249.db2.gz GJKDSLUYIWARRM-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[N@H+]1CCCCC[C@H](N)C1 575545308 352621308 /nfs/dbraw/zinc/62/13/08/352621308.db2.gz GJKDSLUYIWARRM-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CCCN1CCCCC[C@H]([NH3+])C1 575545308 352621311 /nfs/dbraw/zinc/62/13/11/352621311.db2.gz GJKDSLUYIWARRM-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CCC[C@H]([NH3+])C1 575545183 352621406 /nfs/dbraw/zinc/62/14/06/352621406.db2.gz JOGOCTLTWOITMI-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP [NH3+][C@H]1CCCCC[N@H+](C2CC2)C1 575545336 352621427 /nfs/dbraw/zinc/62/14/27/352621427.db2.gz GTOMFXXNPHRPNM-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+][C@@H]1CCCCC[N@H+](C2CC2)C1 575545335 352621482 /nfs/dbraw/zinc/62/14/82/352621482.db2.gz GTOMFXXNPHRPNM-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CCC[C@@H]([NH3+])C1 575545184 352621567 /nfs/dbraw/zinc/62/15/67/352621567.db2.gz JOGOCTLTWOITMI-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@]1(C)[N@H+]1CCC[C@H]([NH3+])C1 575545185 352621587 /nfs/dbraw/zinc/62/15/87/352621587.db2.gz JOGOCTLTWOITMI-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@]1(C)[N@H+]1CCC[C@@H]([NH3+])C1 575545182 352621650 /nfs/dbraw/zinc/62/16/50/352621650.db2.gz JOGOCTLTWOITMI-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C1CC[NH2+]C[C@@H]([NH+]2CCCC2)CC1 575545795 352623527 /nfs/dbraw/zinc/62/35/27/352623527.db2.gz JUWLMMNOUJQSOF-NSHDSACASA-N 2 1 182.311 1.614 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1CCC[C@@H]1[NH3+] 575545910 352623575 /nfs/dbraw/zinc/62/35/75/352623575.db2.gz OJSLVDDYXVKUDS-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1CCC[C@H]1[NH3+] 575545909 352623615 /nfs/dbraw/zinc/62/36/15/352623615.db2.gz OJSLVDDYXVKUDS-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 575545907 352623643 /nfs/dbraw/zinc/62/36/43/352623643.db2.gz OJSLVDDYXVKUDS-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C1CC[NH2+]C[C@H]([NH+]2CCCC2)CC1 575545794 352623647 /nfs/dbraw/zinc/62/36/47/352623647.db2.gz JUWLMMNOUJQSOF-LLVKDONJSA-N 2 1 182.311 1.614 10 0 ADAEMP CC(C)C[N@H+]1CCCCC[C@H](N)C1 575545788 352623661 /nfs/dbraw/zinc/62/36/61/352623661.db2.gz JOCMCJKXJUHECM-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)C[N@H+]1CCCCC[C@@H](N)C1 575545786 352623668 /nfs/dbraw/zinc/62/36/68/352623668.db2.gz JOCMCJKXJUHECM-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1CCC[C@H]1[NH3+] 575545905 352623731 /nfs/dbraw/zinc/62/37/31/352623731.db2.gz OJSLVDDYXVKUDS-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]c([C@@H]2CC[C@@H]([NH3+])C2)cn1C 575546031 352624135 /nfs/dbraw/zinc/62/41/35/352624135.db2.gz PCQQLVLMYZFPAC-RKDXNWHRSA-N 2 1 179.267 1.323 10 0 ADAEMP Cc1[nH+]c([C@H]2CC[C@@H]([NH3+])C2)cn1C 575546029 352624284 /nfs/dbraw/zinc/62/42/84/352624284.db2.gz PCQQLVLMYZFPAC-DTWKUNHWSA-N 2 1 179.267 1.323 10 0 ADAEMP Cc1[nH+]c([C@H]2CC[C@H]([NH3+])C2)cn1C 575546030 352624409 /nfs/dbraw/zinc/62/44/09/352624409.db2.gz PCQQLVLMYZFPAC-IUCAKERBSA-N 2 1 179.267 1.323 10 0 ADAEMP Cc1[nH+]c([C@@H]2CC[C@H]([NH3+])C2)cn1C 575546028 352624550 /nfs/dbraw/zinc/62/45/50/352624550.db2.gz PCQQLVLMYZFPAC-BDAKNGLRSA-N 2 1 179.267 1.323 10 0 ADAEMP N[C@@H]1CCCCC[N@H+](C2CCC2)C1 575546192 352624568 /nfs/dbraw/zinc/62/45/68/352624568.db2.gz NWXMYAYDYUUDDG-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+][C@@H]1CCCCCN(C2CCC2)C1 575546192 352624569 /nfs/dbraw/zinc/62/45/69/352624569.db2.gz NWXMYAYDYUUDDG-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP N[C@H]1CCCCC[N@H+](C2CCC2)C1 575546183 352624575 /nfs/dbraw/zinc/62/45/75/352624575.db2.gz NWXMYAYDYUUDDG-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+][C@H]1CCCCCN(C2CCC2)C1 575546183 352624576 /nfs/dbraw/zinc/62/45/76/352624576.db2.gz NWXMYAYDYUUDDG-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP Cc1c[nH+]cn1[C@@H]1CC[NH2+][C@H]1C 575548289 352630621 /nfs/dbraw/zinc/63/06/21/352630621.db2.gz BQDNKBMBADDIDD-DTWKUNHWSA-N 2 1 165.240 1.114 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+][C@H]1C 575548291 352630766 /nfs/dbraw/zinc/63/07/66/352630766.db2.gz BQDNKBMBADDIDD-IUCAKERBSA-N 2 1 165.240 1.114 10 0 ADAEMP Cc1c[nH+]cn1[C@H]1CC[NH2+][C@@H]1C 575548285 352630888 /nfs/dbraw/zinc/63/08/88/352630888.db2.gz BQDNKBMBADDIDD-BDAKNGLRSA-N 2 1 165.240 1.114 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 575549542 352634597 /nfs/dbraw/zinc/63/45/97/352634597.db2.gz KKBJEYWSPIMSGF-QWRGUYRKSA-N 2 1 182.311 1.184 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 575549545 352634858 /nfs/dbraw/zinc/63/48/58/352634858.db2.gz KKBJEYWSPIMSGF-WDEREUQCSA-N 2 1 182.311 1.184 10 0 ADAEMP CC(C)(C[NH3+])[N@@H+]1CC(C)(C)C1(C)C 575549579 352635331 /nfs/dbraw/zinc/63/53/31/352635331.db2.gz KWMUZOXPZIXSAQ-UHFFFAOYSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC(C)(C)C1(C)C 575549579 352635332 /nfs/dbraw/zinc/63/53/32/352635332.db2.gz KWMUZOXPZIXSAQ-UHFFFAOYSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CC(C)(C)C1(C)C 575549588 352635357 /nfs/dbraw/zinc/63/53/57/352635357.db2.gz LABKJRASOKBPSA-MRVPVSSYSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CC(C)(C)C1(C)C 575549588 352635360 /nfs/dbraw/zinc/63/53/60/352635360.db2.gz LABKJRASOKBPSA-MRVPVSSYSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CC(C)(C)C1(C)C 575549590 352635410 /nfs/dbraw/zinc/63/54/10/352635410.db2.gz LABKJRASOKBPSA-QMMMGPOBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CC(C)(C)C1(C)C 575549590 352635411 /nfs/dbraw/zinc/63/54/11/352635411.db2.gz LABKJRASOKBPSA-QMMMGPOBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H]1[NH2+]CC[C@H]1n1c[nH+]cc1C 575550450 352638087 /nfs/dbraw/zinc/63/80/87/352638087.db2.gz SBGWELAEZCPBJY-NXEZZACHSA-N 2 1 179.267 1.505 10 0 ADAEMP CC[C@H]1[NH2+]CC[C@@H]1n1c[nH+]cc1C 575550455 352638169 /nfs/dbraw/zinc/63/81/69/352638169.db2.gz SBGWELAEZCPBJY-ZJUUUORDSA-N 2 1 179.267 1.505 10 0 ADAEMP CC[C@@H]1[NH2+]CC[C@@H]1n1c[nH+]cc1C 575550452 352638281 /nfs/dbraw/zinc/63/82/81/352638281.db2.gz SBGWELAEZCPBJY-UWVGGRQHSA-N 2 1 179.267 1.505 10 0 ADAEMP CC[C@@H]1[NH2+]CC[C@H]1n1c[nH+]cc1C 575550453 352638340 /nfs/dbraw/zinc/63/83/40/352638340.db2.gz SBGWELAEZCPBJY-VHSXEESVSA-N 2 1 179.267 1.505 10 0 ADAEMP C[C@H]1C[C@]([NH3+])(CC2CCC2)C[N@@H+]1C 575550663 352638698 /nfs/dbraw/zinc/63/86/98/352638698.db2.gz UEYGLIJPAJMVSN-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@]([NH3+])(CC2CCC2)C[N@H+]1C 575550663 352638700 /nfs/dbraw/zinc/63/87/00/352638700.db2.gz UEYGLIJPAJMVSN-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@]([NH3+])(CC2CCC2)C[N@@H+]1C 575550658 352638775 /nfs/dbraw/zinc/63/87/75/352638775.db2.gz UEYGLIJPAJMVSN-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@]([NH3+])(CC2CCC2)C[N@H+]1C 575550658 352638777 /nfs/dbraw/zinc/63/87/77/352638777.db2.gz UEYGLIJPAJMVSN-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(CC2CCC2)C[N@@H+]1C 575550655 352638806 /nfs/dbraw/zinc/63/88/06/352638806.db2.gz UEYGLIJPAJMVSN-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(CC2CCC2)C[N@H+]1C 575550655 352638808 /nfs/dbraw/zinc/63/88/08/352638808.db2.gz UEYGLIJPAJMVSN-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@@]([NH3+])(CC2CCC2)C[N@@H+]1C 575550660 352638832 /nfs/dbraw/zinc/63/88/32/352638832.db2.gz UEYGLIJPAJMVSN-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@@]([NH3+])(CC2CCC2)C[N@H+]1C 575550660 352638834 /nfs/dbraw/zinc/63/88/34/352638834.db2.gz UEYGLIJPAJMVSN-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CC[NH2+][C@@H]1C 575550697 352639574 /nfs/dbraw/zinc/63/95/74/352639574.db2.gz UGGGGXUJGBSVFK-PSASIEDQSA-N 2 1 179.267 1.368 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CC[NH2+][C@H]1C 575550704 352639584 /nfs/dbraw/zinc/63/95/84/352639584.db2.gz UGGGGXUJGBSVFK-WPRPVWTQSA-N 2 1 179.267 1.368 10 0 ADAEMP CCc1c[nH+]cn1[C@H]1CC[NH2+][C@@H]1C 575550698 352639656 /nfs/dbraw/zinc/63/96/56/352639656.db2.gz UGGGGXUJGBSVFK-SCZZXKLOSA-N 2 1 179.267 1.368 10 0 ADAEMP CCc1c[nH+]cn1[C@@H]1CC[NH2+][C@H]1C 575550702 352639663 /nfs/dbraw/zinc/63/96/63/352639663.db2.gz UGGGGXUJGBSVFK-WCBMZHEXSA-N 2 1 179.267 1.368 10 0 ADAEMP C[N@H+]1C[C@]([NH3+])(C2CC2)CC1(C)C 575553731 352649631 /nfs/dbraw/zinc/64/96/31/352649631.db2.gz GIGUKTAFXBPKEB-JTQLQIEISA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+]2CCCC[C@H]21 575553801 352649672 /nfs/dbraw/zinc/64/96/72/352649672.db2.gz JANUUECVPSHZFK-QWRGUYRKSA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+]2CCCC[C@@H]21 575553799 352649809 /nfs/dbraw/zinc/64/98/09/352649809.db2.gz JANUUECVPSHZFK-GHMZBOCLSA-N 2 1 182.311 1.742 10 0 ADAEMP C[N@H+]1C[C@@]([NH3+])(C2CC2)CC1(C)C 575553732 352649847 /nfs/dbraw/zinc/64/98/47/352649847.db2.gz GIGUKTAFXBPKEB-SNVBAGLBSA-N 2 1 168.284 1.208 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+]2CCCC[C@@H]21 575553800 352649865 /nfs/dbraw/zinc/64/98/65/352649865.db2.gz JANUUECVPSHZFK-MNOVXSKESA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+]2CCCC[C@H]21 575553802 352649872 /nfs/dbraw/zinc/64/98/72/352649872.db2.gz JANUUECVPSHZFK-WDEREUQCSA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@H+]1CCC[C@]([NH3+])(C(C)C)CC1 575553980 352651073 /nfs/dbraw/zinc/65/10/73/352651073.db2.gz CBSBPYKNHKRLAB-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@H+]1CCC[C@@]([NH3+])(C(C)C)CC1 575553981 352651225 /nfs/dbraw/zinc/65/12/25/352651225.db2.gz CBSBPYKNHKRLAB-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1CC[C@@]1([NH3+])Cc1c[nH+]cn1C 575554603 352653044 /nfs/dbraw/zinc/65/30/44/352653044.db2.gz GGBCGSWREGMRGM-PSASIEDQSA-N 2 1 179.267 1.090 10 0 ADAEMP C[C@@H]1CC[C@]1([NH3+])Cc1c[nH+]cn1C 575554604 352653066 /nfs/dbraw/zinc/65/30/66/352653066.db2.gz GGBCGSWREGMRGM-SCZZXKLOSA-N 2 1 179.267 1.090 10 0 ADAEMP C[C@H]1CC[C@@]1([NH3+])Cc1c[nH+]cn1C 575554605 352653185 /nfs/dbraw/zinc/65/31/85/352653185.db2.gz GGBCGSWREGMRGM-WCBMZHEXSA-N 2 1 179.267 1.090 10 0 ADAEMP C[C@H]1CC[C@]1([NH3+])Cc1c[nH+]cn1C 575554606 352653209 /nfs/dbraw/zinc/65/32/09/352653209.db2.gz GGBCGSWREGMRGM-WPRPVWTQSA-N 2 1 179.267 1.090 10 0 ADAEMP CC[C@]1([NH3+])CC[N@H+]2CCCC[C@H]21 575555257 352655576 /nfs/dbraw/zinc/65/55/76/352655576.db2.gz ZMGZWQJVRIUDRE-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@H+]2CCCC[C@H]21 575555259 352655604 /nfs/dbraw/zinc/65/56/04/352655604.db2.gz ZMGZWQJVRIUDRE-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@]1([NH3+])CC[N@H+]2CCCC[C@@H]21 575555260 352655624 /nfs/dbraw/zinc/65/56/24/352655624.db2.gz ZMGZWQJVRIUDRE-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@H+]2CCCC[C@@H]21 575555289 352655720 /nfs/dbraw/zinc/65/57/20/352655720.db2.gz ZVRPJRKBKOZVPH-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@H+]2CCCC[C@@H]21 575555288 352655775 /nfs/dbraw/zinc/65/57/75/352655775.db2.gz ZVRPJRKBKOZVPH-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@H+]2CCCC[C@@H]21 575555255 352655791 /nfs/dbraw/zinc/65/57/91/352655791.db2.gz ZMGZWQJVRIUDRE-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@H+]2CCCC[C@H]21 575555291 352655936 /nfs/dbraw/zinc/65/59/36/352655936.db2.gz ZVRPJRKBKOZVPH-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@H+]2CCCC[C@H]21 575555290 352655962 /nfs/dbraw/zinc/65/59/62/352655962.db2.gz ZVRPJRKBKOZVPH-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+]2CCC[C@H]2C1 575555746 352656888 /nfs/dbraw/zinc/65/68/88/352656888.db2.gz MHRONZOUHCXNIW-QWRGUYRKSA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+]2CCC[C@@H]2C1 575555743 352657036 /nfs/dbraw/zinc/65/70/36/352657036.db2.gz MHRONZOUHCXNIW-GHMZBOCLSA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+]2CCC[C@H]2C1 575555749 352657208 /nfs/dbraw/zinc/65/72/08/352657208.db2.gz MHRONZOUHCXNIW-WDEREUQCSA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+]2CCC[C@@H]2C1 575555744 352657273 /nfs/dbraw/zinc/65/72/73/352657273.db2.gz MHRONZOUHCXNIW-MNOVXSKESA-N 2 1 182.311 1.742 10 0 ADAEMP CC[N@H+]1CCC[C@@](C)([NH3+])CC1 575556239 352659066 /nfs/dbraw/zinc/65/90/66/352659066.db2.gz OQTDZCJTASOECE-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CC[N@H+]1CCC[C@](C)([NH3+])CC1 575556249 352659122 /nfs/dbraw/zinc/65/91/22/352659122.db2.gz OQTDZCJTASOECE-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CC[C@]1([NH3+])CC[N@H+]2CCC[C@@H]2C1 575557251 352662789 /nfs/dbraw/zinc/66/27/89/352662789.db2.gz RZCYAQDEGAYVME-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@H+]2CCC[C@H]2C1 575557237 352662819 /nfs/dbraw/zinc/66/28/19/352662819.db2.gz RZCYAQDEGAYVME-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@H+]2CCC[C@@H]2C1 575557230 352662873 /nfs/dbraw/zinc/66/28/73/352662873.db2.gz RZCYAQDEGAYVME-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@]12C[NH2+]C[C@@H]1C[N@H+](C1CCC1)C2 575557202 352662902 /nfs/dbraw/zinc/66/29/02/352662902.db2.gz MDIVWERAFXXABS-MWLCHTKSSA-N 2 1 180.295 1.080 10 0 ADAEMP CC[C@]1([NH3+])CC[N@H+]2CCC[C@H]2C1 575557236 352662936 /nfs/dbraw/zinc/66/29/36/352662936.db2.gz RZCYAQDEGAYVME-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C1CCC1)C2 575557198 352663061 /nfs/dbraw/zinc/66/30/61/352663061.db2.gz MDIVWERAFXXABS-GXSJLCMTSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCC1)C2 575557201 352663073 /nfs/dbraw/zinc/66/30/73/352663073.db2.gz MDIVWERAFXXABS-KOLCDFICSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@]12C[NH2+]C[C@H]1C[N@H+](C1CCC1)C2 575557206 352663091 /nfs/dbraw/zinc/66/30/91/352663091.db2.gz MDIVWERAFXXABS-ONGXEEELSA-N 2 1 180.295 1.080 10 0 ADAEMP [NH3+][C@]1(C2CC2)CC[N@H+]2CCC[C@@H]2C1 575557348 352663540 /nfs/dbraw/zinc/66/35/40/352663540.db2.gz SZVNZXOCOJVMQZ-GHMZBOCLSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@]1(C2CC2)CC[N@H+]2CCC[C@H]2C1 575557360 352663592 /nfs/dbraw/zinc/66/35/92/352663592.db2.gz SZVNZXOCOJVMQZ-WDEREUQCSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+][C@@]1(C2CC2)CC[N@H+]2CCC[C@@H]2C1 575557350 352663649 /nfs/dbraw/zinc/66/36/49/352663649.db2.gz SZVNZXOCOJVMQZ-MNOVXSKESA-N 2 1 180.295 1.352 10 0 ADAEMP CC1(C)C[N@@H+](CC2C[NH2+]C2)C1(C)C 575557387 352663755 /nfs/dbraw/zinc/66/37/55/352663755.db2.gz TXVKGAWLKIAWOF-UHFFFAOYSA-N 2 1 182.311 1.326 10 0 ADAEMP [NH3+][C@@]1(C2CC2)CC[N@H+]2CCC[C@H]2C1 575557358 352663950 /nfs/dbraw/zinc/66/39/50/352663950.db2.gz SZVNZXOCOJVMQZ-QWRGUYRKSA-N 2 1 180.295 1.352 10 0 ADAEMP CC(C)[C@]1([NH3+])C[C@@H](C)[N@H+](C2CC2)C1 575558302 352667604 /nfs/dbraw/zinc/66/76/04/352667604.db2.gz CKNMLDYZEWMGFW-KOLCDFICSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@@]1([NH3+])C[C@@H](C)[N@H+](C2CC2)C1 575558305 352667695 /nfs/dbraw/zinc/66/76/95/352667695.db2.gz CKNMLDYZEWMGFW-MWLCHTKSSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@]1([NH3+])C[C@H](C)[N@H+](C2CC2)C1 575558308 352667771 /nfs/dbraw/zinc/66/77/71/352667771.db2.gz CKNMLDYZEWMGFW-ONGXEEELSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@@]1([NH3+])C[C@H](C)[N@H+](C2CC2)C1 575558298 352667864 /nfs/dbraw/zinc/66/78/64/352667864.db2.gz CKNMLDYZEWMGFW-GXSJLCMTSA-N 2 1 182.311 1.597 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@H+]2CCC[C@@H]2C1 575558683 352669745 /nfs/dbraw/zinc/66/97/45/352669745.db2.gz XWYIJQATRKKCPY-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@H+]2CCC[C@H]2C1 575558685 352669784 /nfs/dbraw/zinc/66/97/84/352669784.db2.gz XWYIJQATRKKCPY-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@H+]2CCC[C@H]2C1 575558686 352669797 /nfs/dbraw/zinc/66/97/97/352669797.db2.gz XWYIJQATRKKCPY-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+]1CCC[C@@]([NH3+])(CC)CC1 575558797 352669822 /nfs/dbraw/zinc/66/98/22/352669822.db2.gz YOTAVBKDEUJSOG-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@H+]2CCC[C@@H]2C1 575558684 352669871 /nfs/dbraw/zinc/66/98/71/352669871.db2.gz XWYIJQATRKKCPY-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+]1CCC[C@]([NH3+])(CC)CC1 575558800 352669899 /nfs/dbraw/zinc/66/98/99/352669899.db2.gz YOTAVBKDEUJSOG-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP Cn1c[nH+]cc1C[C@@]1([NH3+])CC1(C)C 575560295 352675607 /nfs/dbraw/zinc/67/56/07/352675607.db2.gz JUZGSPNGKOGIIB-SNVBAGLBSA-N 2 1 179.267 1.090 10 0 ADAEMP Cc1ccsc1[C@@]1(N)CC[N@H+](C)C1 575560214 352675872 /nfs/dbraw/zinc/67/58/72/352675872.db2.gz HHBSSMKZEIRLEA-SNVBAGLBSA-N 2 1 196.319 1.546 10 0 ADAEMP Cc1ccsc1[C@]1(N)CC[N@H+](C)C1 575560200 352675906 /nfs/dbraw/zinc/67/59/06/352675906.db2.gz HHBSSMKZEIRLEA-JTQLQIEISA-N 2 1 196.319 1.546 10 0 ADAEMP Cn1c[nH+]cc1C[C@]1([NH3+])CC1(C)C 575560293 352675926 /nfs/dbraw/zinc/67/59/26/352675926.db2.gz JUZGSPNGKOGIIB-JTQLQIEISA-N 2 1 179.267 1.090 10 0 ADAEMP CC(C)[C@@H](C)[C@@]1([NH3+])CC[N@H+](C)C1 575561356 352680345 /nfs/dbraw/zinc/68/03/45/352680345.db2.gz OHWKHGJRCQAXDY-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H](C)[C@@]1([NH3+])CC[N@@H+](C)C1 575561356 352680347 /nfs/dbraw/zinc/68/03/47/352680347.db2.gz OHWKHGJRCQAXDY-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1C[C@]([NH3+])(C2CC2)C[N@H+]1C1CC1 575561374 352680358 /nfs/dbraw/zinc/68/03/58/352680358.db2.gz OLGGTGYGIDOQNQ-LDYMZIIASA-N 2 1 180.295 1.351 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])CC[N@H+](C)C1 575561360 352680366 /nfs/dbraw/zinc/68/03/66/352680366.db2.gz OHWKHGJRCQAXDY-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])CC[N@@H+](C)C1 575561360 352680368 /nfs/dbraw/zinc/68/03/68/352680368.db2.gz OHWKHGJRCQAXDY-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])CC[N@H+](C)C1 575561362 352680372 /nfs/dbraw/zinc/68/03/72/352680372.db2.gz OHWKHGJRCQAXDY-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])CC[N@@H+](C)C1 575561362 352680373 /nfs/dbraw/zinc/68/03/73/352680373.db2.gz OHWKHGJRCQAXDY-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H](C)[C@]1([NH3+])CC[N@H+](C)C1 575561363 352680484 /nfs/dbraw/zinc/68/04/84/352680484.db2.gz OHWKHGJRCQAXDY-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@H](C)[C@]1([NH3+])CC[N@@H+](C)C1 575561363 352680486 /nfs/dbraw/zinc/68/04/86/352680486.db2.gz OHWKHGJRCQAXDY-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[N@H+]1CCC[C@@](C)([NH3+])CC1 575561399 352680537 /nfs/dbraw/zinc/68/05/37/352680537.db2.gz ONYCRHLPTLSNNT-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(C2CC2)C[N@H+]1C1CC1 575561373 352680607 /nfs/dbraw/zinc/68/06/07/352680607.db2.gz OLGGTGYGIDOQNQ-KWQFWETISA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@H]1C[C@]([NH3+])(C2CC2)C[N@H+]1C1CC1 575561370 352680641 /nfs/dbraw/zinc/68/06/41/352680641.db2.gz OLGGTGYGIDOQNQ-GZMMTYOYSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1C[C@@]([NH3+])(C2CC2)C[N@H+]1C1CC1 575561371 352680713 /nfs/dbraw/zinc/68/07/13/352680713.db2.gz OLGGTGYGIDOQNQ-KCJUWKMLSA-N 2 1 180.295 1.351 10 0 ADAEMP CCC[N@H+]1CCC[C@](C)([NH3+])CC1 575561396 352680750 /nfs/dbraw/zinc/68/07/50/352680750.db2.gz ONYCRHLPTLSNNT-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP CC[C@]1([NH3+])CCC[N@H+](C(C)C)CC1 575561409 352681313 /nfs/dbraw/zinc/68/13/13/352681313.db2.gz OPNCXGOVDWFZJR-NSHDSACASA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@@]1([NH3+])CCC[N@H+](C(C)C)CC1 575561408 352681424 /nfs/dbraw/zinc/68/14/24/352681424.db2.gz OPNCXGOVDWFZJR-LLVKDONJSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[C@]1([NH3+])C[C@H](C)[N@H+](C2CC2)C1 575561941 352683965 /nfs/dbraw/zinc/68/39/65/352683965.db2.gz VWQHLFRMWFBYIR-WPRPVWTQSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@@]1([NH3+])C[C@H](C)[N@H+](C2CC2)C1 575561940 352683954 /nfs/dbraw/zinc/68/39/54/352683954.db2.gz VWQHLFRMWFBYIR-WCBMZHEXSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@]1([NH3+])C[C@@H](C)[N@H+](C2CC2)C1 575561938 352684023 /nfs/dbraw/zinc/68/40/23/352684023.db2.gz VWQHLFRMWFBYIR-SCZZXKLOSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[C@@]1([NH3+])C[C@@H](C)[N@H+](C2CC2)C1 575561937 352684209 /nfs/dbraw/zinc/68/42/09/352684209.db2.gz VWQHLFRMWFBYIR-PSASIEDQSA-N 2 1 168.284 1.351 10 0 ADAEMP CCc1c[nH+]cn1[C@@]1(C)CC[NH2+]C1 575563142 352689253 /nfs/dbraw/zinc/68/92/53/352689253.db2.gz FYCFGYYIKKSXOR-JTQLQIEISA-N 2 1 179.267 1.154 10 0 ADAEMP CCc1c[nH+]cn1[C@]1(C)CC[NH2+]C1 575563143 352689273 /nfs/dbraw/zinc/68/92/73/352689273.db2.gz FYCFGYYIKKSXOR-SNVBAGLBSA-N 2 1 179.267 1.154 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCCC2(CC1)CC2 575563848 352692826 /nfs/dbraw/zinc/69/28/26/352692826.db2.gz VADOUHAIBBKQDT-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCCC2(CC1)CC2 575563849 352692884 /nfs/dbraw/zinc/69/28/84/352692884.db2.gz VADOUHAIBBKQDT-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@@]21C 575564676 352697302 /nfs/dbraw/zinc/69/73/02/352697302.db2.gz XLVQYGKKDFDOIM-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@]21C 575564674 352697313 /nfs/dbraw/zinc/69/73/13/352697313.db2.gz XLVQYGKKDFDOIM-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@@]21C 575564671 352697379 /nfs/dbraw/zinc/69/73/79/352697379.db2.gz XLVQYGKKDFDOIM-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@]21C 575564672 352697402 /nfs/dbraw/zinc/69/74/02/352697402.db2.gz XLVQYGKKDFDOIM-GARJFASQSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@@]21C 575564670 352697414 /nfs/dbraw/zinc/69/74/14/352697414.db2.gz XLVQYGKKDFDOIM-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@]21C 575564673 352697436 /nfs/dbraw/zinc/69/74/36/352697436.db2.gz XLVQYGKKDFDOIM-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@]21C 575564679 352697522 /nfs/dbraw/zinc/69/75/22/352697522.db2.gz XLVQYGKKDFDOIM-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)C[C@@]1(C)[N@H+]1CC[C@H](C[NH3+])C1 575565244 352699942 /nfs/dbraw/zinc/69/99/42/352699942.db2.gz HYDQJJYGNRJPOG-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@]1(C)[N@H+]1CC[C@H](C[NH3+])C1 575565243 352700077 /nfs/dbraw/zinc/70/00/77/352700077.db2.gz HYDQJJYGNRJPOG-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@@]1(C)[N@H+]1CC[C@@H](C[NH3+])C1 575565242 352700108 /nfs/dbraw/zinc/70/01/08/352700108.db2.gz HYDQJJYGNRJPOG-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@]1(C)[N@H+]1CC[C@@H](C[NH3+])C1 575565247 352700122 /nfs/dbraw/zinc/70/01/22/352700122.db2.gz HYDQJJYGNRJPOG-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)C[C@@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575565307 352700618 /nfs/dbraw/zinc/70/06/18/352700618.db2.gz ANGFHRFZBABKHS-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@@]1([NH3+])C[C@H](C)[N@H+](C)C1 575565313 352700764 /nfs/dbraw/zinc/70/07/64/352700764.db2.gz ANGFHRFZBABKHS-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575565315 352700846 /nfs/dbraw/zinc/70/08/46/352700846.db2.gz ANGFHRFZBABKHS-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[C@]1([NH3+])C[C@H](C)[N@H+](C)C1 575565309 352700950 /nfs/dbraw/zinc/70/09/50/352700950.db2.gz ANGFHRFZBABKHS-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC1(C)C[C@@]1(C)[N@@H+]1CC[C@H]([NH3+])C1 575565537 352702200 /nfs/dbraw/zinc/70/22/00/352702200.db2.gz LHPALQGWCZSWBP-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@@]1(C)[N@H+]1CC[C@H]([NH3+])C1 575565537 352702201 /nfs/dbraw/zinc/70/22/01/352702201.db2.gz LHPALQGWCZSWBP-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@]1(C)[N@@H+]1CC[C@H]([NH3+])C1 575565539 352702254 /nfs/dbraw/zinc/70/22/54/352702254.db2.gz LHPALQGWCZSWBP-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@]1(C)[N@H+]1CC[C@H]([NH3+])C1 575565539 352702255 /nfs/dbraw/zinc/70/22/55/352702255.db2.gz LHPALQGWCZSWBP-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@]1(C)[N@@H+]1CC[C@@H]([NH3+])C1 575565534 352702274 /nfs/dbraw/zinc/70/22/74/352702274.db2.gz LHPALQGWCZSWBP-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@]1(C)[N@H+]1CC[C@@H]([NH3+])C1 575565534 352702275 /nfs/dbraw/zinc/70/22/75/352702275.db2.gz LHPALQGWCZSWBP-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@@]1(C)[N@@H+]1CC[C@@H]([NH3+])C1 575565531 352702285 /nfs/dbraw/zinc/70/22/85/352702285.db2.gz LHPALQGWCZSWBP-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)C[C@@]1(C)[N@H+]1CC[C@@H]([NH3+])C1 575565531 352702286 /nfs/dbraw/zinc/70/22/86/352702286.db2.gz LHPALQGWCZSWBP-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])CCC[N@H+](C)C1 575565618 352702968 /nfs/dbraw/zinc/70/29/68/352702968.db2.gz AWOZLFJVMZMCKD-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])CCC[N@@H+](C)C1 575565618 352702970 /nfs/dbraw/zinc/70/29/70/352702970.db2.gz AWOZLFJVMZMCKD-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])CCC[N@H+](C)C1 575565619 352702990 /nfs/dbraw/zinc/70/29/90/352702990.db2.gz AWOZLFJVMZMCKD-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])CCC[N@@H+](C)C1 575565619 352702991 /nfs/dbraw/zinc/70/29/91/352702991.db2.gz AWOZLFJVMZMCKD-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H](C)[C@]1([NH3+])CCC[N@H+](C)C1 575565617 352703027 /nfs/dbraw/zinc/70/30/27/352703027.db2.gz AWOZLFJVMZMCKD-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[C@@H](C)[C@]1([NH3+])CCC[N@@H+](C)C1 575565617 352703029 /nfs/dbraw/zinc/70/30/29/352703029.db2.gz AWOZLFJVMZMCKD-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH3+])C[C@H]1C 575565799 352703344 /nfs/dbraw/zinc/70/33/44/352703344.db2.gz RCFZQNYGOBICPI-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575565851 352703405 /nfs/dbraw/zinc/70/34/05/352703405.db2.gz RNGLWEUYHLYPAZ-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[C@@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575565843 352703483 /nfs/dbraw/zinc/70/34/83/352703483.db2.gz RNGLWEUYHLYPAZ-DTWKUNHWSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH3+])C[C@@H]1C 575565796 352703530 /nfs/dbraw/zinc/70/35/30/352703530.db2.gz RCFZQNYGOBICPI-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575565837 352703685 /nfs/dbraw/zinc/70/36/85/352703685.db2.gz RNGLWEUYHLYPAZ-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH3+])C[C@@H]1C 575565794 352703749 /nfs/dbraw/zinc/70/37/49/352703749.db2.gz RCFZQNYGOBICPI-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH3+])C[C@H]1C 575565793 352703797 /nfs/dbraw/zinc/70/37/97/352703797.db2.gz RCFZQNYGOBICPI-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)[C@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575565846 352703804 /nfs/dbraw/zinc/70/38/04/352703804.db2.gz RNGLWEUYHLYPAZ-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC1(C)C[C@@]1(C)C[N@@H+]1CC[C@@H]([NH3+])C1 575566116 352704863 /nfs/dbraw/zinc/70/48/63/352704863.db2.gz PZWNTERVYJBDGG-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@@]1(C)C[N@H+]1CC[C@@H]([NH3+])C1 575566116 352704864 /nfs/dbraw/zinc/70/48/64/352704864.db2.gz PZWNTERVYJBDGG-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@]1(C)C[N@@H+]1CC[C@@H]([NH3+])C1 575566117 352704952 /nfs/dbraw/zinc/70/49/52/352704952.db2.gz PZWNTERVYJBDGG-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@]1(C)C[N@H+]1CC[C@@H]([NH3+])C1 575566117 352704955 /nfs/dbraw/zinc/70/49/55/352704955.db2.gz PZWNTERVYJBDGG-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@@]1(C)C[N@@H+]1CC[C@H]([NH3+])C1 575566118 352705070 /nfs/dbraw/zinc/70/50/70/352705070.db2.gz PZWNTERVYJBDGG-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@@]1(C)C[N@H+]1CC[C@H]([NH3+])C1 575566118 352705073 /nfs/dbraw/zinc/70/50/73/352705073.db2.gz PZWNTERVYJBDGG-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@]1(C)C[N@@H+]1CC[C@H]([NH3+])C1 575566114 352705098 /nfs/dbraw/zinc/70/50/98/352705098.db2.gz PZWNTERVYJBDGG-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)C[C@]1(C)C[N@H+]1CC[C@H]([NH3+])C1 575566114 352705101 /nfs/dbraw/zinc/70/51/01/352705101.db2.gz PZWNTERVYJBDGG-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP CCC[C@]1([NH3+])C[C@H](C)[N@H+](C)C1 575566309 352706263 /nfs/dbraw/zinc/70/62/63/352706263.db2.gz TUYIUDDNKXPNPL-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575566309 352706264 /nfs/dbraw/zinc/70/62/64/352706264.db2.gz TUYIUDDNKXPNPL-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@]1([NH3+])C[C@H](C)[N@H+](C)C1 575566308 352706278 /nfs/dbraw/zinc/70/62/78/352706278.db2.gz TUYIUDDNKXPNPL-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575566308 352706280 /nfs/dbraw/zinc/70/62/80/352706280.db2.gz TUYIUDDNKXPNPL-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575566307 352706427 /nfs/dbraw/zinc/70/64/27/352706427.db2.gz TUYIUDDNKXPNPL-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575566307 352706430 /nfs/dbraw/zinc/70/64/30/352706430.db2.gz TUYIUDDNKXPNPL-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575566310 352706757 /nfs/dbraw/zinc/70/67/57/352706757.db2.gz TUYIUDDNKXPNPL-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575566310 352706761 /nfs/dbraw/zinc/70/67/61/352706761.db2.gz TUYIUDDNKXPNPL-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1([N@H+]2CC[C@H](N)C2)CC=CC1 575567097 352709855 /nfs/dbraw/zinc/70/98/55/352709855.db2.gz XHFBHNJEMOHCQX-VIFPVBQESA-N 2 1 166.268 1.128 10 0 ADAEMP CC1([N@H+]2CC[C@H]([NH3+])C2)CC=CC1 575567097 352709857 /nfs/dbraw/zinc/70/98/57/352709857.db2.gz XHFBHNJEMOHCQX-VIFPVBQESA-N 2 1 166.268 1.128 10 0 ADAEMP CC1([N@H+]2CC[C@@H](N)C2)CC=CC1 575567095 352709923 /nfs/dbraw/zinc/70/99/23/352709923.db2.gz XHFBHNJEMOHCQX-SECBINFHSA-N 2 1 166.268 1.128 10 0 ADAEMP CC1([N@H+]2CC[C@@H]([NH3+])C2)CC=CC1 575567095 352709925 /nfs/dbraw/zinc/70/99/25/352709925.db2.gz XHFBHNJEMOHCQX-SECBINFHSA-N 2 1 166.268 1.128 10 0 ADAEMP CC1([N@H+]2CCCNCC2)CC=CC1 575567134 352710260 /nfs/dbraw/zinc/71/02/60/352710260.db2.gz XYFADDGJDZVIEU-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC1(N2CCC[NH2+]CC2)CC=CC1 575567134 352710263 /nfs/dbraw/zinc/71/02/63/352710263.db2.gz XYFADDGJDZVIEU-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP CC[N@H+]1CC[C@]([NH3+])(C(C)C)C1 575567344 352711201 /nfs/dbraw/zinc/71/12/01/352711201.db2.gz HUXBOAPSPJJWCX-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+](CC)C1 575567455 352711325 /nfs/dbraw/zinc/71/13/25/352711325.db2.gz JTQRGIJKWBYKSW-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@@H+](CC)C1 575567455 352711326 /nfs/dbraw/zinc/71/13/26/352711326.db2.gz JTQRGIJKWBYKSW-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+](CC)C1 575567454 352711388 /nfs/dbraw/zinc/71/13/88/352711388.db2.gz JTQRGIJKWBYKSW-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@@H+](CC)C1 575567454 352711390 /nfs/dbraw/zinc/71/13/90/352711390.db2.gz JTQRGIJKWBYKSW-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP CC[N@H+]1CC[C@@]([NH3+])(C(C)C)C1 575567346 352711494 /nfs/dbraw/zinc/71/14/94/352711494.db2.gz HUXBOAPSPJJWCX-VIFPVBQESA-N 2 1 156.273 1.066 10 0 ADAEMP CCC[N@H+]1CC[C@@]([NH3+])(CC)C1 575567945 352713942 /nfs/dbraw/zinc/71/39/42/352713942.db2.gz ATSUBTMNVGDGIV-VIFPVBQESA-N 2 1 156.273 1.210 10 0 ADAEMP CCC[N@H+]1CC[C@]([NH3+])(CC)C1 575567944 352714060 /nfs/dbraw/zinc/71/40/60/352714060.db2.gz ATSUBTMNVGDGIV-SECBINFHSA-N 2 1 156.273 1.210 10 0 ADAEMP C[C@@H]1C[C@@]([NH3+])(C2CCCC2)C[N@@H+]1C 575568054 352714398 /nfs/dbraw/zinc/71/43/98/352714398.db2.gz DHPLNNOTSLHMPI-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@@]([NH3+])(C2CCCC2)C[N@H+]1C 575568054 352714400 /nfs/dbraw/zinc/71/44/00/352714400.db2.gz DHPLNNOTSLHMPI-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(C2CCCC2)C[N@@H+]1C 575568056 352714429 /nfs/dbraw/zinc/71/44/29/352714429.db2.gz DHPLNNOTSLHMPI-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(C2CCCC2)C[N@H+]1C 575568056 352714431 /nfs/dbraw/zinc/71/44/31/352714431.db2.gz DHPLNNOTSLHMPI-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@]([NH3+])(C2CCCC2)C[N@@H+]1C 575568053 352714537 /nfs/dbraw/zinc/71/45/37/352714537.db2.gz DHPLNNOTSLHMPI-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@]([NH3+])(C2CCCC2)C[N@H+]1C 575568053 352714539 /nfs/dbraw/zinc/71/45/39/352714539.db2.gz DHPLNNOTSLHMPI-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@]([NH3+])(C2CCCC2)C[N@@H+]1C 575568055 352714621 /nfs/dbraw/zinc/71/46/21/352714621.db2.gz DHPLNNOTSLHMPI-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@]([NH3+])(C2CCCC2)C[N@H+]1C 575568055 352714624 /nfs/dbraw/zinc/71/46/24/352714624.db2.gz DHPLNNOTSLHMPI-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@@H+]1CC(C)(C)C1(C)C 575568284 352715837 /nfs/dbraw/zinc/71/58/37/352715837.db2.gz NJTZMJIDWCEANY-BDAKNGLRSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CC(C)(C)C1(C)C 575568284 352715839 /nfs/dbraw/zinc/71/58/39/352715839.db2.gz NJTZMJIDWCEANY-BDAKNGLRSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@@H+]1CC(C)(C)C1(C)C 575568285 352715958 /nfs/dbraw/zinc/71/59/58/352715958.db2.gz NJTZMJIDWCEANY-DTWKUNHWSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 575568285 352715961 /nfs/dbraw/zinc/71/59/61/352715961.db2.gz NJTZMJIDWCEANY-DTWKUNHWSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1CC(C)(C)C1(C)C 575568287 352716067 /nfs/dbraw/zinc/71/60/67/352716067.db2.gz NJTZMJIDWCEANY-IUCAKERBSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CC(C)(C)C1(C)C 575568287 352716068 /nfs/dbraw/zinc/71/60/68/352716068.db2.gz NJTZMJIDWCEANY-IUCAKERBSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CC(C)(C)C1(C)C 575568292 352716102 /nfs/dbraw/zinc/71/61/02/352716102.db2.gz NJTZMJIDWCEANY-RKDXNWHRSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CC(C)(C)C1(C)C 575568292 352716104 /nfs/dbraw/zinc/71/61/04/352716104.db2.gz NJTZMJIDWCEANY-RKDXNWHRSA-N 2 1 184.327 1.843 10 0 ADAEMP C[C@@H]1CCCC[N@H+](C2CC([NH3+])C2)C1 575570793 352727473 /nfs/dbraw/zinc/72/74/73/352727473.db2.gz LYVGOSQONBDGFZ-KPPDAEKUSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCCC[N@H+](C2CC([NH3+])C2)C1 575570794 352727619 /nfs/dbraw/zinc/72/76/19/352727619.db2.gz LYVGOSQONBDGFZ-WHXUTIOJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@@H](C[NH3+])C1 575571581 352730860 /nfs/dbraw/zinc/73/08/60/352730860.db2.gz QEBQFQOAVZKPLU-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)[N@H+]1CC[C@@H](C[NH3+])C1 575571584 352730915 /nfs/dbraw/zinc/73/09/15/352730915.db2.gz QEBQFQOAVZKPLU-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)[N@H+]1CC[C@H](C[NH3+])C1 575571582 352730935 /nfs/dbraw/zinc/73/09/35/352730935.db2.gz QEBQFQOAVZKPLU-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)[N@H+]1CC[C@H](C[NH3+])C1 575571579 352730970 /nfs/dbraw/zinc/73/09/70/352730970.db2.gz QEBQFQOAVZKPLU-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC[N@@H+]1CC[C@@]([NH3+])(C2CCCC2)C1 575571490 352731163 /nfs/dbraw/zinc/73/11/63/352731163.db2.gz VWSKPIMDTHVWKN-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@H+]1CC[C@@]([NH3+])(C2CCCC2)C1 575571490 352731166 /nfs/dbraw/zinc/73/11/66/352731166.db2.gz VWSKPIMDTHVWKN-NSHDSACASA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@@H+]1CC[C@]([NH3+])(C2CCCC2)C1 575571489 352731296 /nfs/dbraw/zinc/73/12/96/352731296.db2.gz VWSKPIMDTHVWKN-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP CC[N@H+]1CC[C@]([NH3+])(C2CCCC2)C1 575571489 352731298 /nfs/dbraw/zinc/73/12/98/352731298.db2.gz VWSKPIMDTHVWKN-LLVKDONJSA-N 2 1 182.311 1.600 10 0 ADAEMP CC1(C)C[N@@H+](C2CC([NH3+])C2)C1(C)C 575571863 352733371 /nfs/dbraw/zinc/73/33/71/352733371.db2.gz XMUGKEBTCKVIBV-UHFFFAOYSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CCCC[N@@H+](CC2C[NH2+]C2)C1 575572573 352736571 /nfs/dbraw/zinc/73/65/71/352736571.db2.gz PUIJPEHUDUJPKX-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP C[C@@H]1CCCC[N@@H+](CC2C[NH2+]C2)C1 575572574 352736939 /nfs/dbraw/zinc/73/69/39/352736939.db2.gz PUIJPEHUDUJPKX-SNVBAGLBSA-N 2 1 182.311 1.328 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575572694 352737242 /nfs/dbraw/zinc/73/72/42/352737242.db2.gz SLEGZOULIQSCOJ-OUAUKWLOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575572694 352737245 /nfs/dbraw/zinc/73/72/45/352737245.db2.gz SLEGZOULIQSCOJ-OUAUKWLOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])C[C@@H](C)[N@H+](C)C1 575572696 352737450 /nfs/dbraw/zinc/73/74/50/352737450.db2.gz SLEGZOULIQSCOJ-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575572696 352737453 /nfs/dbraw/zinc/73/74/53/352737453.db2.gz SLEGZOULIQSCOJ-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])C[C@H](C)[N@H+](C)C1 575572687 352737544 /nfs/dbraw/zinc/73/75/44/352737544.db2.gz SLEGZOULIQSCOJ-GARJFASQSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575572687 352737546 /nfs/dbraw/zinc/73/75/46/352737546.db2.gz SLEGZOULIQSCOJ-GARJFASQSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])C[C@H](C)[N@H+](C)C1 575572685 352737588 /nfs/dbraw/zinc/73/75/88/352737588.db2.gz SLEGZOULIQSCOJ-DCAQKATOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC(C)[C@H](C)[C@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575572685 352737589 /nfs/dbraw/zinc/73/75/89/352737589.db2.gz SLEGZOULIQSCOJ-DCAQKATOSA-N 2 1 184.327 1.700 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575572804 352738082 /nfs/dbraw/zinc/73/80/82/352738082.db2.gz WWQWNLQVCKAFLX-AEJSXWLSSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575572807 352737950 /nfs/dbraw/zinc/73/79/50/352737950.db2.gz WWQWNLQVCKAFLX-GUBZILKMSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])C[C@H](C)[N@@H+](C)C1 575572810 352738114 /nfs/dbraw/zinc/73/81/14/352738114.db2.gz WWQWNLQVCKAFLX-LPEHRKFASA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])C[C@@H](C)[N@@H+](C)C1 575572808 352738174 /nfs/dbraw/zinc/73/81/74/352738174.db2.gz WWQWNLQVCKAFLX-IVZWLZJFSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])C[NH+]2CCC1CC2 575573395 352740832 /nfs/dbraw/zinc/74/08/32/352740832.db2.gz XUBIGQCAYUWAAY-KOLCDFICSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])C[NH+]2CCC1CC2 575573396 352740886 /nfs/dbraw/zinc/74/08/86/352740886.db2.gz XUBIGQCAYUWAAY-MWLCHTKSSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])C[NH+]2CCC1CC2 575573394 352741116 /nfs/dbraw/zinc/74/11/16/352741116.db2.gz XUBIGQCAYUWAAY-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])C[NH+]2CCC1CC2 575573398 352742011 /nfs/dbraw/zinc/74/20/11/352742011.db2.gz XUBIGQCAYUWAAY-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C1CC(C)(C)C1 575574205 352744916 /nfs/dbraw/zinc/74/49/16/352744916.db2.gz MAINFICOJLCVMA-BDAKNGLRSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C1CC(C)(C)C1 575574205 352744918 /nfs/dbraw/zinc/74/49/18/352744918.db2.gz MAINFICOJLCVMA-BDAKNGLRSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCC[C@]21C 575574190 352745019 /nfs/dbraw/zinc/74/50/19/352745019.db2.gz LDSWUQGFCSKAOG-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCC[C@]21C 575574190 352745023 /nfs/dbraw/zinc/74/50/23/352745023.db2.gz LDSWUQGFCSKAOG-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@]21C 575574192 352745058 /nfs/dbraw/zinc/74/50/58/352745058.db2.gz LDSWUQGFCSKAOG-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCC[C@]21C 575574192 352745064 /nfs/dbraw/zinc/74/50/64/352745064.db2.gz LDSWUQGFCSKAOG-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1C1CC(C)(C)C1 575574206 352745335 /nfs/dbraw/zinc/74/53/35/352745335.db2.gz MAINFICOJLCVMA-DTWKUNHWSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1C1CC(C)(C)C1 575574206 352745340 /nfs/dbraw/zinc/74/53/40/352745340.db2.gz MAINFICOJLCVMA-DTWKUNHWSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@@]21C 575574193 352745374 /nfs/dbraw/zinc/74/53/74/352745374.db2.gz LDSWUQGFCSKAOG-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCC[C@@]21C 575574193 352745378 /nfs/dbraw/zinc/74/53/78/352745378.db2.gz LDSWUQGFCSKAOG-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@@]21C 575574189 352745415 /nfs/dbraw/zinc/74/54/15/352745415.db2.gz LDSWUQGFCSKAOG-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1C[C@@H]2CCCC[C@@]21C 575574189 352745419 /nfs/dbraw/zinc/74/54/19/352745419.db2.gz LDSWUQGFCSKAOG-DCAQKATOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CC(C)(C)C1 575574208 352745431 /nfs/dbraw/zinc/74/54/31/352745431.db2.gz MAINFICOJLCVMA-RKDXNWHRSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CC(C)(C)C1 575574208 352745435 /nfs/dbraw/zinc/74/54/35/352745435.db2.gz MAINFICOJLCVMA-RKDXNWHRSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCC[C@@]21C 575574191 352745443 /nfs/dbraw/zinc/74/54/43/352745443.db2.gz LDSWUQGFCSKAOG-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCC[C@@]21C 575574191 352745445 /nfs/dbraw/zinc/74/54/45/352745445.db2.gz LDSWUQGFCSKAOG-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1C1CC(C)(C)C1 575574207 352745469 /nfs/dbraw/zinc/74/54/69/352745469.db2.gz MAINFICOJLCVMA-IUCAKERBSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1C1CC(C)(C)C1 575574207 352745473 /nfs/dbraw/zinc/74/54/73/352745473.db2.gz MAINFICOJLCVMA-IUCAKERBSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@]12CCCC[C@@H]1C[N@@H+]2CC[NH3+] 575574486 352746128 /nfs/dbraw/zinc/74/61/28/352746128.db2.gz WBULSHWSLQNIHT-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@]12CCCC[C@@H]1C[N@H+]2CC[NH3+] 575574486 352746130 /nfs/dbraw/zinc/74/61/30/352746130.db2.gz WBULSHWSLQNIHT-ZJUUUORDSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@]12CCCC[C@H]1C[N@@H+]2CC[NH3+] 575574485 352746145 /nfs/dbraw/zinc/74/61/45/352746145.db2.gz WBULSHWSLQNIHT-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@]12CCCC[C@H]1C[N@H+]2CC[NH3+] 575574485 352746148 /nfs/dbraw/zinc/74/61/48/352746148.db2.gz WBULSHWSLQNIHT-VHSXEESVSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@]12CCCC[C@@H]1C[N@@H+]2CC[NH3+] 575574483 352746175 /nfs/dbraw/zinc/74/61/75/352746175.db2.gz WBULSHWSLQNIHT-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@@]12CCCC[C@@H]1C[N@H+]2CC[NH3+] 575574483 352746178 /nfs/dbraw/zinc/74/61/78/352746178.db2.gz WBULSHWSLQNIHT-NXEZZACHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@]12CCCC[C@H]1C[N@@H+]2CC[NH3+] 575574484 352746195 /nfs/dbraw/zinc/74/61/95/352746195.db2.gz WBULSHWSLQNIHT-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@]12CCCC[C@H]1C[N@H+]2CC[NH3+] 575574484 352746197 /nfs/dbraw/zinc/74/61/97/352746197.db2.gz WBULSHWSLQNIHT-UWVGGRQHSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@H]1C[NH2+][C@@]2(CCC[NH2+]CC2)S1 575574785 352747857 /nfs/dbraw/zinc/74/78/57/352747857.db2.gz AKZVTUBTUMKXEH-IUCAKERBSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@H]1C[NH2+][C@]2(CCC[NH2+]CC2)S1 575574784 352747987 /nfs/dbraw/zinc/74/79/87/352747987.db2.gz AKZVTUBTUMKXEH-DTWKUNHWSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@@H]1C[NH2+][C@@]2(CCC[NH2+]CC2)S1 575574783 352748111 /nfs/dbraw/zinc/74/81/11/352748111.db2.gz AKZVTUBTUMKXEH-BDAKNGLRSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@@H]1C[NH2+][C@]2(CCC[NH2+]CC2)S1 575574787 352748129 /nfs/dbraw/zinc/74/81/29/352748129.db2.gz AKZVTUBTUMKXEH-RKDXNWHRSA-N 2 1 186.324 1.181 10 0 ADAEMP C[N@H+]1CCC[C@@]([NH3+])(C2CC2)CC1 575574888 352748854 /nfs/dbraw/zinc/74/88/54/352748854.db2.gz AIIMZORSUYRGQH-JTQLQIEISA-N 2 1 168.284 1.210 10 0 ADAEMP C[N@H+]1CCC[C@]([NH3+])(C2CC2)CC1 575574890 352749010 /nfs/dbraw/zinc/74/90/10/352749010.db2.gz AIIMZORSUYRGQH-SNVBAGLBSA-N 2 1 168.284 1.210 10 0 ADAEMP C[C@H]1CS[C@@]2(CCC[NH2+]CC2)[NH2+]1 575575115 352749317 /nfs/dbraw/zinc/74/93/17/352749317.db2.gz DVUUGEAGERWEQD-DTWKUNHWSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@@H]1CS[C@@]2(CCC[NH2+]CC2)[NH2+]1 575575119 352749354 /nfs/dbraw/zinc/74/93/54/352749354.db2.gz DVUUGEAGERWEQD-RKDXNWHRSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@H]1CS[C@]2(CCC[NH2+]CC2)[NH2+]1 575575117 352749450 /nfs/dbraw/zinc/74/94/50/352749450.db2.gz DVUUGEAGERWEQD-IUCAKERBSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@@H]1CS[C@]2(CCC[NH2+]CC2)[NH2+]1 575575113 352749462 /nfs/dbraw/zinc/74/94/62/352749462.db2.gz DVUUGEAGERWEQD-BDAKNGLRSA-N 2 1 186.324 1.181 10 0 ADAEMP C[C@@H]1C[C@@]([NH3+])(C2CC2)CC[N@H+]1C 575575379 352751056 /nfs/dbraw/zinc/75/10/56/352751056.db2.gz GNMWLNYLUFIOMX-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[C@]([NH3+])(C2CC2)CC[N@H+]1C 575575385 352750884 /nfs/dbraw/zinc/75/08/84/352750884.db2.gz GNMWLNYLUFIOMX-WPRPVWTQSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[C@]([NH3+])(C2CC2)CC[N@H+]1C 575575381 352750895 /nfs/dbraw/zinc/75/08/95/352750895.db2.gz GNMWLNYLUFIOMX-SCZZXKLOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[C@@]([NH3+])(C2CC2)CC[N@H+]1C 575575383 352751246 /nfs/dbraw/zinc/75/12/46/352751246.db2.gz GNMWLNYLUFIOMX-WCBMZHEXSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575575479 352751472 /nfs/dbraw/zinc/75/14/72/352751472.db2.gz HHUSJNBIOCTFCU-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575575477 352751626 /nfs/dbraw/zinc/75/16/26/352751626.db2.gz HHUSJNBIOCTFCU-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575575478 352751793 /nfs/dbraw/zinc/75/17/93/352751793.db2.gz HHUSJNBIOCTFCU-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575575481 352751915 /nfs/dbraw/zinc/75/19/15/352751915.db2.gz HHUSJNBIOCTFCU-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575575617 352752212 /nfs/dbraw/zinc/75/22/12/352752212.db2.gz IGAUQSQXAJQHNK-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575575624 352752231 /nfs/dbraw/zinc/75/22/31/352752231.db2.gz IGAUQSQXAJQHNK-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575575622 352752266 /nfs/dbraw/zinc/75/22/66/352752266.db2.gz IGAUQSQXAJQHNK-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575575627 352752599 /nfs/dbraw/zinc/75/25/99/352752599.db2.gz IGAUQSQXAJQHNK-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CCC12CCCC2 575575552 352752663 /nfs/dbraw/zinc/75/26/63/352752663.db2.gz BQEBMUHNTSJTBY-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C)[N@@H+](C)[C@H]1C[C@@H](C[NH3+])C1 575575712 352753011 /nfs/dbraw/zinc/75/30/11/352753011.db2.gz DQNJRSKKKYVTAC-DTORHVGOSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)[N@@H+](C)C1CC(C[NH3+])C1 575575714 352753109 /nfs/dbraw/zinc/75/31/09/352753109.db2.gz DQNJRSKKKYVTAC-UHFFFAOYSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@H+]2CCC[C@@H]21 575575800 352753676 /nfs/dbraw/zinc/75/36/76/352753676.db2.gz IXSQWRLPZPJEQO-MNOVXSKESA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@H+]2CCC[C@H]21 575575806 352753692 /nfs/dbraw/zinc/75/36/92/352753692.db2.gz IXSQWRLPZPJEQO-WDEREUQCSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575575863 352753809 /nfs/dbraw/zinc/75/38/09/352753809.db2.gz JPUFJIWITXTHDC-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@@]1([NH3+])C1CC1 575575827 352753846 /nfs/dbraw/zinc/75/38/46/352753846.db2.gz JGEJGTWUJBQKNA-WPRPVWTQSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575575870 352753893 /nfs/dbraw/zinc/75/38/93/352753893.db2.gz JPUFJIWITXTHDC-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575575860 352753977 /nfs/dbraw/zinc/75/39/77/352753977.db2.gz JPUFJIWITXTHDC-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@@]1([NH3+])C1CC1 575575823 352754134 /nfs/dbraw/zinc/75/41/34/352754134.db2.gz JGEJGTWUJBQKNA-SCZZXKLOSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1C[N@@H+](C)CC[C@]1([NH3+])C1CC1 575575825 352754162 /nfs/dbraw/zinc/75/41/62/352754162.db2.gz JGEJGTWUJBQKNA-WCBMZHEXSA-N 2 1 168.284 1.066 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@H+]2CCC[C@H]21 575575803 352754174 /nfs/dbraw/zinc/75/41/74/352754174.db2.gz IXSQWRLPZPJEQO-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575575858 352754186 /nfs/dbraw/zinc/75/41/86/352754186.db2.gz JPUFJIWITXTHDC-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@H+]2CCC[C@@H]21 575575798 352754206 /nfs/dbraw/zinc/75/42/06/352754206.db2.gz IXSQWRLPZPJEQO-GHMZBOCLSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@@H+](C)CC[C@]1([NH3+])C1CC1 575575822 352754216 /nfs/dbraw/zinc/75/42/16/352754216.db2.gz JGEJGTWUJBQKNA-PSASIEDQSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 575576029 352754832 /nfs/dbraw/zinc/75/48/32/352754832.db2.gz IPLLJYJGIVIMIZ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 575576029 352754836 /nfs/dbraw/zinc/75/48/36/352754836.db2.gz IPLLJYJGIVIMIZ-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1C[C@H]1C 575576032 352754873 /nfs/dbraw/zinc/75/48/73/352754873.db2.gz IPLLJYJGIVIMIZ-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1C[C@H]1C 575576032 352754875 /nfs/dbraw/zinc/75/48/75/352754875.db2.gz IPLLJYJGIVIMIZ-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 575576036 352754936 /nfs/dbraw/zinc/75/49/36/352754936.db2.gz IPLLJYJGIVIMIZ-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]([NH3+])C[C@H]1C 575576036 352754937 /nfs/dbraw/zinc/75/49/37/352754937.db2.gz IPLLJYJGIVIMIZ-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1C[C@H]1C 575576034 352754949 /nfs/dbraw/zinc/75/49/49/352754949.db2.gz IPLLJYJGIVIMIZ-UTINFBMNSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1C[C@H]1C 575576034 352754950 /nfs/dbraw/zinc/75/49/50/352754950.db2.gz IPLLJYJGIVIMIZ-UTINFBMNSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575576687 352757602 /nfs/dbraw/zinc/75/76/02/352757602.db2.gz NOTJIPGOMQDISN-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575576685 352757608 /nfs/dbraw/zinc/75/76/08/352757608.db2.gz NOTJIPGOMQDISN-NXEZZACHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575576689 352757666 /nfs/dbraw/zinc/75/76/66/352757666.db2.gz NOTJIPGOMQDISN-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575576691 352758206 /nfs/dbraw/zinc/75/82/06/352758206.db2.gz NOTJIPGOMQDISN-ZJUUUORDSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+]2CCC[C@@H]21 575576773 352758247 /nfs/dbraw/zinc/75/82/47/352758247.db2.gz NRZUGPBRRLLMHD-ZJUUUORDSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1CCC1(C)C 575585079 352800991 /nfs/dbraw/zinc/80/09/91/352800991.db2.gz UGFKVVHQFKGYHG-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+]2CCC[C@H]21 575576763 352758461 /nfs/dbraw/zinc/75/84/61/352758461.db2.gz NRZUGPBRRLLMHD-VHSXEESVSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@H+]2CCC[C@@H]21 575576760 352758547 /nfs/dbraw/zinc/75/85/47/352758547.db2.gz NRZUGPBRRLLMHD-NXEZZACHSA-N 2 1 168.284 1.352 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@H+]2CCC[C@H]21 575576762 352758584 /nfs/dbraw/zinc/75/85/84/352758584.db2.gz NRZUGPBRRLLMHD-UWVGGRQHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575577346 352760534 /nfs/dbraw/zinc/76/05/34/352760534.db2.gz QAYDUMHELXCVSL-GARJFASQSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575577347 352760591 /nfs/dbraw/zinc/76/05/91/352760591.db2.gz QAYDUMHELXCVSL-HBNTYKKESA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575577344 352760719 /nfs/dbraw/zinc/76/07/19/352760719.db2.gz QAYDUMHELXCVSL-AXFHLTTASA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575577345 352760816 /nfs/dbraw/zinc/76/08/16/352760816.db2.gz QAYDUMHELXCVSL-DCAQKATOSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H]1C[C@]1(C)[NH2+]C1CC[NH+](C)CC1 575577510 352761971 /nfs/dbraw/zinc/76/19/71/352761971.db2.gz CQJOXVKPUKZOCX-KOLCDFICSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@@]1(C)[NH2+]C1CC[NH+](C)CC1 575577512 352762271 /nfs/dbraw/zinc/76/22/71/352762271.db2.gz CQJOXVKPUKZOCX-MWLCHTKSSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@@]1(C)[NH2+]C1CC[NH+](C)CC1 575577509 352762429 /nfs/dbraw/zinc/76/24/29/352762429.db2.gz CQJOXVKPUKZOCX-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[C@]1(C)[NH2+]C1CC[NH+](C)CC1 575577514 352762435 /nfs/dbraw/zinc/76/24/35/352762435.db2.gz CQJOXVKPUKZOCX-ONGXEEELSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@@H](N)C[N@H+]1C[C@@H]1CC1(C)C 575577847 352763514 /nfs/dbraw/zinc/76/35/14/352763514.db2.gz RGEHUNCDHXQOAZ-KXUCPTDWSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC1(C)C 575577847 352763518 /nfs/dbraw/zinc/76/35/18/352763518.db2.gz RGEHUNCDHXQOAZ-KXUCPTDWSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@H](N)C[N@H+]1C[C@H]1CC1(C)C 575577845 352763580 /nfs/dbraw/zinc/76/35/80/352763580.db2.gz RGEHUNCDHXQOAZ-BBBLOLIVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC1(C)C 575577845 352763584 /nfs/dbraw/zinc/76/35/84/352763584.db2.gz RGEHUNCDHXQOAZ-BBBLOLIVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H](N)C[N@H+]1C[C@H]1CC1(C)C 575577850 352763682 /nfs/dbraw/zinc/76/36/82/352763682.db2.gz RGEHUNCDHXQOAZ-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC1(C)C 575577850 352763686 /nfs/dbraw/zinc/76/36/86/352763686.db2.gz RGEHUNCDHXQOAZ-OPRDCNLKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@H](N)C[N@H+]1C[C@@H]1CC1(C)C 575577852 352763992 /nfs/dbraw/zinc/76/39/92/352763992.db2.gz RGEHUNCDHXQOAZ-UTLUCORTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC1(C)C 575577852 352763998 /nfs/dbraw/zinc/76/39/98/352763998.db2.gz RGEHUNCDHXQOAZ-UTLUCORTSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC12CC2 575577939 352764512 /nfs/dbraw/zinc/76/45/12/352764512.db2.gz RVMUCRWFSVALPN-KXUCPTDWSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC12CC2 575577944 352764501 /nfs/dbraw/zinc/76/45/01/352764501.db2.gz RVMUCRWFSVALPN-UTLUCORTSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC12CC2 575577944 352764504 /nfs/dbraw/zinc/76/45/04/352764504.db2.gz RVMUCRWFSVALPN-UTLUCORTSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC12CC2 575577939 352764515 /nfs/dbraw/zinc/76/45/15/352764515.db2.gz RVMUCRWFSVALPN-KXUCPTDWSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CC12CC2 575577943 352764581 /nfs/dbraw/zinc/76/45/81/352764581.db2.gz RVMUCRWFSVALPN-OPRDCNLKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC12CC2 575577943 352764583 /nfs/dbraw/zinc/76/45/83/352764583.db2.gz RVMUCRWFSVALPN-OPRDCNLKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CC12CC2 575577938 352764834 /nfs/dbraw/zinc/76/48/34/352764834.db2.gz RVMUCRWFSVALPN-BBBLOLIVSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC12CC2 575577938 352764837 /nfs/dbraw/zinc/76/48/37/352764837.db2.gz RVMUCRWFSVALPN-BBBLOLIVSA-N 2 1 180.295 1.208 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575578316 352766683 /nfs/dbraw/zinc/76/66/83/352766683.db2.gz UOQQHYQSZXHMRM-MNOVXSKESA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CCC12CCCC2 575578378 352766806 /nfs/dbraw/zinc/76/68/06/352766806.db2.gz VYDWYBUWWSWUSU-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CCC12CCCC2 575578378 352766808 /nfs/dbraw/zinc/76/68/08/352766808.db2.gz VYDWYBUWWSWUSU-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)C[C@@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575578318 352766844 /nfs/dbraw/zinc/76/68/44/352766844.db2.gz UOQQHYQSZXHMRM-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C 575593029 352841019 /nfs/dbraw/zinc/84/10/19/352841019.db2.gz VBQDNDIFLGAQIJ-XGEHTFHBSA-N 2 1 156.273 1.062 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCC12CCCC2 575578380 352766987 /nfs/dbraw/zinc/76/69/87/352766987.db2.gz VYDWYBUWWSWUSU-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCC12CCCC2 575578380 352766990 /nfs/dbraw/zinc/76/69/90/352766990.db2.gz VYDWYBUWWSWUSU-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575578319 352767027 /nfs/dbraw/zinc/76/70/27/352767027.db2.gz UOQQHYQSZXHMRM-WDEREUQCSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575578314 352767159 /nfs/dbraw/zinc/76/71/59/352767159.db2.gz UOQQHYQSZXHMRM-GHMZBOCLSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575579300 352771459 /nfs/dbraw/zinc/77/14/59/352771459.db2.gz WQUQMYJLUPFVGL-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575579296 352771512 /nfs/dbraw/zinc/77/15/12/352771512.db2.gz WQUQMYJLUPFVGL-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575579298 352771684 /nfs/dbraw/zinc/77/16/84/352771684.db2.gz WQUQMYJLUPFVGL-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575579293 352771735 /nfs/dbraw/zinc/77/17/35/352771735.db2.gz WQUQMYJLUPFVGL-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575579793 352773810 /nfs/dbraw/zinc/77/38/10/352773810.db2.gz ZWVMPOQMGSSIGW-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575579788 352773446 /nfs/dbraw/zinc/77/34/46/352773446.db2.gz ZTVKNOCMJLXLPA-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575579789 352773477 /nfs/dbraw/zinc/77/34/77/352773477.db2.gz ZTVKNOCMJLXLPA-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@]1([NH3+])CC[N@@H+](C)[C@@H](C)C1 575579786 352773495 /nfs/dbraw/zinc/77/34/95/352773495.db2.gz ZTVKNOCMJLXLPA-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@]1([NH3+])CC[N@@H+](C)[C@H](C)C1 575579785 352773506 /nfs/dbraw/zinc/77/35/06/352773506.db2.gz ZTVKNOCMJLXLPA-NXEZZACHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CC[N@@H+](C)C[C@@H]1C 575579791 352773534 /nfs/dbraw/zinc/77/35/34/352773534.db2.gz ZWVMPOQMGSSIGW-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575579790 352773898 /nfs/dbraw/zinc/77/38/98/352773898.db2.gz ZWVMPOQMGSSIGW-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CC[N@@H+](C)C[C@H]1C 575579794 352773932 /nfs/dbraw/zinc/77/39/32/352773932.db2.gz ZWVMPOQMGSSIGW-HBNTYKKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[C@@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575580339 352776384 /nfs/dbraw/zinc/77/63/84/352776384.db2.gz BKQVGYUDVRHRJJ-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575580336 352776426 /nfs/dbraw/zinc/77/64/26/352776426.db2.gz BKQVGYUDVRHRJJ-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[C@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575580338 352776463 /nfs/dbraw/zinc/77/64/63/352776463.db2.gz BKQVGYUDVRHRJJ-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575580337 352776518 /nfs/dbraw/zinc/77/65/18/352776518.db2.gz BKQVGYUDVRHRJJ-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[C@@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575580997 352780358 /nfs/dbraw/zinc/78/03/58/352780358.db2.gz JELQROSJEBHQCL-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)[C@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575580998 352780548 /nfs/dbraw/zinc/78/05/48/352780548.db2.gz JELQROSJEBHQCL-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H](CN)[N@@H+]1CCCC2(CC1)CC2 575581373 352781764 /nfs/dbraw/zinc/78/17/64/352781764.db2.gz OUIKNBDZDYVGNO-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](CN)[N@H+]1CCCC2(CC1)CC2 575581373 352781766 /nfs/dbraw/zinc/78/17/66/352781766.db2.gz OUIKNBDZDYVGNO-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CCCC2(CC1)CC2 575581373 352781768 /nfs/dbraw/zinc/78/17/68/352781768.db2.gz OUIKNBDZDYVGNO-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CCCC2(CC1)CC2 575581373 352781770 /nfs/dbraw/zinc/78/17/70/352781770.db2.gz OUIKNBDZDYVGNO-SNVBAGLBSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCCC2(CC1)CC2 575581372 352782276 /nfs/dbraw/zinc/78/22/76/352782276.db2.gz OUIKNBDZDYVGNO-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](CN)[N@@H+]1CCCC2(CC1)CC2 575581372 352782268 /nfs/dbraw/zinc/78/22/68/352782268.db2.gz OUIKNBDZDYVGNO-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](CN)[N@H+]1CCCC2(CC1)CC2 575581372 352782272 /nfs/dbraw/zinc/78/22/72/352782272.db2.gz OUIKNBDZDYVGNO-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCCC2(CC1)CC2 575581372 352782281 /nfs/dbraw/zinc/78/22/81/352782281.db2.gz OUIKNBDZDYVGNO-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CC(C)C[C@@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575581615 352783289 /nfs/dbraw/zinc/78/32/89/352783289.db2.gz UREZDEZWCUINEI-NSHDSACASA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[C@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575581614 352783541 /nfs/dbraw/zinc/78/35/41/352783541.db2.gz UREZDEZWCUINEI-LLVKDONJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575581838 352784073 /nfs/dbraw/zinc/78/40/73/352784073.db2.gz YOOOUJOUZWXGAL-VIFPVBQESA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575581837 352784125 /nfs/dbraw/zinc/78/41/25/352784125.db2.gz YOOOUJOUZWXGAL-SECBINFHSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[C@@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575581739 352784152 /nfs/dbraw/zinc/78/41/52/352784152.db2.gz XBLHIVQCVYGNSP-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@]1([NH3+])C[N@@H+](C)C(C)(C)C1 575581740 352784204 /nfs/dbraw/zinc/78/42/04/352784204.db2.gz XBLHIVQCVYGNSP-SNVBAGLBSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]1C 575581972 352784788 /nfs/dbraw/zinc/78/47/88/352784788.db2.gz AWNHGGGUSDTKRG-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1C[C@H](C)[C@H]1C 575581987 352784820 /nfs/dbraw/zinc/78/48/20/352784820.db2.gz BIJRMCRGDDAYBU-XHNCKOQMSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H](CF)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 575582003 352784830 /nfs/dbraw/zinc/78/48/30/352784830.db2.gz BIPLYTXZETYAIW-IWSPIJDZSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H](CF)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 575582003 352784831 /nfs/dbraw/zinc/78/48/31/352784831.db2.gz BIPLYTXZETYAIW-IWSPIJDZSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1C[C@H](C)[C@@H]1C 575581979 352784859 /nfs/dbraw/zinc/78/48/59/352784859.db2.gz BIJRMCRGDDAYBU-CIUDSAMLSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H](CF)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 575582001 352784866 /nfs/dbraw/zinc/78/48/66/352784866.db2.gz BIPLYTXZETYAIW-HLTSFMKQSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H](CF)[N@H+]1CC[C@H]([NH3+])C[C@H]1C 575582001 352784868 /nfs/dbraw/zinc/78/48/68/352784868.db2.gz BIPLYTXZETYAIW-HLTSFMKQSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1[C@H](C)CF 575582005 352784874 /nfs/dbraw/zinc/78/48/74/352784874.db2.gz BIPLYTXZETYAIW-YIZRAAEISA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1[C@H](C)CF 575582005 352784875 /nfs/dbraw/zinc/78/48/75/352784875.db2.gz BIPLYTXZETYAIW-YIZRAAEISA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])[C@@H]1C 575581932 352784893 /nfs/dbraw/zinc/78/48/93/352784893.db2.gz ANXJVKDRFHNTPB-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])[C@@H]1C 575581932 352784896 /nfs/dbraw/zinc/78/48/96/352784896.db2.gz ANXJVKDRFHNTPB-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1C[N@H+](CC(C)(C)[NH3+])[C@H]1C 575581936 352785001 /nfs/dbraw/zinc/78/50/01/352785001.db2.gz ANXJVKDRFHNTPB-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])[C@H]1C 575581936 352785006 /nfs/dbraw/zinc/78/50/06/352785006.db2.gz ANXJVKDRFHNTPB-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@]1(C)CC[NH2+]C1 575581975 352785039 /nfs/dbraw/zinc/78/50/39/352785039.db2.gz AWNHGGGUSDTKRG-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1C[C@@H](C)[C@H]1C 575581981 352785088 /nfs/dbraw/zinc/78/50/88/352785088.db2.gz BIJRMCRGDDAYBU-HRDYMLBCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H]1C 575581974 352785102 /nfs/dbraw/zinc/78/51/02/352785102.db2.gz AWNHGGGUSDTKRG-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1C[C@@H](C)[C@@H]1C 575581984 352785136 /nfs/dbraw/zinc/78/51/36/352785136.db2.gz BIJRMCRGDDAYBU-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1[C@H](C)CF 575581999 352785237 /nfs/dbraw/zinc/78/52/37/352785237.db2.gz BIPLYTXZETYAIW-DJLDLDEBSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1[C@H](C)CF 575581999 352785243 /nfs/dbraw/zinc/78/52/43/352785243.db2.gz BIPLYTXZETYAIW-DJLDLDEBSA-N 2 1 174.263 1.156 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1CC(C)(C)[NH3+] 575581934 352785395 /nfs/dbraw/zinc/78/53/95/352785395.db2.gz ANXJVKDRFHNTPB-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC(C)(C)[NH3+] 575581934 352785399 /nfs/dbraw/zinc/78/53/99/352785399.db2.gz ANXJVKDRFHNTPB-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@]1(C)CC[NH2+]C1 575581982 352785446 /nfs/dbraw/zinc/78/54/46/352785446.db2.gz AWNHGGGUSDTKRG-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@@H+]([C@@H](C)CF)C1 575582053 352785711 /nfs/dbraw/zinc/78/57/11/352785711.db2.gz BXGPIIPVKJHYPH-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@@H](C)CF)C1 575582053 352785712 /nfs/dbraw/zinc/78/57/12/352785712.db2.gz BXGPIIPVKJHYPH-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1[C@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@H]1C 575582011 352785990 /nfs/dbraw/zinc/78/59/90/352785990.db2.gz BIYMMBBMFGXUKS-UTINFBMNSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@@H+]([C@H](C)CF)C1 575582049 352785803 /nfs/dbraw/zinc/78/58/03/352785803.db2.gz BXGPIIPVKJHYPH-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]1C[NH2+]CCC[N@H+]([C@H](C)CF)C1 575582049 352785808 /nfs/dbraw/zinc/78/58/08/352785808.db2.gz BXGPIIPVKJHYPH-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@@H+]([C@H](C)CF)C1 575582054 352785892 /nfs/dbraw/zinc/78/58/92/352785892.db2.gz BXGPIIPVKJHYPH-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+]([C@H](C)CF)C1 575582054 352785896 /nfs/dbraw/zinc/78/58/96/352785896.db2.gz BXGPIIPVKJHYPH-VHSXEESVSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H](CF)[N@@H+]1CCC[NH2+]C[C@@H](C)C1 575582056 352785969 /nfs/dbraw/zinc/78/59/69/352785969.db2.gz BXGPIIPVKJHYPH-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H](CF)[N@H+]1CCC[NH2+]C[C@@H](C)C1 575582056 352785972 /nfs/dbraw/zinc/78/59/72/352785972.db2.gz BXGPIIPVKJHYPH-ZJUUUORDSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C 575582013 352786200 /nfs/dbraw/zinc/78/62/00/352786200.db2.gz BIYMMBBMFGXUKS-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@H]1C 575582010 352786320 /nfs/dbraw/zinc/78/63/20/352786320.db2.gz BIYMMBBMFGXUKS-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1(C)CC[N@@H+]1CC12CC(C[NH2+]1)C2 575582027 352786341 /nfs/dbraw/zinc/78/63/41/352786341.db2.gz BDECMLBFWMETFS-UHFFFAOYSA-N 2 1 180.295 1.223 10 0 ADAEMP CC1(C)CC[N@H+]1CC12CC(C[NH2+]1)C2 575582027 352786346 /nfs/dbraw/zinc/78/63/46/352786346.db2.gz BDECMLBFWMETFS-UHFFFAOYSA-N 2 1 180.295 1.223 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@@H]1C 575582174 352786737 /nfs/dbraw/zinc/78/67/37/352786737.db2.gz CKNHOUNDFOJXMU-CIUDSAMLSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1C[C@H](C)[C@@H]1C 575582184 352786612 /nfs/dbraw/zinc/78/66/12/352786612.db2.gz CKNHOUNDFOJXMU-XHNCKOQMSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1C[C@H](C)[C@H]1C 575582186 352786654 /nfs/dbraw/zinc/78/66/54/352786654.db2.gz CKNHOUNDFOJXMU-YIZRAAEISA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1C[C@H](C)[C@H]1C 575582186 352786658 /nfs/dbraw/zinc/78/66/58/352786658.db2.gz CKNHOUNDFOJXMU-YIZRAAEISA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+]1C[C@H](C)[C@H]1C 575582175 352786804 /nfs/dbraw/zinc/78/68/04/352786804.db2.gz CKNHOUNDFOJXMU-DJLDLDEBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H]1C 575582177 352787053 /nfs/dbraw/zinc/78/70/53/352787053.db2.gz CKNHOUNDFOJXMU-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@@H]1C 575582183 352787108 /nfs/dbraw/zinc/78/71/08/352787108.db2.gz CKNHOUNDFOJXMU-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]2)[C@@H]1C 575582310 352787445 /nfs/dbraw/zinc/78/74/45/352787445.db2.gz DXHOBYLCPLPBRO-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]2)[C@@H]1C 575582310 352787441 /nfs/dbraw/zinc/78/74/41/352787441.db2.gz DXHOBYLCPLPBRO-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1C[C@@]1(C)CCC[NH2+]1 575582312 352787564 /nfs/dbraw/zinc/78/75/64/352787564.db2.gz DXHOBYLCPLPBRO-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@]1(C)CCC[NH2+]1 575582312 352787567 /nfs/dbraw/zinc/78/75/67/352787567.db2.gz DXHOBYLCPLPBRO-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]2)[C@@H]1C 575582309 352787811 /nfs/dbraw/zinc/78/78/11/352787811.db2.gz DXHOBYLCPLPBRO-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]2)[C@@H]1C 575582309 352787814 /nfs/dbraw/zinc/78/78/14/352787814.db2.gz DXHOBYLCPLPBRO-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1C[C@]1(C)CCC[NH2+]1 575582314 352787902 /nfs/dbraw/zinc/78/79/02/352787902.db2.gz DXHOBYLCPLPBRO-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@]1(C)CCC[NH2+]1 575582314 352787905 /nfs/dbraw/zinc/78/79/05/352787905.db2.gz DXHOBYLCPLPBRO-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1CC1C[NH2+]C1 575582828 352789890 /nfs/dbraw/zinc/78/98/90/352789890.db2.gz HYJFBJJPCKBRCM-DTORHVGOSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@H](C)CF)CCC[NH2+]1 575582873 352789911 /nfs/dbraw/zinc/78/99/11/352789911.db2.gz IQKIGKNPOKCLRT-NXEZZACHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@@H]1CC[N@@H+]([C@H](C)CF)CCC[NH2+]1 575582873 352789914 /nfs/dbraw/zinc/78/99/14/352789914.db2.gz IQKIGKNPOKCLRT-NXEZZACHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@H]1CC[N@H+]([C@H](C)CF)CCC[NH2+]1 575582877 352789950 /nfs/dbraw/zinc/78/99/50/352789950.db2.gz IQKIGKNPOKCLRT-VHSXEESVSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@H](C)CF)CCC[NH2+]1 575582877 352789953 /nfs/dbraw/zinc/78/99/53/352789953.db2.gz IQKIGKNPOKCLRT-VHSXEESVSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@@H](CF)[N@@H+]1CCC[NH2+][C@H](C)CC1 575582879 352790094 /nfs/dbraw/zinc/79/00/94/352790094.db2.gz IQKIGKNPOKCLRT-ZJUUUORDSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@@H](CF)[N@H+]1CCC[NH2+][C@H](C)CC1 575582879 352790097 /nfs/dbraw/zinc/79/00/97/352790097.db2.gz IQKIGKNPOKCLRT-ZJUUUORDSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@H]1CC[N@H+]([C@@H](C)CF)CCC[NH2+]1 575582875 352790182 /nfs/dbraw/zinc/79/01/82/352790182.db2.gz IQKIGKNPOKCLRT-UWVGGRQHSA-N 2 1 188.290 1.418 10 0 ADAEMP C[C@H]1CC[N@@H+]([C@@H](C)CF)CCC[NH2+]1 575582875 352790184 /nfs/dbraw/zinc/79/01/84/352790184.db2.gz IQKIGKNPOKCLRT-UWVGGRQHSA-N 2 1 188.290 1.418 10 0 ADAEMP CC1(C)CC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 575583041 352790733 /nfs/dbraw/zinc/79/07/33/352790733.db2.gz INWOLRJXOUXGFK-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@]1(C)CCC[NH2+]1 575583041 352790736 /nfs/dbraw/zinc/79/07/36/352790736.db2.gz INWOLRJXOUXGFK-LLVKDONJSA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575583140 352791240 /nfs/dbraw/zinc/79/12/40/352791240.db2.gz JEJZPGZDZKMLOD-DTORHVGOSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCCC[C@@H]21 575583160 352791251 /nfs/dbraw/zinc/79/12/51/352791251.db2.gz JGEKGENPXTWPOY-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575583151 352791313 /nfs/dbraw/zinc/79/13/13/352791313.db2.gz JEJZPGZDZKMLOD-KYZUINATSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC[N@@H+]1C[C@]1(C)CCC[NH2+]1 575583042 352791319 /nfs/dbraw/zinc/79/13/19/352791319.db2.gz INWOLRJXOUXGFK-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@]1(C)CCC[NH2+]1 575583042 352791320 /nfs/dbraw/zinc/79/13/20/352791320.db2.gz INWOLRJXOUXGFK-NSHDSACASA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCCC[C@H]21 575583155 352791394 /nfs/dbraw/zinc/79/13/94/352791394.db2.gz JGEKGENPXTWPOY-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCCCC[C@@H]21 575583177 352792027 /nfs/dbraw/zinc/79/20/27/352792027.db2.gz JGEKGENPXTWPOY-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCCCC[C@H]21 575583168 352792092 /nfs/dbraw/zinc/79/20/92/352792092.db2.gz JGEKGENPXTWPOY-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H](CF)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)[C@H]1C 575583251 352792155 /nfs/dbraw/zinc/79/21/55/352792155.db2.gz LLYLLPNTFPXCAJ-AXTSPUMRSA-N 2 1 188.290 1.402 10 0 ADAEMP C[C@@H](CF)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)[C@@H]1C 575583250 352792178 /nfs/dbraw/zinc/79/21/78/352792178.db2.gz LLYLLPNTFPXCAJ-AATLWQCWSA-N 2 1 188.290 1.402 10 0 ADAEMP C[C@H]1[C@H](C)[C@H]([NH3+])CC[N@@H+]1[C@H](C)CF 575583253 352792341 /nfs/dbraw/zinc/79/23/41/352792341.db2.gz LLYLLPNTFPXCAJ-XFWSIPNHSA-N 2 1 188.290 1.402 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]([C@H](C)CF)[C@@H]1C 575583252 352792382 /nfs/dbraw/zinc/79/23/82/352792382.db2.gz LLYLLPNTFPXCAJ-UTINFBMNSA-N 2 1 188.290 1.402 10 0 ADAEMP CC1(C[N@H+]2CCC2(C)C)C[NH2+]C1 575583725 352793605 /nfs/dbraw/zinc/79/36/05/352793605.db2.gz MALZEEAZLXEMME-UHFFFAOYSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1CCC[NH2+]C1 575583724 352793718 /nfs/dbraw/zinc/79/37/18/352793718.db2.gz LZWGEDOVQNBYFG-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1C 575583492 352793764 /nfs/dbraw/zinc/79/37/64/352793764.db2.gz LZWGEDOVQNBYFG-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP 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C[C@H]1C[N@H+](CC2([NH3+])CCC2)[C@@H]1C 575583838 352794481 /nfs/dbraw/zinc/79/44/81/352794481.db2.gz QIWUIZGDVYZQBK-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[N@@H+](CC2([NH3+])CCC2)[C@@H]1C 575583838 352794486 /nfs/dbraw/zinc/79/44/86/352794486.db2.gz QIWUIZGDVYZQBK-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@H+]2C[C@H](C)[C@@H]2C)C1 575583774 352794501 /nfs/dbraw/zinc/79/45/01/352794501.db2.gz MOEUASUSFGYYFD-SEQHWMEXSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H](CF)[NH+]1CCC[NH2+]CCC1 575583746 352794537 /nfs/dbraw/zinc/79/45/37/352794537.db2.gz OTEFRJCNSJFWSO-VIFPVBQESA-N 2 1 174.263 1.030 10 0 ADAEMP C[C@H]1C[N@H+](CC2([NH3+])CCC2)[C@H]1C 575583839 352794548 /nfs/dbraw/zinc/79/45/48/352794548.db2.gz QIWUIZGDVYZQBK-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1C[N@@H+](CC2([NH3+])CCC2)[C@H]1C 575583839 352794549 /nfs/dbraw/zinc/79/45/49/352794549.db2.gz QIWUIZGDVYZQBK-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2C=C[C@@H]([NH3+])C2)[C@@H]1C 575583743 352794569 /nfs/dbraw/zinc/79/45/69/352794569.db2.gz MDGIEDTUXDSSQC-GWOFURMSSA-N 2 1 180.295 1.230 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1CC1([NH3+])CCC1 575583837 352794575 /nfs/dbraw/zinc/79/45/75/352794575.db2.gz QIWUIZGDVYZQBK-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC1([NH3+])CCC1 575583837 352794576 /nfs/dbraw/zinc/79/45/76/352794576.db2.gz QIWUIZGDVYZQBK-BDAKNGLRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@H+](CC2([NH3+])CCC2)[C@@H]1C 575583840 352794589 /nfs/dbraw/zinc/79/45/89/352794589.db2.gz QIWUIZGDVYZQBK-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2([NH3+])CCC2)[C@@H]1C 575583840 352794593 /nfs/dbraw/zinc/79/45/93/352794593.db2.gz QIWUIZGDVYZQBK-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@H+]2C[C@@H](C)[C@H]2C)C1 575583779 352794614 /nfs/dbraw/zinc/79/46/14/352794614.db2.gz MOEUASUSFGYYFD-WYNUPADASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@H+]1CCC1(C)C 575583875 352794985 /nfs/dbraw/zinc/79/49/85/352794985.db2.gz NFKUDCBZELTGGK-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C[N@@H+]1C[C@H](C)[C@H]1C)=C1C[NH2+]C1 575583900 352795029 /nfs/dbraw/zinc/79/50/29/352795029.db2.gz NQBOBJWAHMBPON-WCBMZHEXSA-N 2 1 180.295 1.246 10 0 ADAEMP CC1(C)CC[N@H+]1CC1([NH3+])CCCC1 575583870 352795042 /nfs/dbraw/zinc/79/50/42/352795042.db2.gz NCXWOQFOXVWAGT-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP CC(C[N@@H+]1C[C@@H](C)[C@H]1C)=C1C[NH2+]C1 575583894 352795077 /nfs/dbraw/zinc/79/50/77/352795077.db2.gz NQBOBJWAHMBPON-PSASIEDQSA-N 2 1 180.295 1.246 10 0 ADAEMP C[C@H]1[NH2+]CC[C@@H]1C[N@H+]1CCC1(C)C 575583872 352795103 /nfs/dbraw/zinc/79/51/03/352795103.db2.gz NFKUDCBZELTGGK-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C[N@@H+]1C[C@H](C)[C@@H]1C)=C1C[NH2+]C1 575583903 352795108 /nfs/dbraw/zinc/79/51/08/352795108.db2.gz NQBOBJWAHMBPON-WPRPVWTQSA-N 2 1 180.295 1.246 10 0 ADAEMP CC(C[N@@H+]1C[C@@H](C)[C@@H]1C)=C1C[NH2+]C1 575583897 352795135 /nfs/dbraw/zinc/79/51/35/352795135.db2.gz NQBOBJWAHMBPON-SCZZXKLOSA-N 2 1 180.295 1.246 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1CC1CC([NH3+])C1 575583855 352795309 /nfs/dbraw/zinc/79/53/09/352795309.db2.gz QOTBHQHVRRQIRC-IXBNRNDTSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@H+]1CCC1(C)C 575583874 352795334 /nfs/dbraw/zinc/79/53/34/352795334.db2.gz NFKUDCBZELTGGK-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@H+]1CCC1(C)C 575583873 352795442 /nfs/dbraw/zinc/79/54/42/352795442.db2.gz NFKUDCBZELTGGK-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[N@@H+]1CCC1(C)C 575584298 352795755 /nfs/dbraw/zinc/79/57/55/352795755.db2.gz PKIIFPNDINJWEL-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[NH2+][C@@H]1C[N@H+]1CCC1(C)C 575584298 352795756 /nfs/dbraw/zinc/79/57/56/352795756.db2.gz PKIIFPNDINJWEL-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H]1C[N@@H+]1CCC1(C)C 575584300 352795820 /nfs/dbraw/zinc/79/58/20/352795820.db2.gz PKIIFPNDINJWEL-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[NH2+][C@@H]1C[N@H+]1CCC1(C)C 575584300 352795824 /nfs/dbraw/zinc/79/58/24/352795824.db2.gz PKIIFPNDINJWEL-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]C1CCC([N@H+]2CC[C@@H]3C[C@@H]32)CC1 575584257 352795839 /nfs/dbraw/zinc/79/58/39/352795839.db2.gz PBWBTOOQDGDSGX-SFXRXQKFSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+]C1CCC([N@H+]2CC[C@H]3C[C@H]32)CC1 575584254 352795888 /nfs/dbraw/zinc/79/58/88/352795888.db2.gz PBWBTOOQDGDSGX-IDWGSYCQSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CC[C@@H]2C[C@@H]21 575584271 352795907 /nfs/dbraw/zinc/79/59/07/352795907.db2.gz PDLWEFPOBFTLKU-ZNSHCXBVSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CC[C@@H]2C[C@@H]21 575584271 352795910 /nfs/dbraw/zinc/79/59/10/352795910.db2.gz PDLWEFPOBFTLKU-ZNSHCXBVSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@H]1CC[NH2+][C@H]1C[N@@H+]1CCC1(C)C 575584299 352795934 /nfs/dbraw/zinc/79/59/34/352795934.db2.gz PKIIFPNDINJWEL-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[NH2+][C@H]1C[N@H+]1CCC1(C)C 575584299 352795938 /nfs/dbraw/zinc/79/59/38/352795938.db2.gz PKIIFPNDINJWEL-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H]1C[N@@H+]1CCC1(C)C 575584301 352796112 /nfs/dbraw/zinc/79/61/12/352796112.db2.gz PKIIFPNDINJWEL-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H]1C[N@H+]1CCC1(C)C 575584301 352796115 /nfs/dbraw/zinc/79/61/15/352796115.db2.gz PKIIFPNDINJWEL-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CC[C@H]2C[C@H]21 575584266 352796201 /nfs/dbraw/zinc/79/62/01/352796201.db2.gz PDLWEFPOBFTLKU-VPOLOUISSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CC[C@H]2C[C@H]21 575584266 352796203 /nfs/dbraw/zinc/79/62/03/352796203.db2.gz PDLWEFPOBFTLKU-VPOLOUISSA-N 2 1 180.295 1.221 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1C[C@@H](C)[C@H]1C 575584394 352796534 /nfs/dbraw/zinc/79/65/34/352796534.db2.gz PYECYYHWNBZZPM-GWOFURMSSA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1C[C@@H](C)[C@@H]1C 575584392 352796546 /nfs/dbraw/zinc/79/65/46/352796546.db2.gz PYECYYHWNBZZPM-CHWFTXMASA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@H]2C[NH2+]C[C@H]2C)[C@H]1C 575584397 352796638 /nfs/dbraw/zinc/79/66/38/352796638.db2.gz PYECYYHWNBZZPM-VPOLOUISSA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+]1C[C@H](C)[C@H]1C 575584395 352796671 /nfs/dbraw/zinc/79/66/71/352796671.db2.gz PYECYYHWNBZZPM-LMLFDSFASA-N 2 1 182.311 1.182 10 0 ADAEMP C[C@@H](CF)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 575584534 352797580 /nfs/dbraw/zinc/79/75/80/352797580.db2.gz WDLZQRPCVKQCEN-VGMNWLOBSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)CF)CC[C@H]1[NH3+] 575584530 352797413 /nfs/dbraw/zinc/79/74/13/352797413.db2.gz WDLZQRPCVKQCEN-IWSPIJDZSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)CF)CC[C@H]1[NH3+] 575584530 352797415 /nfs/dbraw/zinc/79/74/15/352797415.db2.gz WDLZQRPCVKQCEN-IWSPIJDZSA-N 2 1 174.263 1.014 10 0 ADAEMP CC1(C[N@H+]2C[C@@H]3CCC[C@@H]32)C[NH2+]C1 575584763 352798382 /nfs/dbraw/zinc/79/83/82/352798382.db2.gz QFWGKYWBEBAPGV-UWVGGRQHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)CF)CC[C@@H]1[NH3+] 575584528 352797512 /nfs/dbraw/zinc/79/75/12/352797512.db2.gz WDLZQRPCVKQCEN-HLTSFMKQSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)CF)CC[C@@H]1[NH3+] 575584528 352797515 /nfs/dbraw/zinc/79/75/15/352797515.db2.gz WDLZQRPCVKQCEN-HLTSFMKQSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H](CF)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 575584529 352797542 /nfs/dbraw/zinc/79/75/42/352797542.db2.gz WDLZQRPCVKQCEN-HRDYMLBCSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H](CF)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 575584529 352797545 /nfs/dbraw/zinc/79/75/45/352797545.db2.gz WDLZQRPCVKQCEN-HRDYMLBCSA-N 2 1 174.263 1.014 10 0 ADAEMP C[C@@H](CF)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 575584534 352797577 /nfs/dbraw/zinc/79/75/77/352797577.db2.gz WDLZQRPCVKQCEN-VGMNWLOBSA-N 2 1 174.263 1.014 10 0 ADAEMP CC1(C[N@H+]2C[C@@H]3CCC[C@H]32)C[NH2+]C1 575584764 352798318 /nfs/dbraw/zinc/79/83/18/352798318.db2.gz QFWGKYWBEBAPGV-VHSXEESVSA-N 2 1 180.295 1.080 10 0 ADAEMP CC1(C[N@H+]2C[C@H]3CCC[C@H]32)C[NH2+]C1 575584762 352798397 /nfs/dbraw/zinc/79/83/97/352798397.db2.gz QFWGKYWBEBAPGV-NXEZZACHSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 575584810 352798872 /nfs/dbraw/zinc/79/88/72/352798872.db2.gz RGCJAQPRBUHMNO-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1C 575584805 352798896 /nfs/dbraw/zinc/79/88/96/352798896.db2.gz RGCJAQPRBUHMNO-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@H]32)C1 575584811 352798919 /nfs/dbraw/zinc/79/89/19/352798919.db2.gz RGGYGPCJWPJZDO-CHWFTXMASA-N 2 1 180.295 1.208 10 0 ADAEMP C1C[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)[C@H]2C1 575584842 352798946 /nfs/dbraw/zinc/79/89/46/352798946.db2.gz RPNGZESLNOUXAR-VWYCJHECSA-N 2 1 180.295 1.080 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@H]32)C1 575584816 352798994 /nfs/dbraw/zinc/79/89/94/352798994.db2.gz RGGYGPCJWPJZDO-UKKRHICBSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@H]32)C1 575584817 352799005 /nfs/dbraw/zinc/79/90/05/352799005.db2.gz RGGYGPCJWPJZDO-XWLWVQCSSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]32)C1 575584815 352799029 /nfs/dbraw/zinc/79/90/29/352799029.db2.gz RGGYGPCJWPJZDO-NAKRPEOUSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@H]32)C1 575584818 352799036 /nfs/dbraw/zinc/79/90/36/352799036.db2.gz RGGYGPCJWPJZDO-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP CC1(C[N@H+]2C[C@H]3CCC[C@@H]32)C[NH2+]C1 575584765 352799059 /nfs/dbraw/zinc/79/90/59/352799059.db2.gz QFWGKYWBEBAPGV-ZJUUUORDSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])[C@H]1C 575584806 352799084 /nfs/dbraw/zinc/79/90/84/352799084.db2.gz RGCJAQPRBUHMNO-NAKRPEOUSA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@@H]32)C1 575584814 352799095 /nfs/dbraw/zinc/79/90/95/352799095.db2.gz RGGYGPCJWPJZDO-MMWGEVLESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@H]32)C1 575584813 352799132 /nfs/dbraw/zinc/79/91/32/352799132.db2.gz RGGYGPCJWPJZDO-GWOFURMSSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575584780 352799228 /nfs/dbraw/zinc/79/92/28/352799228.db2.gz QOTBHQHVRRQIRC-BIBSGERRSA-N 2 1 182.311 1.597 10 0 ADAEMP C1C[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)[C@@H]2C1 575584840 352799311 /nfs/dbraw/zinc/79/93/11/352799311.db2.gz RPNGZESLNOUXAR-GARJFASQSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1C 575584808 352799326 /nfs/dbraw/zinc/79/93/26/352799326.db2.gz RGCJAQPRBUHMNO-VLEAKVRGSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575584782 352799332 /nfs/dbraw/zinc/79/93/32/352799332.db2.gz QOTBHQHVRRQIRC-DTIDVZRVSA-N 2 1 182.311 1.597 10 0 ADAEMP C1C[C@H]2C[N@H+](C[C@@H]3CC[NH2+]C3)[C@@H]2C1 575584841 352799352 /nfs/dbraw/zinc/79/93/52/352799352.db2.gz RPNGZESLNOUXAR-OUAUKWLOSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 575584807 352799382 /nfs/dbraw/zinc/79/93/82/352799382.db2.gz RGCJAQPRBUHMNO-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@H]32)C1 575584812 352799392 /nfs/dbraw/zinc/79/93/92/352799392.db2.gz RGGYGPCJWPJZDO-DBIOUOCHSA-N 2 1 180.295 1.208 10 0 ADAEMP C1C[C@H]2C[N@H+](C[C@H]3CC[NH2+]C3)[C@H]2C1 575584839 352799447 /nfs/dbraw/zinc/79/94/47/352799447.db2.gz RPNGZESLNOUXAR-DCAQKATOSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCC[C@H]1[NH3+] 575584809 352799461 /nfs/dbraw/zinc/79/94/61/352799461.db2.gz RGCJAQPRBUHMNO-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C1C[NH2+]CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C1 575584989 352799827 /nfs/dbraw/zinc/79/98/27/352799827.db2.gz RSTMEYRTOSGWPY-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)[C@@H]1C 575584991 352799787 /nfs/dbraw/zinc/79/97/87/352799787.db2.gz RUWKKRYYGBDNJA-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C1(C[N@@H+]2C[C@@H]3CCCC[C@H]32)CC1 575585042 352799867 /nfs/dbraw/zinc/79/98/67/352799867.db2.gz SYGCQJMFRUEZRN-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@@H]3CCCC[C@H]32)CC1 575585042 352799868 /nfs/dbraw/zinc/79/98/68/352799868.db2.gz SYGCQJMFRUEZRN-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1C1(C[NH3+])CCCC1 575584994 352800020 /nfs/dbraw/zinc/80/00/20/352800020.db2.gz RUWKKRYYGBDNJA-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C1C[NH2+]CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C1 575584988 352800036 /nfs/dbraw/zinc/80/00/36/352800036.db2.gz RSTMEYRTOSGWPY-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP CC1(C)CC[N@H+]1CC1=CC[C@H]([NH3+])C1 575585009 352800080 /nfs/dbraw/zinc/80/00/80/352800080.db2.gz SIODVWDUWRULPJ-JTQLQIEISA-N 2 1 180.295 1.518 10 0 ADAEMP [NH3+]C1(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 575585041 352800115 /nfs/dbraw/zinc/80/01/15/352800115.db2.gz SYGCQJMFRUEZRN-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 575585041 352800118 /nfs/dbraw/zinc/80/01/18/352800118.db2.gz SYGCQJMFRUEZRN-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]1C[N@H+](C2(C[NH3+])CCCC2)[C@@H]1C 575584993 352800161 /nfs/dbraw/zinc/80/01/61/352800161.db2.gz RUWKKRYYGBDNJA-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1CC1=CC[C@@H]([NH3+])C1 575585010 352800176 /nfs/dbraw/zinc/80/01/76/352800176.db2.gz SIODVWDUWRULPJ-SNVBAGLBSA-N 2 1 180.295 1.518 10 0 ADAEMP [NH3+]C1(C[N@@H+]2C[C@H]3CCCC[C@H]32)CC1 575585040 352800201 /nfs/dbraw/zinc/80/02/01/352800201.db2.gz SYGCQJMFRUEZRN-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@H]3CCCC[C@H]32)CC1 575585040 352800204 /nfs/dbraw/zinc/80/02/04/352800204.db2.gz SYGCQJMFRUEZRN-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]1C[N@H+](C2(C[NH3+])CCCC2)[C@H]1C 575584992 352800253 /nfs/dbraw/zinc/80/02/53/352800253.db2.gz RUWKKRYYGBDNJA-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C1(C[N@@H+]2C[C@H]3CCCC[C@@H]32)CC1 575585043 352800268 /nfs/dbraw/zinc/80/02/68/352800268.db2.gz SYGCQJMFRUEZRN-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1(C[N@H+]2C[C@H]3CCCC[C@@H]32)CC1 575585043 352800271 /nfs/dbraw/zinc/80/02/71/352800271.db2.gz SYGCQJMFRUEZRN-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@]2(C)C[C@@H]2C)C1 575585171 352800791 /nfs/dbraw/zinc/80/07/91/352800791.db2.gz BUTSVGDEEIBSEI-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@]2(C)C[C@@H]2C)C1 575585171 352800792 /nfs/dbraw/zinc/80/07/92/352800792.db2.gz BUTSVGDEEIBSEI-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]1C[N@H+]1CCC1(C)C 575585062 352800845 /nfs/dbraw/zinc/80/08/45/352800845.db2.gz UBGKQSREPNOFNH-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@]2(C)C[C@H]2C)C1 575585169 352801003 /nfs/dbraw/zinc/80/10/03/352801003.db2.gz BUTSVGDEEIBSEI-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@]2(C)C[C@H]2C)C1 575585169 352801005 /nfs/dbraw/zinc/80/10/05/352801005.db2.gz BUTSVGDEEIBSEI-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[NH2+]C[C@@H]1C[N@H+]1CCC1(C)C 575585063 352801014 /nfs/dbraw/zinc/80/10/14/352801014.db2.gz UBGKQSREPNOFNH-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CC[C@H]2C)[C@@H]1C 575585092 352801114 /nfs/dbraw/zinc/80/11/14/352801114.db2.gz ULLPRMOIYGMXDG-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@@]2(C)C[C@@H]2C)C1 575585167 352801178 /nfs/dbraw/zinc/80/11/78/352801178.db2.gz BUTSVGDEEIBSEI-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@@]2(C)C[C@@H]2C)C1 575585167 352801179 /nfs/dbraw/zinc/80/11/79/352801179.db2.gz BUTSVGDEEIBSEI-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[C@H]([NH3+])C[N@H+]1CCC1(C)C 575585080 352801218 /nfs/dbraw/zinc/80/12/18/352801218.db2.gz UGFKVVHQFKGYHG-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC1(C)C 575585064 352801254 /nfs/dbraw/zinc/80/12/54/352801254.db2.gz UBGKQSREPNOFNH-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+]([C@]2(C)C[C@H]2C)C1 575585173 352801275 /nfs/dbraw/zinc/80/12/75/352801275.db2.gz BUTSVGDEEIBSEI-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+]([C@]2(C)C[C@H]2C)C1 575585173 352801279 /nfs/dbraw/zinc/80/12/79/352801279.db2.gz BUTSVGDEEIBSEI-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1CC[NH2+]C1 575585409 352801654 /nfs/dbraw/zinc/80/16/54/352801654.db2.gz UULBYFDCXPTOFJ-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@]1(C[NH3+])CC[C@@H]1C 575585379 352801753 /nfs/dbraw/zinc/80/17/53/352801753.db2.gz ULLPRMOIYGMXDG-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@]1(C[NH3+])CC[C@@H]1C 575585379 352801756 /nfs/dbraw/zinc/80/17/56/352801756.db2.gz ULLPRMOIYGMXDG-RCWTZXSCSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1CC[NH2+]C1 575585412 352801800 /nfs/dbraw/zinc/80/18/00/352801800.db2.gz UULBYFDCXPTOFJ-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CC[C@@]1(C[NH3+])[N@@H+]1C[C@@H](C)[C@H]1C 575585382 352802055 /nfs/dbraw/zinc/80/20/55/352802055.db2.gz ULLPRMOIYGMXDG-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[C@@]1(C[NH3+])[N@H+]1C[C@@H](C)[C@H]1C 575585382 352802060 /nfs/dbraw/zinc/80/20/60/352802060.db2.gz ULLPRMOIYGMXDG-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@]1(C[NH3+])CC[C@H]1C 575585385 352802152 /nfs/dbraw/zinc/80/21/52/352802152.db2.gz ULLPRMOIYGMXDG-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@]1(C[NH3+])CC[C@H]1C 575585385 352802156 /nfs/dbraw/zinc/80/21/56/352802156.db2.gz ULLPRMOIYGMXDG-ZNSHCXBVSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@@H]21 575585675 352803347 /nfs/dbraw/zinc/80/33/47/352803347.db2.gz WKHGQPAWOSPZIZ-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCC1(C)C 575585476 352802611 /nfs/dbraw/zinc/80/26/11/352802611.db2.gz VJAGAXILFDBNNM-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]([NH3+])CC[N@H+]1CCC1(C)C 575585471 352802733 /nfs/dbraw/zinc/80/27/33/352802733.db2.gz VJAGAXILFDBNNM-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@@H]21 575585676 352803561 /nfs/dbraw/zinc/80/35/61/352803561.db2.gz WKHGQPAWOSPZIZ-GUBZILKMSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@]12C[NH2+]C[C@H]1C2 575585504 352802861 /nfs/dbraw/zinc/80/28/61/352802861.db2.gz VODFXMFPILBLMK-KOLCDFICSA-N 2 1 180.295 1.080 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@]12C[NH2+]C[C@@H]1C2 575585503 352802871 /nfs/dbraw/zinc/80/28/71/352802871.db2.gz VODFXMFPILBLMK-GXSJLCMTSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CCCC[C@H]21 575585677 352803220 /nfs/dbraw/zinc/80/32/20/352803220.db2.gz WKHGQPAWOSPZIZ-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]21 575585677 352803223 /nfs/dbraw/zinc/80/32/23/352803223.db2.gz WKHGQPAWOSPZIZ-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CCCC[C@H]21 575585678 352803236 /nfs/dbraw/zinc/80/32/36/352803236.db2.gz WKHGQPAWOSPZIZ-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@H]21 575585678 352803238 /nfs/dbraw/zinc/80/32/38/352803238.db2.gz WKHGQPAWOSPZIZ-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCCC[C@@H]21 575585675 352803342 /nfs/dbraw/zinc/80/33/42/352803342.db2.gz WKHGQPAWOSPZIZ-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2CCCC[C@@H]21 575585681 352803414 /nfs/dbraw/zinc/80/34/14/352803414.db2.gz WKHGQPAWOSPZIZ-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@@H]21 575585681 352803416 /nfs/dbraw/zinc/80/34/16/352803416.db2.gz WKHGQPAWOSPZIZ-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCCC[C@H]21 575585680 352803639 /nfs/dbraw/zinc/80/36/39/352803639.db2.gz WKHGQPAWOSPZIZ-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCCC[C@@H]21 575585676 352803558 /nfs/dbraw/zinc/80/35/58/352803558.db2.gz WKHGQPAWOSPZIZ-GUBZILKMSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]21 575585680 352803641 /nfs/dbraw/zinc/80/36/41/352803641.db2.gz WKHGQPAWOSPZIZ-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CCCC[C@@H]21 575585674 352803685 /nfs/dbraw/zinc/80/36/85/352803685.db2.gz WKHGQPAWOSPZIZ-AEJSXWLSSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CCCC[C@@H]21 575585674 352803688 /nfs/dbraw/zinc/80/36/88/352803688.db2.gz WKHGQPAWOSPZIZ-AEJSXWLSSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCCC[C@H]21 575585679 352803728 /nfs/dbraw/zinc/80/37/28/352803728.db2.gz WKHGQPAWOSPZIZ-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCCC[C@H]21 575585679 352803730 /nfs/dbraw/zinc/80/37/30/352803730.db2.gz WKHGQPAWOSPZIZ-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1C[C@H]([NH3+])C1 575585814 352804210 /nfs/dbraw/zinc/80/42/10/352804210.db2.gz XRVKVGDTCVQQQA-UTINFBMNSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@H]1C 575585815 352804147 /nfs/dbraw/zinc/80/41/47/352804147.db2.gz XRVKVGDTCVQQQA-XKNYDFJKSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C 575585811 352804201 /nfs/dbraw/zinc/80/42/01/352804201.db2.gz XRVKVGDTCVQQQA-KYXWUPHJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 575585810 352804349 /nfs/dbraw/zinc/80/43/49/352804349.db2.gz XRVKVGDTCVQQQA-JXUBOQSCSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)[C@@H]1C 575585816 352804377 /nfs/dbraw/zinc/80/43/77/352804377.db2.gz XRVKVGDTCVQQQA-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 575585813 352804549 /nfs/dbraw/zinc/80/45/49/352804549.db2.gz XRVKVGDTCVQQQA-RGOKHQFPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C 575585812 352804571 /nfs/dbraw/zinc/80/45/71/352804571.db2.gz XRVKVGDTCVQQQA-QCLAVDOMSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1C[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)[C@H]1C 575585809 352804581 /nfs/dbraw/zinc/80/45/81/352804581.db2.gz XRVKVGDTCVQQQA-AATLWQCWSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1C=C[C@@H]([NH3+])C1 575586001 352804850 /nfs/dbraw/zinc/80/48/50/352804850.db2.gz YZEYPSYEZHWDDI-NXEZZACHSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@H]1C[C@]1(C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 575585898 352804773 /nfs/dbraw/zinc/80/47/73/352804773.db2.gz PEXIOMPFOSYFIU-ZDCRXTMVSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1C[C@@]1(C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 575585897 352804899 /nfs/dbraw/zinc/80/48/99/352804899.db2.gz PEXIOMPFOSYFIU-LNFKQOIKSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1C=C[C@H]([NH3+])C1 575586002 352805154 /nfs/dbraw/zinc/80/51/54/352805154.db2.gz YZEYPSYEZHWDDI-UWVGGRQHSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@]1(C)C[C@H]1C 575585896 352805397 /nfs/dbraw/zinc/80/53/97/352805397.db2.gz PEXIOMPFOSYFIU-GWOFURMSSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1[C@@]1(C)C[C@H]1C 575585895 352805495 /nfs/dbraw/zinc/80/54/95/352805495.db2.gz PEXIOMPFOSYFIU-DBIOUOCHSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1C=C[C@@H]([NH3+])C1 575586003 352805869 /nfs/dbraw/zinc/80/58/69/352805869.db2.gz YZEYPSYEZHWDDI-VHSXEESVSA-N 2 1 180.295 1.374 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@@H+]1CC[C@H](N)C1 575586126 352805891 /nfs/dbraw/zinc/80/58/91/352805891.db2.gz UOCBBFWRSFGVIU-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@H+]1CC[C@H](N)C1 575586126 352805894 /nfs/dbraw/zinc/80/58/94/352805894.db2.gz UOCBBFWRSFGVIU-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@@H+]1CC[C@H]([NH3+])C1 575586126 352805898 /nfs/dbraw/zinc/80/58/98/352805898.db2.gz UOCBBFWRSFGVIU-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@H+]1CC[C@H]([NH3+])C1 575586126 352805900 /nfs/dbraw/zinc/80/59/00/352805900.db2.gz UOCBBFWRSFGVIU-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@@H+]1CC[C@@H](N)C1 575586128 352805990 /nfs/dbraw/zinc/80/59/90/352805990.db2.gz UOCBBFWRSFGVIU-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@H+]1CC[C@@H](N)C1 575586128 352805991 /nfs/dbraw/zinc/80/59/91/352805991.db2.gz UOCBBFWRSFGVIU-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@@H+]1CC[C@@H]([NH3+])C1 575586128 352805994 /nfs/dbraw/zinc/80/59/94/352805994.db2.gz UOCBBFWRSFGVIU-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@]1(C)C[N@H+]1CC[C@@H]([NH3+])C1 575586128 352805999 /nfs/dbraw/zinc/80/59/99/352805999.db2.gz UOCBBFWRSFGVIU-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@@H+]1CC[C@@H](N)C1 575586124 352806011 /nfs/dbraw/zinc/80/60/11/352806011.db2.gz UOCBBFWRSFGVIU-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@H+]1CC[C@@H](N)C1 575586124 352806015 /nfs/dbraw/zinc/80/60/15/352806015.db2.gz UOCBBFWRSFGVIU-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@@H+]1CC[C@@H]([NH3+])C1 575586124 352806016 /nfs/dbraw/zinc/80/60/16/352806016.db2.gz UOCBBFWRSFGVIU-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@H+]1CC[C@@H]([NH3+])C1 575586124 352806018 /nfs/dbraw/zinc/80/60/18/352806018.db2.gz UOCBBFWRSFGVIU-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@@H+]1CC[C@H](N)C1 575586131 352806216 /nfs/dbraw/zinc/80/62/16/352806216.db2.gz UOCBBFWRSFGVIU-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@H+]1CC[C@H](N)C1 575586131 352806219 /nfs/dbraw/zinc/80/62/19/352806219.db2.gz UOCBBFWRSFGVIU-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@@H+]1CC[C@H]([NH3+])C1 575586131 352806222 /nfs/dbraw/zinc/80/62/22/352806222.db2.gz UOCBBFWRSFGVIU-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[C@@]1(C)C[N@H+]1CC[C@H]([NH3+])C1 575586131 352806225 /nfs/dbraw/zinc/80/62/25/352806225.db2.gz UOCBBFWRSFGVIU-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1C=C[C@H]([NH3+])C1 575586004 352806299 /nfs/dbraw/zinc/80/62/99/352806299.db2.gz YZEYPSYEZHWDDI-ZJUUUORDSA-N 2 1 180.295 1.374 10 0 ADAEMP CC(C[N@H+]1CCC1(C)C)=C1C[NH2+]C1 575586017 352806325 /nfs/dbraw/zinc/80/63/25/352806325.db2.gz ZIJUXQBGUPBNKR-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP C[C@H]1[NH2+]CC[C@H]1C[N@@H+]1C[C@@H](C)[C@H]1C 575586157 352806578 /nfs/dbraw/zinc/80/65/78/352806578.db2.gz ZSEHOURHKZCGCY-DBIOUOCHSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+][C@@H]1C 575586164 352806929 /nfs/dbraw/zinc/80/69/29/352806929.db2.gz ZSEHOURHKZCGCY-ZNSHCXBVSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1C[C@@H](C)[C@@H]1C 575586158 352806999 /nfs/dbraw/zinc/80/69/99/352806999.db2.gz ZSEHOURHKZCGCY-RCWTZXSCSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1C[C@@H](C)[C@H]1C 575586163 352807013 /nfs/dbraw/zinc/80/70/13/352807013.db2.gz ZSEHOURHKZCGCY-YTWAJWBKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1C[C@@]1(C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 575586429 352807544 /nfs/dbraw/zinc/80/75/44/352807544.db2.gz ZYTKKKQYZPNHHR-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@]2(C)C[C@H]2C)CC[C@H]1[NH3+] 575586426 352807398 /nfs/dbraw/zinc/80/73/98/352807398.db2.gz ZYTKKKQYZPNHHR-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1C[C@@]1(C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 575586427 352807719 /nfs/dbraw/zinc/80/77/19/352807719.db2.gz ZYTKKKQYZPNHHR-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+]CC1([N@H+]2CCC23CCC3)CCC1 575586579 352808141 /nfs/dbraw/zinc/80/81/41/352808141.db2.gz AWKIYRPZCOJUKW-UHFFFAOYSA-N 2 1 180.295 1.496 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@]2(C)C[C@H]2C)CC[C@@H]1[NH3+] 575586425 352807765 /nfs/dbraw/zinc/80/77/65/352807765.db2.gz ZYTKKKQYZPNHHR-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[NH+]1CC(C2CC2)C1 575586532 352808163 /nfs/dbraw/zinc/80/81/63/352808163.db2.gz DSFWJWHZKJXQGG-WDEREUQCSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2CC2(C)C)C[C@H]1[NH3+] 575586547 352808215 /nfs/dbraw/zinc/80/82/15/352808215.db2.gz FENOXFMKYKHPAT-OPRDCNLKSA-N 2 1 182.311 1.312 10 0 ADAEMP [NH3+]CC1([N@H+]2CCC23CCCC3)CC1 575586649 352808222 /nfs/dbraw/zinc/80/82/22/352808222.db2.gz CIMOYOXTEOMPPO-UHFFFAOYSA-N 2 1 180.295 1.496 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC2(C)C)C[C@@H]1[NH3+] 575586548 352808232 /nfs/dbraw/zinc/80/82/32/352808232.db2.gz FENOXFMKYKHPAT-UTLUCORTSA-N 2 1 182.311 1.312 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[NH+]1CC(C2CC2)C1 575586529 352808342 /nfs/dbraw/zinc/80/83/42/352808342.db2.gz DSFWJWHZKJXQGG-GHMZBOCLSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2CC2(C)C)C[C@@H]1[NH3+] 575586545 352808349 /nfs/dbraw/zinc/80/83/49/352808349.db2.gz FENOXFMKYKHPAT-BBBLOLIVSA-N 2 1 182.311 1.312 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CC(C2CC2)C1 575586530 352808369 /nfs/dbraw/zinc/80/83/69/352808369.db2.gz DSFWJWHZKJXQGG-MNOVXSKESA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1[NH+]1CC(C2CC2)C1 575586531 352808395 /nfs/dbraw/zinc/80/83/95/352808395.db2.gz DSFWJWHZKJXQGG-QWRGUYRKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC2(C)C)C[C@H]1[NH3+] 575586546 352808438 /nfs/dbraw/zinc/80/84/38/352808438.db2.gz FENOXFMKYKHPAT-KXUCPTDWSA-N 2 1 182.311 1.312 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@@H]2CCC[C@H]21 575586861 352809017 /nfs/dbraw/zinc/80/90/17/352809017.db2.gz DBFJQXONJCBWSM-DTWKUNHWSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@@H]2CCC[C@@H]21 575586862 352809504 /nfs/dbraw/zinc/80/95/04/352809504.db2.gz DBFJQXONJCBWSM-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)C2(C1)CC2 575586949 352809562 /nfs/dbraw/zinc/80/95/62/352809562.db2.gz FBAUMQCDSOULPB-VHSXEESVSA-N 2 1 180.295 1.271 10 0 ADAEMP [NH3+]CC[N@@H+]1CCC12CCCCC2 575586898 352809682 /nfs/dbraw/zinc/80/96/82/352809682.db2.gz DOBFPCPTGLILQP-UHFFFAOYSA-N 2 1 168.284 1.354 10 0 ADAEMP [NH3+]CC[N@H+]1CCC12CCCCC2 575586898 352809685 /nfs/dbraw/zinc/80/96/85/352809685.db2.gz DOBFPCPTGLILQP-UHFFFAOYSA-N 2 1 168.284 1.354 10 0 ADAEMP [NH3+]CC1([N@H+]2C[C@H]3CCC[C@H]32)CCC1 575586987 352809734 /nfs/dbraw/zinc/80/97/34/352809734.db2.gz FXUNMGXTBBZNHI-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CCC[C@H]21 575586863 352809754 /nfs/dbraw/zinc/80/97/54/352809754.db2.gz DBFJQXONJCBWSM-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP C1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)C2(C1)CC2 575586950 352809825 /nfs/dbraw/zinc/80/98/25/352809825.db2.gz FBAUMQCDSOULPB-ZJUUUORDSA-N 2 1 180.295 1.271 10 0 ADAEMP C1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2(C1)CC2 575586944 352809902 /nfs/dbraw/zinc/80/99/02/352809902.db2.gz FBAUMQCDSOULPB-NXEZZACHSA-N 2 1 180.295 1.271 10 0 ADAEMP C1C[C@H]([NH2+][C@H]2CC[NH2+]C2)C2(C1)CC2 575586945 352809927 /nfs/dbraw/zinc/80/99/27/352809927.db2.gz FBAUMQCDSOULPB-UWVGGRQHSA-N 2 1 180.295 1.271 10 0 ADAEMP [NH3+]CC1([N@H+]2C[C@@H]3CCC[C@H]32)CCC1 575587034 352810148 /nfs/dbraw/zinc/81/01/48/352810148.db2.gz FXUNMGXTBBZNHI-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]CC1([N@H+]2C[C@@H]3CCC[C@@H]32)CCC1 575587032 352810207 /nfs/dbraw/zinc/81/02/07/352810207.db2.gz FXUNMGXTBBZNHI-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]CC1([N@H+]2C[C@H]3CCC[C@@H]32)CCC1 575587044 352810276 /nfs/dbraw/zinc/81/02/76/352810276.db2.gz FXUNMGXTBBZNHI-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@H]1C[NH3+] 575587081 352810359 /nfs/dbraw/zinc/81/03/59/352810359.db2.gz GDZSAYZUTJNRCZ-XFWSIPNHSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H]2C[NH3+])[C@@H]1C 575587077 352810460 /nfs/dbraw/zinc/81/04/60/352810460.db2.gz GDZSAYZUTJNRCZ-DOLQZWNJSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@@H]1C[NH3+] 575587079 352810561 /nfs/dbraw/zinc/81/05/61/352810561.db2.gz GDZSAYZUTJNRCZ-UTINFBMNSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]2C[NH3+])[C@@H]1C 575587086 352810662 /nfs/dbraw/zinc/81/06/62/352810662.db2.gz GDZSAYZUTJNRCZ-ZYUZMQFOSA-N 2 1 168.284 1.064 10 0 ADAEMP [NH3+]C1(C[N@@H+]2CCC23CCC3)CC1 575587271 352811925 /nfs/dbraw/zinc/81/19/25/352811925.db2.gz IIIJLLKWZFHYOG-UHFFFAOYSA-N 2 1 166.268 1.106 10 0 ADAEMP [NH3+]C1(C[N@H+]2CCC23CCC3)CC1 575587271 352811929 /nfs/dbraw/zinc/81/19/29/352811929.db2.gz IIIJLLKWZFHYOG-UHFFFAOYSA-N 2 1 166.268 1.106 10 0 ADAEMP CC(C)([NH3+])C[N@@H+]1CCC12CCC2 575587288 352812021 /nfs/dbraw/zinc/81/20/21/352812021.db2.gz IKXYQKUTLGFBRI-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CCC12CCC2 575587288 352812022 /nfs/dbraw/zinc/81/20/22/352812022.db2.gz IKXYQKUTLGFBRI-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP CC1(C)CC[N@H+]1C1CC[NH2+]CC1 575587491 352812638 /nfs/dbraw/zinc/81/26/38/352812638.db2.gz IRMKWVWFQKFTFS-UHFFFAOYSA-N 2 1 168.284 1.223 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CCCC[C@H]21 575587484 352812723 /nfs/dbraw/zinc/81/27/23/352812723.db2.gz IPWDFEMGQKVVTI-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@@H]2CCCC[C@H]21 575587488 352812738 /nfs/dbraw/zinc/81/27/38/352812738.db2.gz IPWDFEMGQKVVTI-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@H]2CCCC[C@@H]21 575587489 352812753 /nfs/dbraw/zinc/81/27/53/352812753.db2.gz IPWDFEMGQKVVTI-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1C[C@@H]2CCCC[C@@H]21 575587487 352812845 /nfs/dbraw/zinc/81/28/45/352812845.db2.gz IPWDFEMGQKVVTI-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1C1CCC([NH3+])CC1 575587649 352813544 /nfs/dbraw/zinc/81/35/44/352813544.db2.gz KCXHGTXTLIRMBU-MFQSTILNSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1C[N@H+](C2CCC([NH3+])CC2)[C@H]1C 575587652 352813586 /nfs/dbraw/zinc/81/35/86/352813586.db2.gz KCXHGTXTLIRMBU-SAAXCQNUSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[N@H+](C2CCC([NH3+])CC2)[C@@H]1C 575587650 352813602 /nfs/dbraw/zinc/81/36/02/352813602.db2.gz KCXHGTXTLIRMBU-NKVNRFPTSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1C[N@H+](C2CCC([NH3+])CC2)[C@@H]1C 575587648 352813609 /nfs/dbraw/zinc/81/36/09/352813609.db2.gz KCXHGTXTLIRMBU-IZUQBHJASA-N 2 1 182.311 1.597 10 0 ADAEMP [NH3+][C@H]1CCC[C@@H]1[N@H+]1CCC12CCC2 575587976 352814789 /nfs/dbraw/zinc/81/47/89/352814789.db2.gz KRKQLIPPVWPSFW-UWVGGRQHSA-N 2 1 180.295 1.495 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[C@@H]1C[NH3+] 575587970 352814825 /nfs/dbraw/zinc/81/48/25/352814825.db2.gz KQDDOTMQBBCSGV-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 575587962 352814851 /nfs/dbraw/zinc/81/48/51/352814851.db2.gz KQDDOTMQBBCSGV-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[C@H]1C[NH3+] 575587965 352814865 /nfs/dbraw/zinc/81/48/65/352814865.db2.gz KQDDOTMQBBCSGV-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[C@H]1C[NH3+] 575587967 352814981 /nfs/dbraw/zinc/81/49/81/352814981.db2.gz KQDDOTMQBBCSGV-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+][C@@H]1CCC[C@H]1[N@H+]1CCC12CCC2 575587975 352815076 /nfs/dbraw/zinc/81/50/76/352815076.db2.gz KRKQLIPPVWPSFW-NXEZZACHSA-N 2 1 180.295 1.495 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1CCC12CCC2 575587978 352815092 /nfs/dbraw/zinc/81/50/92/352815092.db2.gz KRKQLIPPVWPSFW-ZJUUUORDSA-N 2 1 180.295 1.495 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[N@H+]1CCC12CCC2 575587977 352815104 /nfs/dbraw/zinc/81/51/04/352815104.db2.gz KRKQLIPPVWPSFW-VHSXEESVSA-N 2 1 180.295 1.495 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2C[NH3+])[C@@H]1C 575588105 352815827 /nfs/dbraw/zinc/81/58/27/352815827.db2.gz COTAWFLHDQFUOS-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H]1C[NH3+] 575588111 352815882 /nfs/dbraw/zinc/81/58/82/352815882.db2.gz COTAWFLHDQFUOS-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@]1(C[NH3+])C[C@@H](C)[C@H]1C 575588102 352815919 /nfs/dbraw/zinc/81/59/19/352815919.db2.gz CNDCFLQVKYUSIW-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@]1(C[NH3+])C[C@@H](C)[C@H]1C 575588102 352815921 /nfs/dbraw/zinc/81/59/21/352815921.db2.gz CNDCFLQVKYUSIW-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@@H]1C[NH3+] 575588109 352815949 /nfs/dbraw/zinc/81/59/49/352815949.db2.gz COTAWFLHDQFUOS-LMLFDSFASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1[C@H]1C=CCCC1 575588099 352815984 /nfs/dbraw/zinc/81/59/84/352815984.db2.gz HNZXTDMDYBCSMN-MXWKQRLJSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1C=CCCC1 575588099 352815986 /nfs/dbraw/zinc/81/59/86/352815986.db2.gz HNZXTDMDYBCSMN-MXWKQRLJSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1[C@H]1C=CCCC1 575588104 352816100 /nfs/dbraw/zinc/81/61/00/352816100.db2.gz HNZXTDMDYBCSMN-VWYCJHECSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1[C@H]1C=CCCC1 575588104 352816101 /nfs/dbraw/zinc/81/61/01/352816101.db2.gz HNZXTDMDYBCSMN-VWYCJHECSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@](C[NH3+])([N@@H+]2CC[C@H]2C)[C@@H]1C 575588100 352816154 /nfs/dbraw/zinc/81/61/54/352816154.db2.gz CNDCFLQVKYUSIW-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@](C[NH3+])([N@H+]2CC[C@H]2C)[C@@H]1C 575588100 352816156 /nfs/dbraw/zinc/81/61/56/352816156.db2.gz CNDCFLQVKYUSIW-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[C@]1(C[NH3+])[N@@H+]1CC[C@H]1C 575588098 352816180 /nfs/dbraw/zinc/81/61/80/352816180.db2.gz CNDCFLQVKYUSIW-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1[C@H](C)C[C@]1(C[NH3+])[N@H+]1CC[C@H]1C 575588098 352816181 /nfs/dbraw/zinc/81/61/81/352816181.db2.gz CNDCFLQVKYUSIW-CHWFTXMASA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@]1(C[NH3+])C[C@@H](C)[C@@H]1C 575588103 352816194 /nfs/dbraw/zinc/81/61/94/352816194.db2.gz CNDCFLQVKYUSIW-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@]1(C[NH3+])C[C@@H](C)[C@@H]1C 575588103 352816196 /nfs/dbraw/zinc/81/61/96/352816196.db2.gz CNDCFLQVKYUSIW-VPOLOUISSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1C 575588107 352816208 /nfs/dbraw/zinc/81/62/08/352816208.db2.gz COTAWFLHDQFUOS-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1[C@@H]1C=CCCC1 575588097 352816305 /nfs/dbraw/zinc/81/63/05/352816305.db2.gz HNZXTDMDYBCSMN-GMTAPVOTSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1[C@@H]1C=CCCC1 575588097 352816306 /nfs/dbraw/zinc/81/63/06/352816306.db2.gz HNZXTDMDYBCSMN-GMTAPVOTSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1[C@@H]1C=CCCC1 575588101 352816338 /nfs/dbraw/zinc/81/63/38/352816338.db2.gz HNZXTDMDYBCSMN-OUAUKWLOSA-N 2 1 180.295 1.517 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1[C@@H]1C=CCCC1 575588101 352816340 /nfs/dbraw/zinc/81/63/40/352816340.db2.gz HNZXTDMDYBCSMN-OUAUKWLOSA-N 2 1 180.295 1.517 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CCC12CCC2 575588280 352816835 /nfs/dbraw/zinc/81/68/35/352816835.db2.gz AGGHMZSHRVFTMN-UHFFFAOYSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[C@@H](C[NH3+])[N@@H+]1CCC1(C)C 575588250 352817100 /nfs/dbraw/zinc/81/71/00/352817100.db2.gz MIWCTZHLQFRHJO-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@H](C[NH3+])[N@H+]1CCC1(C)C 575588250 352817103 /nfs/dbraw/zinc/81/71/03/352817103.db2.gz MIWCTZHLQFRHJO-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1CCC1(C)C 575588248 352817179 /nfs/dbraw/zinc/81/71/79/352817179.db2.gz MIWCTZHLQFRHJO-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1CCC1(C)C 575588248 352817180 /nfs/dbraw/zinc/81/71/80/352817180.db2.gz MIWCTZHLQFRHJO-MRVPVSSYSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 575588585 352818343 /nfs/dbraw/zinc/81/83/43/352818343.db2.gz CCONTXFKRDTXAP-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 575588585 352818346 /nfs/dbraw/zinc/81/83/46/352818346.db2.gz CCONTXFKRDTXAP-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CCC[NH2+][C@@H]1C 575588581 352818383 /nfs/dbraw/zinc/81/83/83/352818383.db2.gz CCONTXFKRDTXAP-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[NH2+][C@@H]1C 575588581 352818386 /nfs/dbraw/zinc/81/83/86/352818386.db2.gz CCONTXFKRDTXAP-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1C[C@@H](C)[C@H]1C 575588589 352818462 /nfs/dbraw/zinc/81/84/62/352818462.db2.gz CCONTXFKRDTXAP-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1C[C@@H](C)[C@H]1C 575588589 352818464 /nfs/dbraw/zinc/81/84/64/352818464.db2.gz CCONTXFKRDTXAP-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1C[C@@H](C)[C@@H]1C 575588593 352818548 /nfs/dbraw/zinc/81/85/48/352818548.db2.gz CCONTXFKRDTXAP-VPOLOUISSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1C[C@@H](C)[C@@H]1C 575588593 352818551 /nfs/dbraw/zinc/81/85/51/352818551.db2.gz CCONTXFKRDTXAP-VPOLOUISSA-N 2 1 182.311 1.467 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CCC1(C)C 575588903 352820290 /nfs/dbraw/zinc/82/02/90/352820290.db2.gz MQHQHXPGXTULEP-UHFFFAOYSA-N 2 1 156.273 1.208 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1CC[C@@H]([NH3+])C1 575588983 352820336 /nfs/dbraw/zinc/82/03/36/352820336.db2.gz FOAWNPJTBNHPLW-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 575588995 352820446 /nfs/dbraw/zinc/82/04/46/352820446.db2.gz FOAWNPJTBNHPLW-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1CC[C@@H]([NH3+])C1 575588994 352820568 /nfs/dbraw/zinc/82/05/68/352820568.db2.gz FOAWNPJTBNHPLW-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CC[N@H+]1C[C@H]1CC[C@H]([NH3+])C1 575588992 352820619 /nfs/dbraw/zinc/82/06/19/352820619.db2.gz FOAWNPJTBNHPLW-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@](C)(C[NH3+])[N@H+]1CC[C@H]1C 575589117 352821108 /nfs/dbraw/zinc/82/11/08/352821108.db2.gz GUSRREDNEMGSDK-RKDXNWHRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1C[NH2+]CC[C@H]1C 575589190 352821152 /nfs/dbraw/zinc/82/11/52/352821152.db2.gz CKOJRGKSNFWMLY-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1C[N@@H+]1CC[C@H]1C 575589189 352821184 /nfs/dbraw/zinc/82/11/84/352821184.db2.gz CKOJRGKSNFWMLY-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1C(C)(C)C[NH3+] 575589086 352821371 /nfs/dbraw/zinc/82/13/71/352821371.db2.gz OKCOQKLZVXMXFZ-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@H+](C(C)(C)C[NH3+])[C@@H]1C 575589082 352821411 /nfs/dbraw/zinc/82/14/11/352821411.db2.gz OKCOQKLZVXMXFZ-HTQZYQBOSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@](C)(C[NH3+])[N@H+]1CC[C@@H]1C 575589115 352821451 /nfs/dbraw/zinc/82/14/51/352821451.db2.gz GUSRREDNEMGSDK-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[C@@](C)(C[NH3+])[N@H+]1CC[C@@H]1C 575589116 352821483 /nfs/dbraw/zinc/82/14/83/352821483.db2.gz GUSRREDNEMGSDK-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]1C[N@H+](C(C)(C)C[NH3+])[C@@H]1C 575589083 352821526 /nfs/dbraw/zinc/82/15/26/352821526.db2.gz OKCOQKLZVXMXFZ-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1C[N@@H+]1CC[C@H]1C 575589188 352821536 /nfs/dbraw/zinc/82/15/36/352821536.db2.gz CKOJRGKSNFWMLY-GMTAPVOTSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1C[NH2+]CC[C@H]1C 575589191 352821590 /nfs/dbraw/zinc/82/15/90/352821590.db2.gz CKOJRGKSNFWMLY-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP CC[C@@](C)(C[NH3+])[N@H+]1CC[C@H]1C 575589112 352821600 /nfs/dbraw/zinc/82/16/00/352821600.db2.gz GUSRREDNEMGSDK-BDAKNGLRSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]1C[N@H+](C(C)(C)C[NH3+])[C@H]1C 575589087 352821642 /nfs/dbraw/zinc/82/16/42/352821642.db2.gz OKCOQKLZVXMXFZ-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@H](C)C1CC[NH2+]CC1 575589217 352822261 /nfs/dbraw/zinc/82/22/61/352822261.db2.gz CNTMAMMKYOIIQV-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@H](C)C1CC[NH2+]CC1 575589216 352822411 /nfs/dbraw/zinc/82/24/11/352822411.db2.gz CNTMAMMKYOIIQV-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@H](C)C1CC[NH2+]CC1 575589218 352822449 /nfs/dbraw/zinc/82/24/49/352822449.db2.gz CNTMAMMKYOIIQV-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H](C1CC[NH2+]CC1)[N@H+]1CC[C@H]1C 575589224 352822475 /nfs/dbraw/zinc/82/24/75/352822475.db2.gz CNTMAMMKYOIIQV-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[NH2+]CC1 575589847 352824265 /nfs/dbraw/zinc/82/42/65/352824265.db2.gz HJZPERSRRZQYFD-SNVBAGLBSA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[NH2+]CC1 575589841 352824865 /nfs/dbraw/zinc/82/48/65/352824865.db2.gz HJZPERSRRZQYFD-JTQLQIEISA-N 2 1 182.311 1.613 10 0 ADAEMP CC1(C)CC[N@H+]1CC1CC([NH3+])C1 575589992 352825226 /nfs/dbraw/zinc/82/52/26/352825226.db2.gz JEJZPGZDZKMLOD-UHFFFAOYSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@@H+]2CC[C@@H]2C)C1 575589924 352825312 /nfs/dbraw/zinc/82/53/12/352825312.db2.gz IBHYYJIXZABOKG-KYHHOPLUSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@H+]2CC[C@@H]2C)C1 575589924 352825314 /nfs/dbraw/zinc/82/53/14/352825314.db2.gz IBHYYJIXZABOKG-KYHHOPLUSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@@H+]2CC[C@H]2C)C1 575589923 352825504 /nfs/dbraw/zinc/82/55/04/352825504.db2.gz IBHYYJIXZABOKG-HWOCKDDLSA-N 2 1 168.284 1.208 10 0 ADAEMP CC1CC(C[NH3+])([N@H+]2CC[C@H]2C)C1 575589923 352825507 /nfs/dbraw/zinc/82/55/07/352825507.db2.gz 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LKGFRIZBFAPCRX-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CCC1(C)C 575590721 352828699 /nfs/dbraw/zinc/82/86/99/352828699.db2.gz LKGFRIZBFAPCRX-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1C 575590650 352828760 /nfs/dbraw/zinc/82/87/60/352828760.db2.gz KDXFISULDLPTOJ-GWOFURMSSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@]1(C[NH3+])CCC1(C)C 575590722 352828873 /nfs/dbraw/zinc/82/88/73/352828873.db2.gz LKGFRIZBFAPCRX-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@]1(C[NH3+])CCC1(C)C 575590722 352828875 /nfs/dbraw/zinc/82/88/75/352828875.db2.gz LKGFRIZBFAPCRX-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 575590649 352828911 /nfs/dbraw/zinc/82/89/11/352828911.db2.gz KDXFISULDLPTOJ-DBIOUOCHSA-N 2 1 182.311 1.454 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CCC1(C)C 575590719 352829159 /nfs/dbraw/zinc/82/91/59/352829159.db2.gz LKGFRIZBFAPCRX-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CCC1(C)C 575590719 352829164 /nfs/dbraw/zinc/82/91/64/352829164.db2.gz LKGFRIZBFAPCRX-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 575590652 352829226 /nfs/dbraw/zinc/82/92/26/352829226.db2.gz KDXFISULDLPTOJ-YTWAJWBKSA-N 2 1 182.311 1.454 10 0 ADAEMP CC1(C)CC[N@H+]1C1(C[NH3+])CCCC1 575591125 352830356 /nfs/dbraw/zinc/83/03/56/352830356.db2.gz WMHDAQYDSVETHN-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2C[C@H](C)[C@H]2C)C1 575591045 352830437 /nfs/dbraw/zinc/83/04/37/352830437.db2.gz JOHUNPDDTNDSER-UKKRHICBSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2C[C@H](C)[C@H]2C)C1 575591045 352830441 /nfs/dbraw/zinc/83/04/41/352830441.db2.gz JOHUNPDDTNDSER-UKKRHICBSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2C[C@@H](C)[C@H]2C)C1 575591043 352830641 /nfs/dbraw/zinc/83/06/41/352830641.db2.gz JOHUNPDDTNDSER-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2C[C@@H](C)[C@H]2C)C1 575591043 352830643 /nfs/dbraw/zinc/83/06/43/352830643.db2.gz JOHUNPDDTNDSER-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2C[C@H](C)[C@@H]2C)C1 575591046 352830672 /nfs/dbraw/zinc/83/06/72/352830672.db2.gz JOHUNPDDTNDSER-XWLWVQCSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2C[C@H](C)[C@@H]2C)C1 575591046 352830676 /nfs/dbraw/zinc/83/06/76/352830676.db2.gz JOHUNPDDTNDSER-XWLWVQCSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2C[C@@H](C)[C@@H]2C)C1 575591047 352830843 /nfs/dbraw/zinc/83/08/43/352830843.db2.gz JOHUNPDDTNDSER-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2C[C@@H](C)[C@@H]2C)C1 575591047 352830846 /nfs/dbraw/zinc/83/08/46/352830846.db2.gz JOHUNPDDTNDSER-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@@H]21 575591402 352831770 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XJZDGQBEZRQAGR-QMMMGPOBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1=CC[C@@H]([NH3+])C1 575591347 352832053 /nfs/dbraw/zinc/83/20/53/352832053.db2.gz KKAHSNBGINAEBF-PSASIEDQSA-N 2 1 166.268 1.128 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1CCC12CCCCC2 575591344 352832120 /nfs/dbraw/zinc/83/21/20/352832120.db2.gz XRPICJYSZKJRBQ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1CCC12CCCCC2 575591344 352832125 /nfs/dbraw/zinc/83/21/25/352832125.db2.gz XRPICJYSZKJRBQ-JTQLQIEISA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCC[C@@H]21 575591398 352832150 /nfs/dbraw/zinc/83/21/50/352832150.db2.gz YDLUAEANWSQMTP-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCC[C@@H]21 575591398 352832151 /nfs/dbraw/zinc/83/21/51/352832151.db2.gz YDLUAEANWSQMTP-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)[C@@H]1CC[NH2+]C1 575591320 352832190 /nfs/dbraw/zinc/83/21/90/352832190.db2.gz KIFXBDUZNTXMNG-LMLFDSFASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCC[C@H]21 575591399 352832209 /nfs/dbraw/zinc/83/22/09/352832209.db2.gz YDLUAEANWSQMTP-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCC[C@H]21 575591399 352832213 /nfs/dbraw/zinc/83/22/13/352832213.db2.gz YDLUAEANWSQMTP-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1CCC12CCCCC2 575591346 352832224 /nfs/dbraw/zinc/83/22/24/352832224.db2.gz XRPICJYSZKJRBQ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1CCC12CCCCC2 575591346 352832228 /nfs/dbraw/zinc/83/22/28/352832228.db2.gz XRPICJYSZKJRBQ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP [NH3+]C1(C[N@@H+]2CCC23CCC3)CCC1 575591375 352832321 /nfs/dbraw/zinc/83/23/21/352832321.db2.gz XYVXHRLGNRGCLD-UHFFFAOYSA-N 2 1 180.295 1.496 10 0 ADAEMP [NH3+]C1(C[N@H+]2CCC23CCC3)CCC1 575591375 352832323 /nfs/dbraw/zinc/83/23/23/352832323.db2.gz XYVXHRLGNRGCLD-UHFFFAOYSA-N 2 1 180.295 1.496 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)[C@H]1CC[NH2+]C1 575591321 352832340 /nfs/dbraw/zinc/83/23/40/352832340.db2.gz KIFXBDUZNTXMNG-YTWAJWBKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[N@@H+]1CCC1(C)C 575591403 352832365 /nfs/dbraw/zinc/83/23/65/352832365.db2.gz YEBPCZVTLQFHHS-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[N@H+]1CCC1(C)C 575591403 352832366 /nfs/dbraw/zinc/83/23/66/352832366.db2.gz YEBPCZVTLQFHHS-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)[C@@H]2CC[NH2+]C2)[C@@H]1C 575591319 352832377 /nfs/dbraw/zinc/83/23/77/352832377.db2.gz KIFXBDUZNTXMNG-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCC[C@H]21 575591401 352832412 /nfs/dbraw/zinc/83/24/12/352832412.db2.gz YDLUAEANWSQMTP-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCC[C@H]21 575591401 352832413 /nfs/dbraw/zinc/83/24/13/352832413.db2.gz YDLUAEANWSQMTP-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CC[C@@H]1C 575591536 352832778 /nfs/dbraw/zinc/83/27/78/352832778.db2.gz LBXVQJBCFOZWGV-CIUDSAMLSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)C[N@H+]1CC[C@H]1C 575591539 352832850 /nfs/dbraw/zinc/83/28/50/352832850.db2.gz LBXVQJBCFOZWGV-YIZRAAEISA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CC[C@@H]1C 575591538 352832985 /nfs/dbraw/zinc/83/29/85/352832985.db2.gz LBXVQJBCFOZWGV-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)C[N@H+]1CC[C@H]1C 575591537 352833098 /nfs/dbraw/zinc/83/30/98/352833098.db2.gz LBXVQJBCFOZWGV-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H]2C)C[NH2+]1 575591828 352833706 /nfs/dbraw/zinc/83/37/06/352833706.db2.gz LYIPEFHDNMMOMH-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]2C)C[NH2+]1 575591831 352833946 /nfs/dbraw/zinc/83/39/46/352833946.db2.gz LYIPEFHDNMMOMH-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1C[N@@H+]1CC[C@H]1C 575591887 352834232 /nfs/dbraw/zinc/83/42/32/352834232.db2.gz MQEGNXVFETYMII-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H]1C 575591946 352834276 /nfs/dbraw/zinc/83/42/76/352834276.db2.gz NEVZWUPPVZXBQZ-ZYUZMQFOSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1C[N@@H+]1CC[C@H]1C 575591889 352834315 /nfs/dbraw/zinc/83/43/15/352834315.db2.gz MQEGNXVFETYMII-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+]CC1([N@@H+]2CCC23CCC3)CC1 575591929 352834370 /nfs/dbraw/zinc/83/43/70/352834370.db2.gz ZTMITACHJMJSAA-UHFFFAOYSA-N 2 1 166.268 1.106 10 0 ADAEMP [NH3+]CC1([N@H+]2CCC23CCC3)CC1 575591929 352834374 /nfs/dbraw/zinc/83/43/74/352834374.db2.gz ZTMITACHJMJSAA-UHFFFAOYSA-N 2 1 166.268 1.106 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1C[C@H]([NH3+])C1(C)C 575591944 352834412 /nfs/dbraw/zinc/83/44/12/352834412.db2.gz NEVZWUPPVZXBQZ-XFWSIPNHSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1CC[C@@H](C)[NH2+]C1 575591835 352834437 /nfs/dbraw/zinc/83/44/37/352834437.db2.gz LYIPEFHDNMMOMH-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H]1C 575591941 352834452 /nfs/dbraw/zinc/83/44/52/352834452.db2.gz NEVZWUPPVZXBQZ-DOLQZWNJSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1C[N@@H+]1CC[C@@H]1C 575591883 352834491 /nfs/dbraw/zinc/83/44/91/352834491.db2.gz MQEGNXVFETYMII-DCAQKATOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1C[N@@H+]1CC[C@@H]1C 575591886 352834630 /nfs/dbraw/zinc/83/46/30/352834630.db2.gz MQEGNXVFETYMII-GARJFASQSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1CC[C@@H](C)[NH2+]C1 575591833 352834731 /nfs/dbraw/zinc/83/47/31/352834731.db2.gz LYIPEFHDNMMOMH-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1C[C@@H]([NH3+])C1(C)C 575591943 352834899 /nfs/dbraw/zinc/83/48/99/352834899.db2.gz NEVZWUPPVZXBQZ-UTINFBMNSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)[C@H]1C 575592230 352835962 /nfs/dbraw/zinc/83/59/62/352835962.db2.gz PGKSEEUYXWBSCJ-ZRUFSTJUSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@H]([NH3+])C1 575592192 352836010 /nfs/dbraw/zinc/83/60/10/352836010.db2.gz PAASUERLUKLRMA-XFWSIPNHSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 575592189 352836020 /nfs/dbraw/zinc/83/60/20/352836020.db2.gz PAASUERLUKLRMA-DOLQZWNJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]([NH3+])C2)[C@@H]1C 575592193 352836052 /nfs/dbraw/zinc/83/60/52/352836052.db2.gz PAASUERLUKLRMA-ZYUZMQFOSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)[C@@H]1C 575592228 352836148 /nfs/dbraw/zinc/83/61/48/352836148.db2.gz PGKSEEUYXWBSCJ-LNFKQOIKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[C@@H]([NH3+])C1 575592190 352836191 /nfs/dbraw/zinc/83/61/91/352836191.db2.gz PAASUERLUKLRMA-UTINFBMNSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[NH2+][C@H](C)C1 575592223 352836208 /nfs/dbraw/zinc/83/62/08/352836208.db2.gz PGKSEEUYXWBSCJ-CHWFTXMASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1C[C@@H](C)[C@@H]1C 575592240 352836227 /nfs/dbraw/zinc/83/62/27/352836227.db2.gz SMGKTDQSGWYYCV-VGMNWLOBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC1(C)CC[N@H+]1C1CCC([NH3+])CC1 575592134 352836263 /nfs/dbraw/zinc/83/62/63/352836263.db2.gz RXRLZFWZZPVXQF-UHFFFAOYSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC1(C)C 575592186 352836448 /nfs/dbraw/zinc/83/64/48/352836448.db2.gz SLVAVPTWNQMXJQ-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC1(C)C 575592186 352836451 /nfs/dbraw/zinc/83/64/51/352836451.db2.gz SLVAVPTWNQMXJQ-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@H]2C)CC[NH2+]1 575592225 352836532 /nfs/dbraw/zinc/83/65/32/352836532.db2.gz PGKSEEUYXWBSCJ-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1C[C@@H](C)[C@H]1C 575592231 352836552 /nfs/dbraw/zinc/83/65/52/352836552.db2.gz SMGKTDQSGWYYCV-HRDYMLBCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)CC[NH3+])[C@@H]1C 575592236 352836605 /nfs/dbraw/zinc/83/66/05/352836605.db2.gz SMGKTDQSGWYYCV-IWSPIJDZSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)CC[NH3+] 575592224 352836628 /nfs/dbraw/zinc/83/66/28/352836628.db2.gz SMGKTDQSGWYYCV-HLTSFMKQSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC1(C)C 575592185 352836713 /nfs/dbraw/zinc/83/67/13/352836713.db2.gz SLVAVPTWNQMXJQ-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC1(C)C 575592185 352836714 /nfs/dbraw/zinc/83/67/14/352836714.db2.gz SLVAVPTWNQMXJQ-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]([C@H]1CCC[NH2+]1)[N@@H+]1CCC1(C)C 575592191 352836764 /nfs/dbraw/zinc/83/67/64/352836764.db2.gz SLVAVPTWNQMXJQ-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]([C@H]1CCC[NH2+]1)[N@H+]1CCC1(C)C 575592191 352836767 /nfs/dbraw/zinc/83/67/67/352836767.db2.gz SLVAVPTWNQMXJQ-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@@H+]1CCC1(C)C 575592195 352836789 /nfs/dbraw/zinc/83/67/89/352836789.db2.gz SLVAVPTWNQMXJQ-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]([C@@H]1CCC[NH2+]1)[N@H+]1CCC1(C)C 575592195 352836791 /nfs/dbraw/zinc/83/67/91/352836791.db2.gz SLVAVPTWNQMXJQ-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)[C@H]1C 575592296 352837159 /nfs/dbraw/zinc/83/71/59/352837159.db2.gz SVGNNDLUJKEJDJ-IUCAKERBSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1C1CC[NH2+]CC1 575592291 352837175 /nfs/dbraw/zinc/83/71/75/352837175.db2.gz SVGNNDLUJKEJDJ-BDAKNGLRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1C[N@H+](C2CC[NH2+]CC2)[C@@H]1C 575592300 352837220 /nfs/dbraw/zinc/83/72/20/352837220.db2.gz SVGNNDLUJKEJDJ-RKDXNWHRSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[N@H+](C2CC[NH2+]CC2)[C@@H]1C 575592293 352837436 /nfs/dbraw/zinc/83/74/36/352837436.db2.gz SVGNNDLUJKEJDJ-DTWKUNHWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H]2CCCC[C@H]21 575592425 352837957 /nfs/dbraw/zinc/83/79/57/352837957.db2.gz RWROPPFBJXGIGJ-XWLWVQCSSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCC[C@H]1[NH3+] 575592474 352838136 /nfs/dbraw/zinc/83/81/36/352838136.db2.gz TXGIZLQEPZPMMW-KXUCPTDWSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C[C@H]2C)[C@@H]1C 575592480 352838150 /nfs/dbraw/zinc/83/81/50/352838150.db2.gz UADWTILNTNVPHA-GWOFURMSSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H]2CCCC[C@@H]21 575592422 352838172 /nfs/dbraw/zinc/83/81/72/352838172.db2.gz RWROPPFBJXGIGJ-MMWGEVLESA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 575592423 352838186 /nfs/dbraw/zinc/83/81/86/352838186.db2.gz RWROPPFBJXGIGJ-NAKRPEOUSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCC[C@@H]1[NH3+] 575592472 352838233 /nfs/dbraw/zinc/83/82/33/352838233.db2.gz TXGIZLQEPZPMMW-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H]2CCCC[C@H]21 575592424 352838285 /nfs/dbraw/zinc/83/82/85/352838285.db2.gz RWROPPFBJXGIGJ-UKKRHICBSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CC[NH2+]C[C@H]1C 575592479 352838335 /nfs/dbraw/zinc/83/83/35/352838335.db2.gz UADWTILNTNVPHA-CHWFTXMASA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 575592476 352838406 /nfs/dbraw/zinc/83/84/06/352838406.db2.gz TXGIZLQEPZPMMW-UTLUCORTSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1CCC[C@@H]1[NH3+] 575592473 352838433 /nfs/dbraw/zinc/83/84/33/352838433.db2.gz TXGIZLQEPZPMMW-GUBZILKMSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCC[C@H]1[NH3+] 575592475 352838509 /nfs/dbraw/zinc/83/85/09/352838509.db2.gz TXGIZLQEPZPMMW-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CCC[C@]1(C[NH3+])[N@@H+]1CC[C@H]1C 575592593 352838902 /nfs/dbraw/zinc/83/89/02/352838902.db2.gz XJIYVJXPPWAAHT-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@]1(C[NH3+])[N@H+]1CC[C@H]1C 575592593 352838899 /nfs/dbraw/zinc/83/88/99/352838899.db2.gz XJIYVJXPPWAAHT-HBNTYKKESA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@@](C[NH3+])([N@@H+]2CC[C@H]2C)C1 575592549 352838932 /nfs/dbraw/zinc/83/89/32/352838932.db2.gz WAWCJEBJBDIHFQ-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[C@](C[NH3+])([N@@H+]2CC[C@H]2C)C1 575592550 352839041 /nfs/dbraw/zinc/83/90/41/352839041.db2.gz WAWCJEBJBDIHFQ-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[N@H+]1CC[C@H]1C 575592583 352839067 /nfs/dbraw/zinc/83/90/67/352839067.db2.gz WTOYEYFNPUDJTB-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[C@]1(C[NH3+])[N@@H+]1CC[C@H]1C 575592583 352839070 /nfs/dbraw/zinc/83/90/70/352839070.db2.gz WTOYEYFNPUDJTB-IVZWLZJFSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CCC[C@@]1(C[NH3+])[N@H+]1CC[C@H]1C 575592591 352839084 /nfs/dbraw/zinc/83/90/84/352839084.db2.gz XJIYVJXPPWAAHT-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCC[C@@]1(C[NH3+])[N@@H+]1CC[C@H]1C 575592591 352839088 /nfs/dbraw/zinc/83/90/88/352839088.db2.gz XJIYVJXPPWAAHT-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@]1(C[NH3+])CC[C@@H](C)C1 575592552 352839121 /nfs/dbraw/zinc/83/91/21/352839121.db2.gz WAWCJEBJBDIHFQ-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CCC[C@H]1C 575592592 352839160 /nfs/dbraw/zinc/83/91/60/352839160.db2.gz XJIYVJXPPWAAHT-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CCC[C@H]1C 575592592 352839161 /nfs/dbraw/zinc/83/91/61/352839161.db2.gz XJIYVJXPPWAAHT-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CC[C@H]1C 575592582 352839177 /nfs/dbraw/zinc/83/91/77/352839177.db2.gz WTOYEYFNPUDJTB-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CC[C@H]1C 575592582 352839178 /nfs/dbraw/zinc/83/91/78/352839178.db2.gz WTOYEYFNPUDJTB-BBBLOLIVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C 575592540 352839254 /nfs/dbraw/zinc/83/92/54/352839254.db2.gz VSCPHJSQRSELPV-NXEZZACHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H]1C 575592541 352839290 /nfs/dbraw/zinc/83/92/90/352839290.db2.gz VSCPHJSQRSELPV-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@@]1(C[NH3+])CC[C@H]1C 575592584 352839324 /nfs/dbraw/zinc/83/93/24/352839324.db2.gz WTOYEYFNPUDJTB-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@]1(C[NH3+])CC[C@H]1C 575592584 352839326 /nfs/dbraw/zinc/83/93/26/352839326.db2.gz WTOYEYFNPUDJTB-OPRDCNLKSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC1CC[NH2+]CC1 575592544 352839348 /nfs/dbraw/zinc/83/93/48/352839348.db2.gz VSCPHJSQRSELPV-ZJUUUORDSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1CC[C@@]1(C[NH3+])[N@H+]1CC[C@H]1C 575592581 352839358 /nfs/dbraw/zinc/83/93/58/352839358.db2.gz WTOYEYFNPUDJTB-AEJSXWLSSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H]1CC[C@@]1(C[NH3+])[N@@H+]1CC[C@H]1C 575592581 352839360 /nfs/dbraw/zinc/83/93/60/352839360.db2.gz WTOYEYFNPUDJTB-AEJSXWLSSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CCC[C@H]1C 575592594 352839383 /nfs/dbraw/zinc/83/93/83/352839383.db2.gz XJIYVJXPPWAAHT-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CCC[C@H]1C 575592594 352839385 /nfs/dbraw/zinc/83/93/85/352839385.db2.gz XJIYVJXPPWAAHT-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@]1(C[NH3+])CC[C@@H](C)C1 575592551 352839395 /nfs/dbraw/zinc/83/93/95/352839395.db2.gz WAWCJEBJBDIHFQ-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C 575592542 352839460 /nfs/dbraw/zinc/83/94/60/352839460.db2.gz VSCPHJSQRSELPV-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H]1C 575592985 352839817 /nfs/dbraw/zinc/83/98/17/352839817.db2.gz ULJUDRMJJGFGPP-LPEHRKFASA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1C[C@@H](C)[C@@H]1C 575592933 352839845 /nfs/dbraw/zinc/83/98/45/352839845.db2.gz UADWTILNTNVPHA-ZRUFSTJUSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CC[C@H]1C 575592986 352839953 /nfs/dbraw/zinc/83/99/53/352839953.db2.gz ULJUDRMJJGFGPP-UTLUCORTSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CC[C@H]2C[C@H]21 575592960 352840182 /nfs/dbraw/zinc/84/01/82/352840182.db2.gz ZFXDVWQGQYEMFI-YTWAJWBKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CC[C@H]2C[C@H]21 575592960 352840184 /nfs/dbraw/zinc/84/01/84/352840184.db2.gz ZFXDVWQGQYEMFI-YTWAJWBKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H]1C[N@@H+]1CC[C@H]1C 575592983 352840259 /nfs/dbraw/zinc/84/02/59/352840259.db2.gz ULJUDRMJJGFGPP-KXUCPTDWSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@H]1C[N@@H+]1CC[C@@H]1C 575592981 352840301 /nfs/dbraw/zinc/84/03/01/352840301.db2.gz ULJUDRMJJGFGPP-GUBZILKMSA-N 2 1 168.284 1.079 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1C[C@@H](C)[C@H]1C 575592930 352840334 /nfs/dbraw/zinc/84/03/34/352840334.db2.gz UADWTILNTNVPHA-LNFKQOIKSA-N 2 1 182.311 1.325 10 0 ADAEMP C[C@@H]1CC[N@@H+]1[C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 575592962 352840399 /nfs/dbraw/zinc/84/03/99/352840399.db2.gz ZFXDVWQGQYEMFI-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@]1(C[NH3+])CC[C@@H]2C[C@@H]21 575592962 352840401 /nfs/dbraw/zinc/84/04/01/352840401.db2.gz ZFXDVWQGQYEMFI-ZNSHCXBVSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@H]([NH3+])C1 575593074 352840603 /nfs/dbraw/zinc/84/06/03/352840603.db2.gz VUTHYVSVDKPLMZ-VPOLOUISSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H](C[N@@H+]2CC[C@H]2C)C1 575593044 352840630 /nfs/dbraw/zinc/84/06/30/352840630.db2.gz VJRUVRNAWQOTRZ-HBNTYKKESA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1C 575593071 352840671 /nfs/dbraw/zinc/84/06/71/352840671.db2.gz VUTHYVSVDKPLMZ-CHWFTXMASA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@H](C)[C@@H]1C 575593023 352840704 /nfs/dbraw/zinc/84/07/04/352840704.db2.gz ZURPEOOJVVKMBL-XHNCKOQMSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@H](C)[C@@H]1C 575593023 352840705 /nfs/dbraw/zinc/84/07/05/352840705.db2.gz ZURPEOOJVVKMBL-XHNCKOQMSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1C 575593028 352840766 /nfs/dbraw/zinc/84/07/66/352840766.db2.gz VBQDNDIFLGAQIJ-XAVMHZPKSA-N 2 1 156.273 1.062 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H](C)[C@H]1C 575593028 352840771 /nfs/dbraw/zinc/84/07/71/352840771.db2.gz VBQDNDIFLGAQIJ-XAVMHZPKSA-N 2 1 156.273 1.062 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@@H](C)[C@@H]1C 575593020 352840816 /nfs/dbraw/zinc/84/08/16/352840816.db2.gz ZURPEOOJVVKMBL-HRDYMLBCSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@@H](C)[C@@H]1C 575593020 352840820 /nfs/dbraw/zinc/84/08/20/352840820.db2.gz ZURPEOOJVVKMBL-HRDYMLBCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1C 575593026 352840897 /nfs/dbraw/zinc/84/08/97/352840897.db2.gz VBQDNDIFLGAQIJ-JBDRJPRFSA-N 2 1 156.273 1.062 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)[C@@H]1C 575593026 352840902 /nfs/dbraw/zinc/84/09/02/352840902.db2.gz VBQDNDIFLGAQIJ-JBDRJPRFSA-N 2 1 156.273 1.062 10 0 ADAEMP CC(C[N@@H+]1CC[C@@H]1C)=C1C[NH2+]C1 575593031 352840983 /nfs/dbraw/zinc/84/09/83/352840983.db2.gz VCFAEQHNBBCDLE-VIFPVBQESA-N 2 1 166.268 1.000 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1C 575593029 352841014 /nfs/dbraw/zinc/84/10/14/352841014.db2.gz VBQDNDIFLGAQIJ-XGEHTFHBSA-N 2 1 156.273 1.062 10 0 ADAEMP CC(C[N@@H+]1CC[C@H]1C)=C1C[NH2+]C1 575593030 352841047 /nfs/dbraw/zinc/84/10/47/352841047.db2.gz VCFAEQHNBBCDLE-SECBINFHSA-N 2 1 166.268 1.000 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H](C[N@@H+]2CC[C@@H]2C)C1 575593043 352841088 /nfs/dbraw/zinc/84/10/88/352841088.db2.gz VJRUVRNAWQOTRZ-GARJFASQSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[C@@H]([NH3+])C1 575593073 352841100 /nfs/dbraw/zinc/84/11/00/352841100.db2.gz VUTHYVSVDKPLMZ-LMLFDSFASA-N 2 1 182.311 1.597 10 0 ADAEMP CC1CC([N@H+]2C[C@H](N)C[C@H]2C)C1 575593126 352841105 /nfs/dbraw/zinc/84/11/05/352841105.db2.gz XAEBDIFLNINYFF-DSAQSWLYSA-N 2 1 168.284 1.206 10 0 ADAEMP CC1CC([N@H+]2C[C@H]([NH3+])C[C@H]2C)C1 575593126 352841111 /nfs/dbraw/zinc/84/11/11/352841111.db2.gz XAEBDIFLNINYFF-DSAQSWLYSA-N 2 1 168.284 1.206 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@H](C)[C@H]1C 575593018 352841142 /nfs/dbraw/zinc/84/11/42/352841142.db2.gz ZURPEOOJVVKMBL-DJLDLDEBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@H](C)[C@H]1C 575593018 352841146 /nfs/dbraw/zinc/84/11/46/352841146.db2.gz ZURPEOOJVVKMBL-DJLDLDEBSA-N 2 1 156.273 1.064 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H](C[N@@H+]2CC[C@H]2C)C1 575593041 352841186 /nfs/dbraw/zinc/84/11/86/352841186.db2.gz VJRUVRNAWQOTRZ-AXFHLTTASA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H](C[N@@H+]2CC[C@@H]2C)C1 575593042 352841211 /nfs/dbraw/zinc/84/12/11/352841211.db2.gz VJRUVRNAWQOTRZ-DCAQKATOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@@H+]1C[C@H](C)[C@H]1C 575593027 352841242 /nfs/dbraw/zinc/84/12/42/352841242.db2.gz VBQDNDIFLGAQIJ-MAUMQABQSA-N 2 1 156.273 1.062 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H](C)[C@H]1C 575593027 352841246 /nfs/dbraw/zinc/84/12/46/352841246.db2.gz VBQDNDIFLGAQIJ-MAUMQABQSA-N 2 1 156.273 1.062 10 0 ADAEMP CC1CC([N@H+]2C[C@@H](N)C[C@@H]2C)C1 575593128 352841293 /nfs/dbraw/zinc/84/12/93/352841293.db2.gz XAEBDIFLNINYFF-ZNHWEVIXSA-N 2 1 168.284 1.206 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]([NH3+])C[C@@H]2C)C1 575593128 352841297 /nfs/dbraw/zinc/84/12/97/352841297.db2.gz XAEBDIFLNINYFF-ZNHWEVIXSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1C 575593072 352841352 /nfs/dbraw/zinc/84/13/52/352841352.db2.gz VUTHYVSVDKPLMZ-GWOFURMSSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H](C[NH3+])[N@@H+]1C[C@@H](C)[C@H]1C 575593021 352841374 /nfs/dbraw/zinc/84/13/74/352841374.db2.gz ZURPEOOJVVKMBL-IWSPIJDZSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@H](C[NH3+])[N@H+]1C[C@@H](C)[C@H]1C 575593021 352841377 /nfs/dbraw/zinc/84/13/77/352841377.db2.gz ZURPEOOJVVKMBL-IWSPIJDZSA-N 2 1 156.273 1.064 10 0 ADAEMP CC1CC([N@H+]2C[C@H](N)C[C@@H]2C)C1 575593125 352841390 /nfs/dbraw/zinc/84/13/90/352841390.db2.gz XAEBDIFLNINYFF-APTHBXDWSA-N 2 1 168.284 1.206 10 0 ADAEMP CC1CC([N@H+]2C[C@H]([NH3+])C[C@@H]2C)C1 575593125 352841395 /nfs/dbraw/zinc/84/13/95/352841395.db2.gz XAEBDIFLNINYFF-APTHBXDWSA-N 2 1 168.284 1.206 10 0 ADAEMP CC1CC([N@H+]2C[C@@H](N)C[C@H]2C)C1 575593127 352841406 /nfs/dbraw/zinc/84/14/06/352841406.db2.gz XAEBDIFLNINYFF-MXAZLMSGSA-N 2 1 168.284 1.206 10 0 ADAEMP CC1CC([N@H+]2C[C@@H]([NH3+])C[C@H]2C)C1 575593127 352841411 /nfs/dbraw/zinc/84/14/11/352841411.db2.gz XAEBDIFLNINYFF-MXAZLMSGSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 575593223 352841720 /nfs/dbraw/zinc/84/17/20/352841720.db2.gz YXQQAQUGEKPFGE-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@H+]1[C@H]1CC[C@H]1C 575593189 352841791 /nfs/dbraw/zinc/84/17/91/352841791.db2.gz YJPZHNQCHMPTAT-KATARQTJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1[C@H]1CC[C@H]1C 575593189 352841793 /nfs/dbraw/zinc/84/17/93/352841793.db2.gz YJPZHNQCHMPTAT-KATARQTJSA-N 2 1 168.284 1.206 10 0 ADAEMP [NH3+]C1CC([N@H+]2C[C@H]3CCCC[C@H]32)C1 575593280 352841827 /nfs/dbraw/zinc/84/18/27/352841827.db2.gz ZWZHZFTXUNAJIG-AGVGLQIMSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@H]1CC[NH2+]C(C)(C)C1 575593225 352841887 /nfs/dbraw/zinc/84/18/87/352841887.db2.gz YXQQAQUGEKPFGE-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2C[C@H]([NH3+])C[C@@H]2C)C[C@H]1C 575593219 352841970 /nfs/dbraw/zinc/84/19/70/352841970.db2.gz YXMZYQKLPUETIG-KJPMQGKISA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2C[C@H]([NH3+])C[C@@H]2C)C[C@H]1C 575593219 352841973 /nfs/dbraw/zinc/84/19/73/352841973.db2.gz YXMZYQKLPUETIG-KJPMQGKISA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1CC[C@H]1C 575593191 352842000 /nfs/dbraw/zinc/84/20/00/352842000.db2.gz YJPZHNQCHMPTAT-RGOKHQFPSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1[C@H]1CC[C@H]1C 575593191 352842004 /nfs/dbraw/zinc/84/20/04/352842004.db2.gz YJPZHNQCHMPTAT-RGOKHQFPSA-N 2 1 168.284 1.206 10 0 ADAEMP [NH3+]C1CC([N@H+]2C[C@H]3CCCC[C@@H]32)C1 575593283 352842025 /nfs/dbraw/zinc/84/20/25/352842025.db2.gz ZWZHZFTXUNAJIG-SFXRXQKFSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+]C1CC([N@H+]2C[C@@H]3CCCC[C@H]32)C1 575593281 352842051 /nfs/dbraw/zinc/84/20/51/352842051.db2.gz ZWZHZFTXUNAJIG-IDWGSYCQSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1[C@@H]([N@@H+]2C[C@H]([NH3+])C[C@H]2C)C[C@H]1C 575593220 352842068 /nfs/dbraw/zinc/84/20/68/352842068.db2.gz YXMZYQKLPUETIG-NZFPMDFQSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1[C@@H]([N@H+]2C[C@H]([NH3+])C[C@H]2C)C[C@H]1C 575593220 352842071 /nfs/dbraw/zinc/84/20/71/352842071.db2.gz YXMZYQKLPUETIG-NZFPMDFQSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1[C@H]1C[C@@H](C)[C@H]1C 575593221 352842113 /nfs/dbraw/zinc/84/21/13/352842113.db2.gz YXMZYQKLPUETIG-QGKZMRNZSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1[C@H]1C[C@@H](C)[C@H]1C 575593221 352842114 /nfs/dbraw/zinc/84/21/14/352842114.db2.gz YXMZYQKLPUETIG-QGKZMRNZSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@@H+]1C[C@H]([NH3+])C[C@H]1C 575593190 352842145 /nfs/dbraw/zinc/84/21/45/352842145.db2.gz YJPZHNQCHMPTAT-KYXWUPHJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1C[C@H]([NH3+])C[C@H]1C 575593190 352842147 /nfs/dbraw/zinc/84/21/47/352842147.db2.gz YJPZHNQCHMPTAT-KYXWUPHJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 575593224 352842167 /nfs/dbraw/zinc/84/21/67/352842167.db2.gz YXQQAQUGEKPFGE-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 575593188 352842192 /nfs/dbraw/zinc/84/21/92/352842192.db2.gz YJPZHNQCHMPTAT-IMSYWVGJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CC[C@@H]1[N@H+]1C[C@@H]([NH3+])C[C@H]1C 575593188 352842193 /nfs/dbraw/zinc/84/21/93/352842193.db2.gz YJPZHNQCHMPTAT-IMSYWVGJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1CC[N@H+]1[C@@H]1CC[NH2+]C(C)(C)C1 575593222 352842202 /nfs/dbraw/zinc/84/22/02/352842202.db2.gz YXQQAQUGEKPFGE-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP [NH3+]C1CC([N@H+]2C[C@@H]3CCCC[C@@H]32)C1 575593282 352842225 /nfs/dbraw/zinc/84/22/25/352842225.db2.gz ZWZHZFTXUNAJIG-PMUOWJKOSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H]2C)[C@@H]1C 575593218 352842290 /nfs/dbraw/zinc/84/22/90/352842290.db2.gz YXMZYQKLPUETIG-ILAIQSSSSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@H]2C)[C@@H]1C 575593218 352842292 /nfs/dbraw/zinc/84/22/92/352842292.db2.gz YXMZYQKLPUETIG-ILAIQSSSSA-N 2 1 182.311 1.452 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC1(C)C 575593988 352846291 /nfs/dbraw/zinc/84/62/91/352846291.db2.gz ACPHARQUZULZHS-SFYZADRCSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC1(C)C 575593989 352846303 /nfs/dbraw/zinc/84/63/03/352846303.db2.gz ACPHARQUZULZHS-YUMQZZPRSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@@H]1C[C@@H]([N@H+]2CCC2(C)C)CC[NH2+]1 575593996 352846386 /nfs/dbraw/zinc/84/63/86/352846386.db2.gz AOZCGNOXKNSOFE-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C1CCC2(C1)CC[N@H+]2C[C@H]1CC[NH2+]1 575593992 352846399 /nfs/dbraw/zinc/84/63/99/352846399.db2.gz ALHDKZSMEJIIGX-SNVBAGLBSA-N 2 1 180.295 1.367 10 0 ADAEMP C1CCC2(C1)CC[N@@H+]2C[C@H]1CC[NH2+]1 575593992 352846400 /nfs/dbraw/zinc/84/64/00/352846400.db2.gz ALHDKZSMEJIIGX-SNVBAGLBSA-N 2 1 180.295 1.367 10 0 ADAEMP C[C@@H]1C[C@H]([N@H+]2CCC2(C)C)CC[NH2+]1 575593993 352846423 /nfs/dbraw/zinc/84/64/23/352846423.db2.gz AOZCGNOXKNSOFE-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP C1CCC2(C1)CC[N@H+]2C[C@@H]1CC[NH2+]1 575593991 352846453 /nfs/dbraw/zinc/84/64/53/352846453.db2.gz ALHDKZSMEJIIGX-JTQLQIEISA-N 2 1 180.295 1.367 10 0 ADAEMP C1CCC2(C1)CC[N@@H+]2C[C@@H]1CC[NH2+]1 575593991 352846455 /nfs/dbraw/zinc/84/64/55/352846455.db2.gz ALHDKZSMEJIIGX-JTQLQIEISA-N 2 1 180.295 1.367 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC1(C)C 575593986 352846551 /nfs/dbraw/zinc/84/65/51/352846551.db2.gz ACPHARQUZULZHS-HTQZYQBOSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]1C[C@H]([N@H+]2CCC2(C)C)CC[NH2+]1 575593995 352846459 /nfs/dbraw/zinc/84/64/59/352846459.db2.gz AOZCGNOXKNSOFE-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC1(C)C 575593987 352846476 /nfs/dbraw/zinc/84/64/76/352846476.db2.gz ACPHARQUZULZHS-JGVFFNPUSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CCC2(C)C)CC[NH2+]1 575593994 352846522 /nfs/dbraw/zinc/84/65/22/352846522.db2.gz AOZCGNOXKNSOFE-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC23CC3)C[C@@H]1[NH3+] 575594014 352847199 /nfs/dbraw/zinc/84/71/99/352847199.db2.gz AWPGIJNFLHIINR-UTLUCORTSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@@H+]2CCC2(C)C)C1 575594038 352847120 /nfs/dbraw/zinc/84/71/20/352847120.db2.gz BPBIKWLRWAPOIP-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([N@H+]2CCC2(C)C)C1 575594038 352847122 /nfs/dbraw/zinc/84/71/22/352847122.db2.gz BPBIKWLRWAPOIP-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@H+]1CC1CCC([NH3+])CC1 575594017 352847127 /nfs/dbraw/zinc/84/71/27/352847127.db2.gz BANAAVBFGSTQDT-KPPDAEKUSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 575594022 352847155 /nfs/dbraw/zinc/84/71/55/352847155.db2.gz BASNXTLUAFNGOT-ZRUFSTJUSA-N 2 1 182.311 1.739 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2CC23CC3)C[C@H]1[NH3+] 575594013 352847216 /nfs/dbraw/zinc/84/72/16/352847216.db2.gz AWPGIJNFLHIINR-OPRDCNLKSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCCC[C@H]1[NH3+] 575594001 352847227 /nfs/dbraw/zinc/84/72/27/352847227.db2.gz AQVCCFREXIHVOG-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([N@@H+]2CCC2(C)C)C1 575594037 352847321 /nfs/dbraw/zinc/84/73/21/352847321.db2.gz BPBIKWLRWAPOIP-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([N@H+]2CCC2(C)C)C1 575594037 352847325 /nfs/dbraw/zinc/84/73/25/352847325.db2.gz BPBIKWLRWAPOIP-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCCC[C@@H]1[NH3+] 575594004 352847331 /nfs/dbraw/zinc/84/73/31/352847331.db2.gz AQVCCFREXIHVOG-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCCC[C@H]1[NH3+] 575594003 352847370 /nfs/dbraw/zinc/84/73/70/352847370.db2.gz AQVCCFREXIHVOG-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1C[C@H]2CCC[C@H]21 575594071 352847382 /nfs/dbraw/zinc/84/73/82/352847382.db2.gz CXOYDTLFHVEZFP-DBIOUOCHSA-N 2 1 180.295 1.351 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1C[C@@H]2CCC[C@H]21 575594073 352847439 /nfs/dbraw/zinc/84/74/39/352847439.db2.gz CXOYDTLFHVEZFP-ZDCRXTMVSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2CC23CC3)C[C@H]1[NH3+] 575594012 352847463 /nfs/dbraw/zinc/84/74/63/352847463.db2.gz AWPGIJNFLHIINR-KXUCPTDWSA-N 2 1 180.295 1.066 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 575594021 352847526 /nfs/dbraw/zinc/84/75/26/352847526.db2.gz BASNXTLUAFNGOT-YTWAJWBKSA-N 2 1 182.311 1.739 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([N@@H+]2CCC2(C)C)C1 575594036 352847593 /nfs/dbraw/zinc/84/75/93/352847593.db2.gz BPBIKWLRWAPOIP-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([N@H+]2CCC2(C)C)C1 575594036 352847600 /nfs/dbraw/zinc/84/76/00/352847600.db2.gz BPBIKWLRWAPOIP-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP [NH3+][C@@H]1CCC[C@@H]1[N@H+]1C[C@@H]2CCC[C@@H]21 575594072 352847665 /nfs/dbraw/zinc/84/76/65/352847665.db2.gz CXOYDTLFHVEZFP-VLEAKVRGSA-N 2 1 180.295 1.351 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC1(C)C 575594256 352848963 /nfs/dbraw/zinc/84/89/63/352848963.db2.gz FRTSNVCHDDLBKF-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCC1(C)C 575594256 352848965 /nfs/dbraw/zinc/84/89/65/352848965.db2.gz FRTSNVCHDDLBKF-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CCC1(C)C 575594253 352849047 /nfs/dbraw/zinc/84/90/47/352849047.db2.gz FRTSNVCHDDLBKF-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[NH2+]C[C@H]1[N@H+]1CCC1(C)C 575594253 352849050 /nfs/dbraw/zinc/84/90/50/352849050.db2.gz FRTSNVCHDDLBKF-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC1(C)C 575594254 352849085 /nfs/dbraw/zinc/84/90/85/352849085.db2.gz FRTSNVCHDDLBKF-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H]1C[NH2+]C[C@@H]1[N@H+]1CCC1(C)C 575594254 352849087 /nfs/dbraw/zinc/84/90/87/352849087.db2.gz FRTSNVCHDDLBKF-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC1(C)C 575594255 352849091 /nfs/dbraw/zinc/84/90/91/352849091.db2.gz FRTSNVCHDDLBKF-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@H]1[N@H+]1CCC1(C)C 575594440 352849465 /nfs/dbraw/zinc/84/94/65/352849465.db2.gz IMUCBCHYDNCXPV-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+]1CC[C@@H]1C 575594431 352849494 /nfs/dbraw/zinc/84/94/94/352849494.db2.gz IHWJKFPHZLFKFQ-VWYCJHECSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1[N@H+]1CCC1(C)C 575594438 352849514 /nfs/dbraw/zinc/84/95/14/352849514.db2.gz IMUCBCHYDNCXPV-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC12CC2 575594437 352849543 /nfs/dbraw/zinc/84/95/43/352849543.db2.gz IKUOAHPZYAXLJH-UTLUCORTSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@H]1CC12CC2 575594436 352849574 /nfs/dbraw/zinc/84/95/74/352849574.db2.gz IKUOAHPZYAXLJH-OPRDCNLKSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC12CC2 575594433 352849590 /nfs/dbraw/zinc/84/95/90/352849590.db2.gz IKUOAHPZYAXLJH-BBBLOLIVSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CC[C@@H]1C 575594430 352849660 /nfs/dbraw/zinc/84/96/60/352849660.db2.gz IHWJKFPHZLFKFQ-OUAUKWLOSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+]1CCC1(C)C 575594441 352849757 /nfs/dbraw/zinc/84/97/57/352849757.db2.gz IMUCBCHYDNCXPV-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H]1CC12CC2 575594435 352849770 /nfs/dbraw/zinc/84/97/70/352849770.db2.gz IKUOAHPZYAXLJH-KXUCPTDWSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@H]1C[NH2+]CC[C@@H]1[N@H+]1CCC1(C)C 575594439 352849806 /nfs/dbraw/zinc/84/98/06/352849806.db2.gz IMUCBCHYDNCXPV-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+]1CC[C@H]1C 575594428 352849839 /nfs/dbraw/zinc/84/98/39/352849839.db2.gz IHWJKFPHZLFKFQ-MXWKQRLJSA-N 2 1 182.311 1.326 10 0 ADAEMP C1C[C@H]2C[N@H+](C3CC[NH2+]CC3)[C@H]2C1 575594802 352850596 /nfs/dbraw/zinc/85/05/96/352850596.db2.gz NMFSHNDJAPOZBM-ONGXEEELSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)C[NH2+]C1 575594692 352850636 /nfs/dbraw/zinc/85/06/36/352850636.db2.gz LMTZBYNVFOSNQR-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[C@H]([N@H+]2CC[C@H]3C[C@H]32)C[NH2+]C1 575594689 352850645 /nfs/dbraw/zinc/85/06/45/352850645.db2.gz LMTZBYNVFOSNQR-GARJFASQSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]2C[N@H+](C3CC[NH2+]CC3)[C@@H]2C1 575594797 352850750 /nfs/dbraw/zinc/85/07/50/352850750.db2.gz NMFSHNDJAPOZBM-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@@H]2C[N@H+](C3CC[NH2+]CC3)[C@@H]2C1 575594801 352850767 /nfs/dbraw/zinc/85/07/67/352850767.db2.gz NMFSHNDJAPOZBM-MWLCHTKSSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H]1CC[C@@H](C)[N@H+]1C1CC([NH3+])C1 575594782 352850845 /nfs/dbraw/zinc/85/08/45/352850845.db2.gz NHYWSKMLHQMJBA-BQKDNTBBSA-N 2 1 168.284 1.349 10 0 ADAEMP C1C[C@H]2[C@H](C1)C[N@@H+]2C1CC[NH2+]CC1 575594798 352850880 /nfs/dbraw/zinc/85/08/80/352850880.db2.gz NMFSHNDJAPOZBM-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)[C@H]1CCC[NH2+]1 575594970 352851764 /nfs/dbraw/zinc/85/17/64/352851764.db2.gz QITKUYDQDLZKTD-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2C[C@@H]3CCC[C@H]32)C1 575594907 352851238 /nfs/dbraw/zinc/85/12/38/352851238.db2.gz OMGJBQGYJSCLPC-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCC[C@@H]([NH3+])C1 575594981 352851266 /nfs/dbraw/zinc/85/12/66/352851266.db2.gz QPFKTJVKALGJMT-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C1CC[C@@H]2[C@@H](C1)C[N@@H+]2[C@H]1CC[NH2+]C1 575594889 352851313 /nfs/dbraw/zinc/85/13/13/352851313.db2.gz OEJCZDJOEJPZFG-GARJFASQSA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[C@@H]2[C@@H](C1)C[N@@H+]2[C@@H]1CC[NH2+]C1 575594891 352851342 /nfs/dbraw/zinc/85/13/42/352851342.db2.gz OEJCZDJOEJPZFG-HBNTYKKESA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[C@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)[C@H]2C1 575594905 352851350 /nfs/dbraw/zinc/85/13/50/352851350.db2.gz OMGJBQGYJSCLPC-AXFHLTTASA-N 2 1 180.295 1.223 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)C[N@@H+]2[C@H]1CC[NH2+]C1 575594892 352851381 /nfs/dbraw/zinc/85/13/81/352851381.db2.gz OEJCZDJOEJPZFG-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2C[C@H]3CCC[C@H]32)C1 575594906 352851399 /nfs/dbraw/zinc/85/13/99/352851399.db2.gz OMGJBQGYJSCLPC-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@](C)([NH3+])C1 575594955 352851483 /nfs/dbraw/zinc/85/14/83/352851483.db2.gz PSUSPGBYBRZMRM-UTLUCORTSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1C 575594968 352851530 /nfs/dbraw/zinc/85/15/30/352851530.db2.gz QITKUYDQDLZKTD-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)[C@@H]2CCC[NH2+]2)[C@@H]1C 575594968 352851532 /nfs/dbraw/zinc/85/15/32/352851532.db2.gz QITKUYDQDLZKTD-DBIOUOCHSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@](C)([NH3+])C1 575594952 352851580 /nfs/dbraw/zinc/85/15/80/352851580.db2.gz PSUSPGBYBRZMRM-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CC1(C[N@H+]2CCC23CCC3)C[NH2+]C1 575594980 352851607 /nfs/dbraw/zinc/85/16/07/352851607.db2.gz QOFJLGPXPKLNOA-UHFFFAOYSA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C)([NH3+])C1 575594953 352851632 /nfs/dbraw/zinc/85/16/32/352851632.db2.gz PSUSPGBYBRZMRM-KXUCPTDWSA-N 2 1 168.284 1.066 10 0 ADAEMP C1C[C@H]2[C@H](C1)C[N@@H+]2[C@@H]1CCC[NH2+]C1 575594908 352851646 /nfs/dbraw/zinc/85/16/46/352851646.db2.gz OMGJBQGYJSCLPC-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP CC(C)([NH3+])C[N@H+]1CCC12CCCC2 575594888 352851720 /nfs/dbraw/zinc/85/17/20/352851720.db2.gz ODPSUZXEJHGRAD-UHFFFAOYSA-N 2 1 182.311 1.742 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@H](C)[C@H]1CCC[NH2+]1 575594970 352851761 /nfs/dbraw/zinc/85/17/61/352851761.db2.gz QITKUYDQDLZKTD-LMLFDSFASA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@](C)([NH3+])C1 575594954 352851780 /nfs/dbraw/zinc/85/17/80/352851780.db2.gz PSUSPGBYBRZMRM-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1[C@H](C)[C@@H]1CCC[NH2+]1 575594971 352851810 /nfs/dbraw/zinc/85/18/10/352851810.db2.gz QITKUYDQDLZKTD-YTWAJWBKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H](C)[C@@H]1CCC[NH2+]1 575594971 352851812 /nfs/dbraw/zinc/85/18/12/352851812.db2.gz QITKUYDQDLZKTD-YTWAJWBKSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H](C)[C@H]2CCC[NH2+]2)[C@@H]1C 575594969 352851830 /nfs/dbraw/zinc/85/18/30/352851830.db2.gz QITKUYDQDLZKTD-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H](C)[C@H]2CCC[NH2+]2)[C@@H]1C 575594969 352851832 /nfs/dbraw/zinc/85/18/32/352851832.db2.gz QITKUYDQDLZKTD-GWOFURMSSA-N 2 1 182.311 1.467 10 0 ADAEMP C1CC[C@@H]2[C@H](C1)C[N@@H+]2[C@@H]1CC[NH2+]C1 575594890 352851847 /nfs/dbraw/zinc/85/18/47/352851847.db2.gz OEJCZDJOEJPZFG-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC12CCCC2 575595066 352852276 /nfs/dbraw/zinc/85/22/76/352852276.db2.gz TXFQPMXJZOSCIP-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2C[C@@H]3CCC[C@H]32)C1 575595001 352852297 /nfs/dbraw/zinc/85/22/97/352852297.db2.gz RGGYGPCJWPJZDO-QONHTCSSSA-N 2 1 180.295 1.208 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2C[C@H]3CCC[C@@H]32)C1 575595000 352852307 /nfs/dbraw/zinc/85/23/07/352852307.db2.gz RGGYGPCJWPJZDO-DJRKXVOMSA-N 2 1 180.295 1.208 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCC[C@@H]([NH3+])C1 575594983 352852335 /nfs/dbraw/zinc/85/23/35/352852335.db2.gz QPFKTJVKALGJMT-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C1(C[N@H+]2CCC23CCCC3)CC1 575594985 352852438 /nfs/dbraw/zinc/85/24/38/352852438.db2.gz QPOQGRMMVSFFOW-UHFFFAOYSA-N 2 1 180.295 1.496 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@H]1CCC[C@H]([NH3+])C1 575594984 352852472 /nfs/dbraw/zinc/85/24/72/352852472.db2.gz QPFKTJVKALGJMT-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@H]1CCC[C@H]([NH3+])C1 575594982 352852507 /nfs/dbraw/zinc/85/25/07/352852507.db2.gz QPFKTJVKALGJMT-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2C[C@H]3CCC[C@H]32)C1 575595002 352852532 /nfs/dbraw/zinc/85/25/32/352852532.db2.gz RGGYGPCJWPJZDO-VGRIYTJTSA-N 2 1 180.295 1.208 10 0 ADAEMP CC1(C)[C@@H]([NH3+])C[C@@H]1[N@@H+]1CCC1(C)C 575595105 352852568 /nfs/dbraw/zinc/85/25/68/352852568.db2.gz VOZJGIZZEQKCQG-IUCAKERBSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CC[C@H]([NH3+])C1 575595012 352852600 /nfs/dbraw/zinc/85/26/00/352852600.db2.gz RLEUQPAULJEFEL-IUCAKERBSA-N 2 1 168.284 1.351 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2C[C@@H]3CCC[C@@H]32)C1 575595003 352852678 /nfs/dbraw/zinc/85/26/78/352852678.db2.gz RGGYGPCJWPJZDO-YIYTYNFBSA-N 2 1 180.295 1.208 10 0 ADAEMP CC1(C)[C@H]([NH3+])C[C@H]1[N@@H+]1CCC1(C)C 575595106 352852689 /nfs/dbraw/zinc/85/26/89/352852689.db2.gz VOZJGIZZEQKCQG-RKDXNWHRSA-N 2 1 182.311 1.597 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CC[C@@H]([NH3+])C1 575595013 352852723 /nfs/dbraw/zinc/85/27/23/352852723.db2.gz RLEUQPAULJEFEL-RKDXNWHRSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC12CCCC2 575595067 352852737 /nfs/dbraw/zinc/85/27/37/352852737.db2.gz TXFQPMXJZOSCIP-VIFPVBQESA-N 2 1 168.284 1.352 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 575595011 352852783 /nfs/dbraw/zinc/85/27/83/352852783.db2.gz RLEUQPAULJEFEL-DTWKUNHWSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CC[C@@H]([NH3+])C1 575595010 352852791 /nfs/dbraw/zinc/85/27/91/352852791.db2.gz RLEUQPAULJEFEL-BDAKNGLRSA-N 2 1 168.284 1.351 10 0 ADAEMP CC1(C)[C@@H]([NH3+])C[C@H]1[N@@H+]1CCC1(C)C 575595104 352852837 /nfs/dbraw/zinc/85/28/37/352852837.db2.gz VOZJGIZZEQKCQG-DTWKUNHWSA-N 2 1 182.311 1.597 10 0 ADAEMP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC23CCC3)C1 575595054 352852869 /nfs/dbraw/zinc/85/28/69/352852869.db2.gz TUQXVBNVTJQVES-AOOOYVTPSA-N 2 1 180.295 1.352 10 0 ADAEMP CC1(C)[C@@H]([N@@H+]2CCC2(C)C)C[C@H]1[NH3+] 575595103 352852959 /nfs/dbraw/zinc/85/29/59/352852959.db2.gz VOZJGIZZEQKCQG-BDAKNGLRSA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC1CC([NH3+])C1 575595218 352853332 /nfs/dbraw/zinc/85/33/32/352853332.db2.gz XRVKVGDTCVQQQA-XHHQTKHESA-N 2 1 168.284 1.064 10 0 ADAEMP C1CC[C@@H]2C[N@H+](CC3C[NH2+]C3)[C@H]2C1 575595142 352853406 /nfs/dbraw/zinc/85/34/06/352853406.db2.gz VZUNEOVFLWXDOW-MNOVXSKESA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@@H]1CCC[NH2+]CC1 575595132 352853509 /nfs/dbraw/zinc/85/35/09/352853509.db2.gz VXPSTSWIKGEKGQ-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)[C@@H]1C 575595131 352853479 /nfs/dbraw/zinc/85/34/79/352853479.db2.gz VXPSTSWIKGEKGQ-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 575595187 352853524 /nfs/dbraw/zinc/85/35/24/352853524.db2.gz XABMITRAWYXPQW-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H]2CCC[C@@H]21 575595162 352853533 /nfs/dbraw/zinc/85/35/33/352853533.db2.gz WMENQZGSBKLQMG-QEYWKRMJSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]21 575595163 352853574 /nfs/dbraw/zinc/85/35/74/352853574.db2.gz WMENQZGSBKLQMG-XKNYDFJKSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC([NH3+])C2)[C@@H]1C 575595215 352853620 /nfs/dbraw/zinc/85/36/20/352853620.db2.gz XRVKVGDTCVQQQA-AFWXGSBKSA-N 2 1 168.284 1.064 10 0 ADAEMP C1CC[C@@H]2[C@@H](C1)C[N@@H+]2CC1C[NH2+]C1 575595144 352853655 /nfs/dbraw/zinc/85/36/55/352853655.db2.gz VZUNEOVFLWXDOW-WDEREUQCSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC[C@H]2[C@@H](C1)C[N@@H+]2CC1C[NH2+]C1 575595143 352853682 /nfs/dbraw/zinc/85/36/82/352853682.db2.gz VZUNEOVFLWXDOW-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@H]2CCC[C@H]21 575595161 352853697 /nfs/dbraw/zinc/85/36/97/352853697.db2.gz WMENQZGSBKLQMG-AXTSPUMRSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)[C@@H]1C 575595130 352853770 /nfs/dbraw/zinc/85/37/70/352853770.db2.gz VXPSTSWIKGEKGQ-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1[C@H](C)C[N@@H+]1[C@H]1CCC[NH2+]CC1 575595133 352853875 /nfs/dbraw/zinc/85/38/75/352853875.db2.gz VXPSTSWIKGEKGQ-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC([NH3+])C2)[C@@H]1C 575595217 352853836 /nfs/dbraw/zinc/85/38/36/352853836.db2.gz XRVKVGDTCVQQQA-LGUIWLBCSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]21 575595160 352853903 /nfs/dbraw/zinc/85/39/03/352853903.db2.gz WMENQZGSBKLQMG-AATLWQCWSA-N 2 1 168.284 1.206 10 0 ADAEMP C[C@H]1CC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 575595188 352853954 /nfs/dbraw/zinc/85/39/54/352853954.db2.gz XABMITRAWYXPQW-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]2C)CC[NH2+]1 575595186 352853958 /nfs/dbraw/zinc/85/39/58/352853958.db2.gz XABMITRAWYXPQW-MXWKQRLJSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC([NH3+])C2)[C@H]1C 575595216 352853981 /nfs/dbraw/zinc/85/39/81/352853981.db2.gz XRVKVGDTCVQQQA-DKEVHCRPSA-N 2 1 168.284 1.064 10 0 ADAEMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]2C)CC[NH2+]1 575595185 352853985 /nfs/dbraw/zinc/85/39/85/352853985.db2.gz XABMITRAWYXPQW-GMTAPVOTSA-N 2 1 182.311 1.469 10 0 ADAEMP CC(C)([NH3+])C[NH+]1CCC2(CC1)CC2 575595322 352854307 /nfs/dbraw/zinc/85/43/07/352854307.db2.gz BRZZJANNOZKWSE-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP [NH3+][C@H]1CC[C@H]([N@H+]2CCC23CCC3)C1 575595363 352854325 /nfs/dbraw/zinc/85/43/25/352854325.db2.gz FKLHRQYNKGXMJR-UWVGGRQHSA-N 2 1 180.295 1.495 10 0 ADAEMP [NH3+][C@H]1CC[C@@H]([N@H+]2CCC23CCC3)C1 575595364 352854342 /nfs/dbraw/zinc/85/43/42/352854342.db2.gz FKLHRQYNKGXMJR-VHSXEESVSA-N 2 1 180.295 1.495 10 0 ADAEMP CC1(C)CC[N@H+]1[C@H]1CCC[C@H]([NH3+])C1 575595276 352854381 /nfs/dbraw/zinc/85/43/81/352854381.db2.gz ZVDFJQOUPKSAPS-UWVGGRQHSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](C[C@H]2CC23CC3)C1 575595253 352854436 /nfs/dbraw/zinc/85/44/36/352854436.db2.gz YXHZMTBDBQEWCO-ZJUUUORDSA-N 2 1 180.295 1.210 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[C@H]([NH3+])C1 575595277 352854473 /nfs/dbraw/zinc/85/44/73/352854473.db2.gz ZVDFJQOUPKSAPS-VHSXEESVSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+](C[C@@H]2CC23CC3)C1 575595251 352854486 /nfs/dbraw/zinc/85/44/86/352854486.db2.gz YXHZMTBDBQEWCO-UWVGGRQHSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@@H]2CC23CC3)C1 575595252 352854520 /nfs/dbraw/zinc/85/45/20/352854520.db2.gz YXHZMTBDBQEWCO-VHSXEESVSA-N 2 1 180.295 1.210 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCC23CCC3)C1 575595362 352854535 /nfs/dbraw/zinc/85/45/35/352854535.db2.gz FKLHRQYNKGXMJR-NXEZZACHSA-N 2 1 180.295 1.495 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC23CCC3)C1 575595365 352854556 /nfs/dbraw/zinc/85/45/56/352854556.db2.gz FKLHRQYNKGXMJR-ZJUUUORDSA-N 2 1 180.295 1.495 10 0 ADAEMP CC1(C)CC[N@H+]1[C@@H]1CCC[C@@H]([NH3+])C1 575595275 352854869 /nfs/dbraw/zinc/85/48/69/352854869.db2.gz ZVDFJQOUPKSAPS-NXEZZACHSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@@]1([NH3+])CC[N@@H+](C[C@H]2CC23CC3)C1 575595250 352854882 /nfs/dbraw/zinc/85/48/82/352854882.db2.gz YXHZMTBDBQEWCO-NXEZZACHSA-N 2 1 180.295 1.210 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC12CCC2 575595381 352855104 /nfs/dbraw/zinc/85/51/04/352855104.db2.gz GJGCTACHNYNXRQ-DTWKUNHWSA-N 2 1 168.284 1.351 10 0 ADAEMP C1C[C@@H]([NH+]2CCC3(CC2)CC3)C[NH2+]1 575595395 352855150 /nfs/dbraw/zinc/85/51/50/352855150.db2.gz GVMAKORKWHFROA-SNVBAGLBSA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[NH+]1CCC2(CC1)CC2 575595409 352855156 /nfs/dbraw/zinc/85/51/56/352855156.db2.gz HJLNUCSDEAWZDC-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC12CCC2 575595380 352855175 /nfs/dbraw/zinc/85/51/75/352855175.db2.gz GJGCTACHNYNXRQ-BDAKNGLRSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[NH+]1CCC2(CC1)CC2 575595408 352855197 /nfs/dbraw/zinc/85/51/97/352855197.db2.gz HJLNUCSDEAWZDC-UWVGGRQHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCCC[C@@H]21 575595455 352855221 /nfs/dbraw/zinc/85/52/21/352855221.db2.gz JXISRVGPZNNHEO-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCCC[C@@H]21 575595455 352855225 /nfs/dbraw/zinc/85/52/25/352855225.db2.gz JXISRVGPZNNHEO-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC12CCC2 575595382 352855263 /nfs/dbraw/zinc/85/52/63/352855263.db2.gz GJGCTACHNYNXRQ-IUCAKERBSA-N 2 1 168.284 1.351 10 0 ADAEMP C1C[C@H]([NH+]2CCC3(CC2)CC3)C[NH2+]1 575595394 352855287 /nfs/dbraw/zinc/85/52/87/352855287.db2.gz GVMAKORKWHFROA-JTQLQIEISA-N 2 1 180.295 1.224 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[NH+]1CCC2(CC1)CC2 575595410 352855320 /nfs/dbraw/zinc/85/53/20/352855320.db2.gz HJLNUCSDEAWZDC-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC12CCC2 575595383 352855351 /nfs/dbraw/zinc/85/53/51/352855351.db2.gz GJGCTACHNYNXRQ-RKDXNWHRSA-N 2 1 168.284 1.351 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCCC[C@H]21 575595456 352855450 /nfs/dbraw/zinc/85/54/50/352855450.db2.gz JXISRVGPZNNHEO-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCCC[C@H]21 575595456 352855451 /nfs/dbraw/zinc/85/54/51/352855451.db2.gz JXISRVGPZNNHEO-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C1CC([N@H+]2CCC23CCC3)C1 575595501 352855458 /nfs/dbraw/zinc/85/54/58/352855458.db2.gz MBBVDEYHXXRAGP-UHFFFAOYSA-N 2 1 166.268 1.105 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[NH+]1CCC2(CC1)CC2 575595407 352855464 /nfs/dbraw/zinc/85/54/64/352855464.db2.gz HJLNUCSDEAWZDC-NXEZZACHSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCCC[C@H]21 575595454 352855522 /nfs/dbraw/zinc/85/55/22/352855522.db2.gz JXISRVGPZNNHEO-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCCC[C@H]21 575595454 352855523 /nfs/dbraw/zinc/85/55/23/352855523.db2.gz JXISRVGPZNNHEO-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@@H]2CCCCC[C@@H]21 575595457 352855547 /nfs/dbraw/zinc/85/55/47/352855547.db2.gz JXISRVGPZNNHEO-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@@H]2CCCCC[C@@H]21 575595457 352855549 /nfs/dbraw/zinc/85/55/49/352855549.db2.gz JXISRVGPZNNHEO-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC12CCC2 575595698 352855858 /nfs/dbraw/zinc/85/58/58/352855858.db2.gz UDRBEXWDPREWEA-UWVGGRQHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@H]1CC[C@@H]1[N@H+]1CCC12CCC2 575595700 352855893 /nfs/dbraw/zinc/85/58/93/352855893.db2.gz UDRBEXWDPREWEA-ZJUUUORDSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC12CCC2 575595699 352856023 /nfs/dbraw/zinc/85/60/23/352856023.db2.gz UDRBEXWDPREWEA-VHSXEESVSA-N 2 1 180.295 1.352 10 0 ADAEMP C1CCC2(C1)CC[N@@H+]2CC1C[NH2+]C1 575595644 352856068 /nfs/dbraw/zinc/85/60/68/352856068.db2.gz PYXBVGZQUZRREV-UHFFFAOYSA-N 2 1 180.295 1.224 10 0 ADAEMP [NH3+]C1CC([N@H+]2CCC23CCCC3)C1 575595693 352856228 /nfs/dbraw/zinc/85/62/28/352856228.db2.gz TZWWCGGQAZGVBS-UHFFFAOYSA-N 2 1 180.295 1.495 10 0 ADAEMP [NH3+][C@H]1C[C@H](C[N@H+]2CCC23CCC3)C1 575595689 352856274 /nfs/dbraw/zinc/85/62/74/352856274.db2.gz TUQXVBNVTJQVES-MGCOHNPYSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C[C@H]1CC[C@H]1[N@H+]1CCC12CCC2 575595697 352856285 /nfs/dbraw/zinc/85/62/85/352856285.db2.gz UDRBEXWDPREWEA-NXEZZACHSA-N 2 1 180.295 1.352 10 0 ADAEMP [NH3+]C1CC([N@H+]2CCC[C@H]2C2CC2)C1 575595828 352856593 /nfs/dbraw/zinc/85/65/93/352856593.db2.gz WQSPFNVXTJUWHW-ILDUYXDCSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCC12CCCC2 575595842 352856609 /nfs/dbraw/zinc/85/66/09/352856609.db2.gz XCAACFCZQHZDIL-NXEZZACHSA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@H]([NH3+])[C@@H](C)[N@H+]1CCC12CCCC2 575595846 352856685 /nfs/dbraw/zinc/85/66/85/352856685.db2.gz XCAACFCZQHZDIL-VHSXEESVSA-N 2 1 182.311 1.741 10 0 ADAEMP [NH3+]C1(C[NH+]2CCC3(CC2)CC3)CC1 575595722 352856760 /nfs/dbraw/zinc/85/67/60/352856760.db2.gz URGHJEJVUKKMFF-UHFFFAOYSA-N 2 1 180.295 1.354 10 0 ADAEMP C[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC12CCCC2 575595847 352856819 /nfs/dbraw/zinc/85/68/19/352856819.db2.gz XCAACFCZQHZDIL-ZJUUUORDSA-N 2 1 182.311 1.741 10 0 ADAEMP [NH3+]C1CC([N@H+]2CCC[C@@H]2C2CC2)C1 575595829 352856853 /nfs/dbraw/zinc/85/68/53/352856853.db2.gz WQSPFNVXTJUWHW-VQXHTEKXSA-N 2 1 180.295 1.351 10 0 ADAEMP C[C@H]([NH3+])[C@H](C)[N@H+]1CCC12CCCC2 575595843 352857029 /nfs/dbraw/zinc/85/70/29/352857029.db2.gz XCAACFCZQHZDIL-UWVGGRQHSA-N 2 1 182.311 1.741 10 0 ADAEMP C1CCC2(C1)CC[N@H+]2[C@H]1CC[NH2+]C1 575595913 352857500 /nfs/dbraw/zinc/85/75/00/352857500.db2.gz ZEILYPBHUJNBQS-JTQLQIEISA-N 2 1 180.295 1.367 10 0 ADAEMP C1CCC2(C1)CC[N@@H+]2[C@H]1CC[NH2+]C1 575595913 352857502 /nfs/dbraw/zinc/85/75/02/352857502.db2.gz ZEILYPBHUJNBQS-JTQLQIEISA-N 2 1 180.295 1.367 10 0 ADAEMP C1CCC2(C1)CC[N@H+]2[C@@H]1CC[NH2+]C1 575595915 352857734 /nfs/dbraw/zinc/85/77/34/352857734.db2.gz ZEILYPBHUJNBQS-SNVBAGLBSA-N 2 1 180.295 1.367 10 0 ADAEMP C1CCC2(C1)CC[N@@H+]2[C@@H]1CC[NH2+]C1 575595915 352857738 /nfs/dbraw/zinc/85/77/38/352857738.db2.gz ZEILYPBHUJNBQS-SNVBAGLBSA-N 2 1 180.295 1.367 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H]1C 643075356 352936476 /nfs/dbraw/zinc/93/64/76/352936476.db2.gz BQAVEIYSGMHPAG-VGMNWLOBSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH2+]CCCF 643077232 352936799 /nfs/dbraw/zinc/93/67/99/352936799.db2.gz HFMLHMOHADGVII-KXUCPTDWSA-N 2 1 188.290 1.322 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCF 643077231 352936864 /nfs/dbraw/zinc/93/68/64/352936864.db2.gz HFMLHMOHADGVII-BBBLOLIVSA-N 2 1 188.290 1.322 10 0 ADAEMP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH2+]CCCF 643077234 352936874 /nfs/dbraw/zinc/93/68/74/352936874.db2.gz HFMLHMOHADGVII-UTLUCORTSA-N 2 1 188.290 1.322 10 0 ADAEMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCF 643077233 352936879 /nfs/dbraw/zinc/93/68/79/352936879.db2.gz HFMLHMOHADGVII-OPRDCNLKSA-N 2 1 188.290 1.322 10 0 ADAEMP CCC(C)(C)CC[N@H+](C)CC[NH3+] 643081351 352937921 /nfs/dbraw/zinc/93/79/21/352937921.db2.gz NDJOQCYIPVXCOD-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP CCC(C)(C)CC[N@@H+](C)CC[NH3+] 643081351 352937923 /nfs/dbraw/zinc/93/79/23/352937923.db2.gz NDJOQCYIPVXCOD-UHFFFAOYSA-N 2 1 172.316 1.703 10 0 ADAEMP C[NH2+]CC[NH2+][C@H](C)[C@H]1CC1(C)C 643504689 352977022 /nfs/dbraw/zinc/97/70/22/352977022.db2.gz XZXYUJBNJUGDBT-RKDXNWHRSA-N 2 1 170.300 1.230 10 0 ADAEMP C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 643453613 352952615 /nfs/dbraw/zinc/95/26/15/352952615.db2.gz LPBQFIFQSWBSHE-VPOLOUISSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 643453653 352952624 /nfs/dbraw/zinc/95/26/24/352952624.db2.gz PSMSHJOGTPUSAU-DOLQZWNJSA-N 2 1 168.284 1.125 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 643453611 352952631 /nfs/dbraw/zinc/95/26/31/352952631.db2.gz LPBQFIFQSWBSHE-GWOFURMSSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@H]1CCC[NH2+]1 643453654 352952652 /nfs/dbraw/zinc/95/26/52/352952652.db2.gz PSMSHJOGTPUSAU-UTINFBMNSA-N 2 1 168.284 1.125 10 0 ADAEMP C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 643453612 352952691 /nfs/dbraw/zinc/95/26/91/352952691.db2.gz LPBQFIFQSWBSHE-LMLFDSFASA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 643453610 352952753 /nfs/dbraw/zinc/95/27/53/352952753.db2.gz LPBQFIFQSWBSHE-CHWFTXMASA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 643453656 352952802 /nfs/dbraw/zinc/95/28/02/352952802.db2.gz PSMSHJOGTPUSAU-ZYUZMQFOSA-N 2 1 168.284 1.125 10 0 ADAEMP C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 643453655 352952958 /nfs/dbraw/zinc/95/29/58/352952958.db2.gz PSMSHJOGTPUSAU-XFWSIPNHSA-N 2 1 168.284 1.125 10 0 ADAEMP CC(C)[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643456902 352955118 /nfs/dbraw/zinc/95/51/18/352955118.db2.gz MPMJOCCJQHFMNZ-TUAOUCFPSA-N 2 1 198.354 1.866 10 0 ADAEMP CC(C)[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643456901 352955198 /nfs/dbraw/zinc/95/51/98/352955198.db2.gz MPMJOCCJQHFMNZ-QJPTWQEYSA-N 2 1 198.354 1.866 10 0 ADAEMP CC(C)[C@H](C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643456900 352955284 /nfs/dbraw/zinc/95/52/84/352955284.db2.gz MPMJOCCJQHFMNZ-IJLUTSLNSA-N 2 1 198.354 1.866 10 0 ADAEMP CC(C)[C@H](C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 643456903 352955789 /nfs/dbraw/zinc/95/57/89/352955789.db2.gz MPMJOCCJQHFMNZ-UTUOFQBUSA-N 2 1 198.354 1.866 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC1 643465683 352956466 /nfs/dbraw/zinc/95/64/66/352956466.db2.gz BRVZHMLJUXCGBS-ONGXEEELSA-N 2 1 182.311 1.374 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CC1 643465681 352956569 /nfs/dbraw/zinc/95/65/69/352956569.db2.gz BRVZHMLJUXCGBS-KOLCDFICSA-N 2 1 182.311 1.374 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC1 643465680 352956622 /nfs/dbraw/zinc/95/66/22/352956622.db2.gz BRVZHMLJUXCGBS-GXSJLCMTSA-N 2 1 182.311 1.374 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CC1 643465682 352956721 /nfs/dbraw/zinc/95/67/21/352956721.db2.gz BRVZHMLJUXCGBS-MWLCHTKSSA-N 2 1 182.311 1.374 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC1(C)C 643469515 352958748 /nfs/dbraw/zinc/95/87/48/352958748.db2.gz AZDNHDGULAWBCC-VWYCJHECSA-N 2 1 196.338 1.620 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC1(C)C 643469512 352958855 /nfs/dbraw/zinc/95/88/55/352958855.db2.gz AZDNHDGULAWBCC-GMTAPVOTSA-N 2 1 196.338 1.620 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC1(C)C 643469514 352958988 /nfs/dbraw/zinc/95/89/88/352958988.db2.gz AZDNHDGULAWBCC-OUAUKWLOSA-N 2 1 196.338 1.620 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC1(C)C 643469513 352959084 /nfs/dbraw/zinc/95/90/84/352959084.db2.gz AZDNHDGULAWBCC-MXWKQRLJSA-N 2 1 196.338 1.620 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC=CCC1 643474406 352959956 /nfs/dbraw/zinc/95/99/56/352959956.db2.gz GJCREWGOEHBHRA-GRYCIOLGSA-N 2 1 194.322 1.683 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC=CCC1 643474408 352960557 /nfs/dbraw/zinc/96/05/57/352960557.db2.gz GJCREWGOEHBHRA-UTUOFQBUSA-N 2 1 194.322 1.683 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC=CCC1 643474407 352960788 /nfs/dbraw/zinc/96/07/88/352960788.db2.gz GJCREWGOEHBHRA-IJLUTSLNSA-N 2 1 194.322 1.683 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC=CCC1 643474409 352961005 /nfs/dbraw/zinc/96/10/05/352961005.db2.gz GJCREWGOEHBHRA-WOPDTQHZSA-N 2 1 194.322 1.683 10 0 ADAEMP CC1(CC[NH2+][C@H]2CC[NH2+]C2)CC1 643486460 352963481 /nfs/dbraw/zinc/96/34/81/352963481.db2.gz FOSDXTOXDSYZMB-VIFPVBQESA-N 2 1 168.284 1.128 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H]1C 643488997 352963503 /nfs/dbraw/zinc/96/35/03/352963503.db2.gz FEIKWMOLKOONLV-VPOLOUISSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@H]1C 643488996 352963519 /nfs/dbraw/zinc/96/35/19/352963519.db2.gz FEIKWMOLKOONLV-RCWTZXSCSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[NH2+]CC[C@H]1C 643488998 352963529 /nfs/dbraw/zinc/96/35/29/352963529.db2.gz FEIKWMOLKOONLV-ZNSHCXBVSA-N 2 1 182.311 1.373 10 0 ADAEMP CC1(CC[NH2+][C@@H]2CC[NH2+]C2)CC1 643486459 352963628 /nfs/dbraw/zinc/96/36/28/352963628.db2.gz FOSDXTOXDSYZMB-SECBINFHSA-N 2 1 168.284 1.128 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCF 643490211 352964257 /nfs/dbraw/zinc/96/42/57/352964257.db2.gz SSMRSGMHXJZHNC-ZJUUUORDSA-N 2 1 188.290 1.324 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCF 643490208 352964343 /nfs/dbraw/zinc/96/43/43/352964343.db2.gz SSMRSGMHXJZHNC-NXEZZACHSA-N 2 1 188.290 1.324 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCF 643490209 352964350 /nfs/dbraw/zinc/96/43/50/352964350.db2.gz SSMRSGMHXJZHNC-UWVGGRQHSA-N 2 1 188.290 1.324 10 0 ADAEMP FC1(CC[NH2+][C@@H]2CC[NH2+]C2)CCC1 643489227 352964594 /nfs/dbraw/zinc/96/45/94/352964594.db2.gz CVGOJBAUATWSLP-SECBINFHSA-N 2 1 186.274 1.220 10 0 ADAEMP FC1(CC[NH2+][C@H]2CC[NH2+]C2)CCC1 643489228 352964728 /nfs/dbraw/zinc/96/47/28/352964728.db2.gz CVGOJBAUATWSLP-VIFPVBQESA-N 2 1 186.274 1.220 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCF 643490210 352964736 /nfs/dbraw/zinc/96/47/36/352964736.db2.gz SSMRSGMHXJZHNC-VHSXEESVSA-N 2 1 188.290 1.324 10 0 ADAEMP C[C@H](F)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643491015 352965343 /nfs/dbraw/zinc/96/53/43/352965343.db2.gz NUKGCWMWGDVOOU-LPEHRKFASA-N 2 1 188.290 1.322 10 0 ADAEMP C[C@H](F)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643491013 352965476 /nfs/dbraw/zinc/96/54/76/352965476.db2.gz NUKGCWMWGDVOOU-GUBZILKMSA-N 2 1 188.290 1.322 10 0 ADAEMP C[C@H](F)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643491016 352965580 /nfs/dbraw/zinc/96/55/80/352965580.db2.gz NUKGCWMWGDVOOU-UTLUCORTSA-N 2 1 188.290 1.322 10 0 ADAEMP C[C@H](F)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643491014 352965606 /nfs/dbraw/zinc/96/56/06/352965606.db2.gz NUKGCWMWGDVOOU-KXUCPTDWSA-N 2 1 188.290 1.322 10 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CC(C)[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C[C@H]1C 643495667 352968501 /nfs/dbraw/zinc/96/85/01/352968501.db2.gz BGHVDYXBGXZUFV-UTUOFQBUSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC1(C)C 643495040 352968517 /nfs/dbraw/zinc/96/85/17/352968517.db2.gz WZFFQBAGXAEQFQ-GUBZILKMSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C[C@@H]1C 643495666 352968528 /nfs/dbraw/zinc/96/85/28/352968528.db2.gz BGHVDYXBGXZUFV-TUAOUCFPSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC1(C)C 643495039 352968591 /nfs/dbraw/zinc/96/85/91/352968591.db2.gz WZFFQBAGXAEQFQ-AEJSXWLSSA-N 2 1 182.311 1.373 10 0 ADAEMP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC[NH3+] 643495821 352968990 /nfs/dbraw/zinc/96/89/90/352968990.db2.gz NLXPEVQKQDYQIE-DTWKUNHWSA-N 2 1 170.300 1.359 10 0 ADAEMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH3+] 643495820 352968978 /nfs/dbraw/zinc/96/89/78/352968978.db2.gz NLXPEVQKQDYQIE-BDAKNGLRSA-N 2 1 170.300 1.359 10 0 ADAEMP 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196.338 1.748 10 0 ADAEMP CC(C)C1CC([NH2+][C@H](C[NH3+])C2CC2)C1 643513018 352984673 /nfs/dbraw/zinc/98/46/73/352984673.db2.gz YGOYLKAQIWAGAP-HTAVTVPLSA-N 2 1 196.338 1.748 10 0 ADAEMP C[C@@H]1[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C[C@H]1C 643513026 352984751 /nfs/dbraw/zinc/98/47/51/352984751.db2.gz YTJKDGKHFMZDGV-YKDSUIRESA-N 2 1 182.311 1.358 10 0 ADAEMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)[C@@H]1CC1(C)C 643513012 352984797 /nfs/dbraw/zinc/98/47/97/352984797.db2.gz XOPHHTUSQQOZEZ-LSJOCFKGSA-N 2 1 196.338 1.748 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CC2)[C@@H]1C 643513024 352984867 /nfs/dbraw/zinc/98/48/67/352984867.db2.gz YTJKDGKHFMZDGV-HZQMYPQZSA-N 2 1 182.311 1.358 10 0 ADAEMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C 643515708 352987264 /nfs/dbraw/zinc/98/72/64/352987264.db2.gz UMCGKXURZSUXEU-VWYCJHECSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1C 643515700 352987433 /nfs/dbraw/zinc/98/74/33/352987433.db2.gz SASJVPQIEHRZIY-VPOLOUISSA-N 2 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/nfs/dbraw/zinc/68/36/89/371683689.db2.gz OYVWVRTZZVSKDA-VWYCJHECSA-N 2 1 184.327 1.605 10 0 ADAEMP Cc1nc2c([nH]1)Cc1[nH]c(C)nc1C2 211662773 371708416 /nfs/dbraw/zinc/70/84/16/371708416.db2.gz JOCIMOUWHWJCQL-UHFFFAOYSA-N 2 1 188.234 1.245 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1CCC2(CCCC2)C1 307140853 371774067 /nfs/dbraw/zinc/77/40/67/371774067.db2.gz CNAFMJUGLBCNHC-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H](C[NH3+])[N@@H+]1C[C@H]2CCCC[C@H]2C1 306173250 371744762 /nfs/dbraw/zinc/74/47/62/371744762.db2.gz VBXWSPURRBGOSJ-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H](C[NH3+])[N@H+]1C[C@H]2CCCC[C@H]2C1 306173250 371744767 /nfs/dbraw/zinc/74/47/67/371744767.db2.gz VBXWSPURRBGOSJ-MXWKQRLJSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H](C[NH3+])[N@@H+]1C[C@H]2CCCC[C@H]2C1 306173249 371744905 /nfs/dbraw/zinc/74/49/05/371744905.db2.gz VBXWSPURRBGOSJ-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H](C[NH3+])[N@H+]1C[C@H]2CCCC[C@H]2C1 306173249 371744909 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/nfs/dbraw/zinc/77/53/94/371775394.db2.gz UTELXXRYMCLCQV-JFGNBEQYSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@@H]1[N@H+](C)[C@H](C)C1CC1 307189568 371775416 /nfs/dbraw/zinc/77/54/16/371775416.db2.gz UTELXXRYMCLCQV-FOGDFJRCSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 307385087 371780286 /nfs/dbraw/zinc/78/02/86/371780286.db2.gz HPKQDYDAQRLBOK-WYUUTHIRSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C[NH2+]1 307385084 371780400 /nfs/dbraw/zinc/78/04/00/371780400.db2.gz HPKQDYDAQRLBOK-RHYQMDGZSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 307385085 371780435 /nfs/dbraw/zinc/78/04/35/371780435.db2.gz HPKQDYDAQRLBOK-WISYIIOYSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)C2)C[NH2+]1 307385083 371780478 /nfs/dbraw/zinc/78/04/78/371780478.db2.gz HPKQDYDAQRLBOK-NOOOWODRSA-N 2 1 196.338 1.905 10 0 ADAEMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH2+]C 318983030 371785179 /nfs/dbraw/zinc/78/51/79/371785179.db2.gz IXXLLQXNJBMQBF-AEJSXWLSSA-N 2 1 172.316 1.619 10 0 ADAEMP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH2+]C 318983031 371785236 /nfs/dbraw/zinc/78/52/36/371785236.db2.gz IXXLLQXNJBMQBF-GUBZILKMSA-N 2 1 172.316 1.619 10 0 ADAEMP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH2+]C 318983032 371785466 /nfs/dbraw/zinc/78/54/66/371785466.db2.gz IXXLLQXNJBMQBF-IVZWLZJFSA-N 2 1 172.316 1.619 10 0 ADAEMP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH2+]C 318983033 371785609 /nfs/dbraw/zinc/78/56/09/371785609.db2.gz IXXLLQXNJBMQBF-LPEHRKFASA-N 2 1 172.316 1.619 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@@H](C)C(C)C 319559307 371788686 /nfs/dbraw/zinc/78/86/86/371788686.db2.gz PNQPIPAMMQJYFB-BDAKNGLRSA-N 2 1 158.289 1.228 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)C(C)C 319559309 371788711 /nfs/dbraw/zinc/78/87/11/371788711.db2.gz PNQPIPAMMQJYFB-IUCAKERBSA-N 2 1 158.289 1.228 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H](C)C(C)C 319559308 371789063 /nfs/dbraw/zinc/78/90/63/371789063.db2.gz PNQPIPAMMQJYFB-DTWKUNHWSA-N 2 1 158.289 1.228 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+][C@H](C)C(C)C 319559310 371789719 /nfs/dbraw/zinc/78/97/19/371789719.db2.gz PNQPIPAMMQJYFB-RKDXNWHRSA-N 2 1 158.289 1.228 10 0 ADAEMP CC1(C)CC[N@@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 575496872 371826084 /nfs/dbraw/zinc/82/60/84/371826084.db2.gz BFMGEIKNTBJZOY-AOOOYVTPSA-N 2 1 182.311 1.456 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2CCC[C@H](F)C2)C1 575496849 371826124 /nfs/dbraw/zinc/82/61/24/371826124.db2.gz AVBWJXJDNSPYGM-KYHHOPLUSA-N 2 1 186.274 1.158 10 0 ADAEMP [NH3+]C1CC(C[N@H+]2CCC[C@@H](F)C2)C1 575496848 371826283 /nfs/dbraw/zinc/82/62/83/371826283.db2.gz AVBWJXJDNSPYGM-HWOCKDDLSA-N 2 1 186.274 1.158 10 0 ADAEMP CC1(C)C[N@H+](CC2([NH3+])CC2)C1(C)C 575566772 371831885 /nfs/dbraw/zinc/83/18/85/371831885.db2.gz FUMJEZOOVPPOIC-UHFFFAOYSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1[N@@H+]1CCC1(C)C 575594566 371832918 /nfs/dbraw/zinc/83/29/18/371832918.db2.gz JNFCOZBFCRTDFZ-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1[N@H+]1CCC1(C)C 575594566 371832927 /nfs/dbraw/zinc/83/29/27/371832927.db2.gz JNFCOZBFCRTDFZ-ZJUUUORDSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+]1CCC1(C)C 575594564 371832954 /nfs/dbraw/zinc/83/29/54/371832954.db2.gz JNFCOZBFCRTDFZ-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+]1CCC1(C)C 575594564 371832961 /nfs/dbraw/zinc/83/29/61/371832961.db2.gz JNFCOZBFCRTDFZ-UWVGGRQHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+]1CCC1(C)C 575594565 371832973 /nfs/dbraw/zinc/83/29/73/371832973.db2.gz JNFCOZBFCRTDFZ-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[N@H+]1CCC1(C)C 575594565 371832983 /nfs/dbraw/zinc/83/29/83/371832983.db2.gz JNFCOZBFCRTDFZ-VHSXEESVSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1[N@@H+]1CCC1(C)C 575594563 371833112 /nfs/dbraw/zinc/83/31/12/371833112.db2.gz JNFCOZBFCRTDFZ-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1[N@H+]1CCC1(C)C 575594563 371833118 /nfs/dbraw/zinc/83/31/18/371833118.db2.gz JNFCOZBFCRTDFZ-NXEZZACHSA-N 2 1 182.311 1.611 10 0 ADAEMP CC[C@]1(C)CC[C@@H](C[NH3+])[NH2+]C1 616568133 371868873 /nfs/dbraw/zinc/86/88/73/371868873.db2.gz DPMVOFQBGWGWBC-DTWKUNHWSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@]1(C)CC[C@H](C[NH3+])[NH2+]C1 616568132 371868917 /nfs/dbraw/zinc/86/89/17/371868917.db2.gz DPMVOFQBGWGWBC-BDAKNGLRSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@@]1(C)CC[C@@H](C[NH3+])[NH2+]C1 616568134 371868933 /nfs/dbraw/zinc/86/89/33/371868933.db2.gz DPMVOFQBGWGWBC-IUCAKERBSA-N 2 1 156.273 1.113 10 0 ADAEMP C[C@@H]([NH2+][C@H]1CC12CC2)[C@H]1CCC[NH2+]1 644166485 371877658 /nfs/dbraw/zinc/87/76/58/371877658.db2.gz OQIRIAMIEIYBAO-BBBLOLIVSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1CC12CC2)[C@@H]1CCC[NH2+]1 644166488 371877667 /nfs/dbraw/zinc/87/76/67/371877667.db2.gz OQIRIAMIEIYBAO-KXUCPTDWSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1CC12CC2)[C@@H]1CCCC[NH2+]1 644166435 371877724 /nfs/dbraw/zinc/87/77/24/371877724.db2.gz DHAKRKQKNKJIML-OUAUKWLOSA-N 2 1 194.322 1.659 10 0 ADAEMP CC[C@H]([NH2+][C@H]1CC12CC2)[C@@H]1CCC[NH2+]1 644166511 371877748 /nfs/dbraw/zinc/87/77/48/371877748.db2.gz UZKWKUVVSMNYPK-DCAQKATOSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@H]([NH2+][C@H]1CC12CC2)[C@H]1CCCC[NH2+]1 644166429 371877767 /nfs/dbraw/zinc/87/77/67/371877767.db2.gz DHAKRKQKNKJIML-AXFHLTTASA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]([NH2+][C@H]1CC12CC2)[C@@H]1CCCC[NH2+]1 644166436 371877788 /nfs/dbraw/zinc/87/77/88/371877788.db2.gz DHAKRKQKNKJIML-VWYCJHECSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1CC12CC2)[C@H]1CCC[NH2+]1 644166490 371877829 /nfs/dbraw/zinc/87/78/29/371877829.db2.gz OQIRIAMIEIYBAO-OPRDCNLKSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 644165967 371878158 /nfs/dbraw/zinc/87/81/58/371878158.db2.gz JKASYJAGTZHUCU-ZIQFBCGOSA-N 2 1 194.322 1.373 10 0 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10 0 ADAEMP C[C@H]([NH2+][C@@H]1CC12CC2)[C@H]1CCC[NH2+]1 644166487 371878704 /nfs/dbraw/zinc/87/87/04/371878704.db2.gz OQIRIAMIEIYBAO-IVZWLZJFSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@H]([NH2+][C@H]1CC12CC2)[C@H]1CCC[NH2+]1 644166484 371878814 /nfs/dbraw/zinc/87/88/14/371878814.db2.gz OQIRIAMIEIYBAO-AEJSXWLSSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@@H]([NH2+][C@@H]1CC12CC2)[C@H]1CCCC[NH2+]1 644166432 371878854 /nfs/dbraw/zinc/87/88/54/371878854.db2.gz DHAKRKQKNKJIML-GMTAPVOTSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@H]([NH2+][C@H]1CC12CC2)[C@@H]1CCC[NH2+]1 644166486 371879017 /nfs/dbraw/zinc/87/90/17/371879017.db2.gz OQIRIAMIEIYBAO-GUBZILKMSA-N 2 1 180.295 1.269 10 0 ADAEMP C[C@H]([NH2+][C@@H]1CC12CC2)[C@H]1CCCC[NH2+]1 644166433 371879264 /nfs/dbraw/zinc/87/92/64/371879264.db2.gz DHAKRKQKNKJIML-HBNTYKKESA-N 2 1 194.322 1.659 10 0 ADAEMP CC[C@@H]([NH2+][C@H]1CC12CC2)[C@@H]1CCC[NH2+]1 644166514 371879960 /nfs/dbraw/zinc/87/99/60/371879960.db2.gz UZKWKUVVSMNYPK-VWYCJHECSA-N 2 1 194.322 1.659 10 0 ADAEMP CC[C@H]([NH2+][C@@H]1CC12CC2)[C@@H]1CCC[NH2+]1 644166512 371880175 /nfs/dbraw/zinc/88/01/75/371880175.db2.gz UZKWKUVVSMNYPK-GARJFASQSA-N 2 1 194.322 1.659 10 0 ADAEMP CC[C@@H]([NH2+][C@@H]1CC12CC2)[C@@H]1CCC[NH2+]1 644166513 371880588 /nfs/dbraw/zinc/88/05/88/371880588.db2.gz UZKWKUVVSMNYPK-OUAUKWLOSA-N 2 1 194.322 1.659 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1C 645219276 371953829 /nfs/dbraw/zinc/95/38/29/371953829.db2.gz ITDSQZIHADLNAI-IJLUTSLNSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1C 645219276 371953831 /nfs/dbraw/zinc/95/38/31/371953831.db2.gz ITDSQZIHADLNAI-IJLUTSLNSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1C 645219276 371953834 /nfs/dbraw/zinc/95/38/34/371953834.db2.gz ITDSQZIHADLNAI-IJLUTSLNSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC[C@@H]1CCC[NH+]1C 645219278 371953922 /nfs/dbraw/zinc/95/39/22/371953922.db2.gz ITDSQZIHADLNAI-WOPDTQHZSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1[C@H](C)C[NH+]1CC[C@@H]1CCC[N@@H+]1C 645219278 371953927 /nfs/dbraw/zinc/95/39/27/371953927.db2.gz ITDSQZIHADLNAI-WOPDTQHZSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1[C@H](C)C[NH+]1CC[C@@H]1CCC[N@H+]1C 645219278 371953928 /nfs/dbraw/zinc/95/39/28/371953928.db2.gz ITDSQZIHADLNAI-WOPDTQHZSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1C 645219277 371954040 /nfs/dbraw/zinc/95/40/40/371954040.db2.gz ITDSQZIHADLNAI-UTUOFQBUSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1C 645219277 371954044 /nfs/dbraw/zinc/95/40/44/371954044.db2.gz ITDSQZIHADLNAI-UTUOFQBUSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1C 645219277 371954047 /nfs/dbraw/zinc/95/40/47/371954047.db2.gz ITDSQZIHADLNAI-UTUOFQBUSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1[C@H](C)C[N@H+]1CC[C@H]1CCC[NH+]1C 645219275 371954067 /nfs/dbraw/zinc/95/40/67/371954067.db2.gz ITDSQZIHADLNAI-GRYCIOLGSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1[C@H](C)C[NH+]1CC[C@H]1CCC[N@@H+]1C 645219275 371954071 /nfs/dbraw/zinc/95/40/71/371954071.db2.gz ITDSQZIHADLNAI-GRYCIOLGSA-N 2 1 196.338 1.811 10 0 ADAEMP C[C@H]1[C@H](C)C[NH+]1CC[C@H]1CCC[N@H+]1C 645219275 371954072 /nfs/dbraw/zinc/95/40/72/371954072.db2.gz ITDSQZIHADLNAI-GRYCIOLGSA-N 2 1 196.338 1.811 10 0 ADAEMP CC(C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62910895 375312682 /nfs/dbraw/zinc/31/26/82/375312682.db2.gz MHMZBUSRJXXBAQ-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 62910761 375312837 /nfs/dbraw/zinc/31/28/37/375312837.db2.gz ZHLHTPMECXYCEB-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 62910896 375313000 /nfs/dbraw/zinc/31/30/00/375313000.db2.gz MHMZBUSRJXXBAQ-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP C[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 62910762 375313034 /nfs/dbraw/zinc/31/30/34/375313034.db2.gz ZHLHTPMECXYCEB-NWDGAFQWSA-N 2 1 196.338 1.718 10 0 ADAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 62911065 375313592 /nfs/dbraw/zinc/31/35/92/375313592.db2.gz UGPKULHQCJIWIX-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 62911334 375313637 /nfs/dbraw/zinc/31/36/37/375313637.db2.gz CDSMQAXRJPSXBS-WDEREUQCSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 62911333 375313861 /nfs/dbraw/zinc/31/38/61/375313861.db2.gz CDSMQAXRJPSXBS-GHMZBOCLSA-N 2 1 182.311 1.470 10 0 ADAEMP CC1(C)CCC[N@H+]1C[C@H]1CCC[NH2+]C1 63067276 375314140 /nfs/dbraw/zinc/31/41/40/375314140.db2.gz GNCRQYMBAQAFOC-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCCC1 62911084 375314301 /nfs/dbraw/zinc/31/43/01/375314301.db2.gz JUAGJHIWSSFZPL-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCCC1 62911083 375314345 /nfs/dbraw/zinc/31/43/45/375314345.db2.gz JUAGJHIWSSFZPL-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 62911066 375314466 /nfs/dbraw/zinc/31/44/66/375314466.db2.gz UGPKULHQCJIWIX-SNVBAGLBSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1CCCCC[N@H+]1CCC[NH3+] 70408510 375332749 /nfs/dbraw/zinc/33/27/49/375332749.db2.gz QHGLQKYZLMYGDY-JTQLQIEISA-N 2 1 170.300 1.600 10 0 ADAEMP C[C@@H]1CCCCC[N@H+]1CCC[NH3+] 70408509 375333231 /nfs/dbraw/zinc/33/32/31/375333231.db2.gz QHGLQKYZLMYGDY-SNVBAGLBSA-N 2 1 170.300 1.600 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@H]1CCC[NH2+]CC1 82666885 375367636 /nfs/dbraw/zinc/36/76/36/375367636.db2.gz MHDNDMXHRAQDHF-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82669173 375367727 /nfs/dbraw/zinc/36/77/27/375367727.db2.gz YNEKKHJFMPIGQR-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CCC[NH2+]CC1 82666758 375367888 /nfs/dbraw/zinc/36/78/88/375367888.db2.gz ZSCMXPUSIQHKAX-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82666661 375367971 /nfs/dbraw/zinc/36/79/71/375367971.db2.gz WONRNJPKMOYXPM-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@@H]1CCC[NH2+]CC1 82666884 375368424 /nfs/dbraw/zinc/36/84/24/375368424.db2.gz MHDNDMXHRAQDHF-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@@H+](CC1CC1)[C@H]1CCC[NH2+]CC1 82666759 375368510 /nfs/dbraw/zinc/36/85/10/375368510.db2.gz ZSCMXPUSIQHKAX-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 82669171 375368568 /nfs/dbraw/zinc/36/85/68/375368568.db2.gz FRBIJLGANZKRCG-SNVBAGLBSA-N 2 1 170.300 1.470 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[NH2+]CC1 82669172 375368592 /nfs/dbraw/zinc/36/85/92/375368592.db2.gz FRBIJLGANZKRCG-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 82669174 375368781 /nfs/dbraw/zinc/36/87/81/375368781.db2.gz YNEKKHJFMPIGQR-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 82666662 375368919 /nfs/dbraw/zinc/36/89/19/375368919.db2.gz WONRNJPKMOYXPM-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 227609831 375423644 /nfs/dbraw/zinc/42/36/44/375423644.db2.gz UTVIAQPLKQYURU-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]([C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 238480730 375428805 /nfs/dbraw/zinc/42/88/05/375428805.db2.gz JRARACLKJKEGAR-MNOVXSKESA-N 2 1 182.311 1.613 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CCC[NH2+][C@H]1C 306612427 375455451 /nfs/dbraw/zinc/45/54/51/375455451.db2.gz IQPFYICLLAPFGJ-GXSJLCMTSA-N 2 1 193.294 1.580 10 0 ADAEMP Cc1[nH+]ccn1C[C@H]1CCC[NH2+][C@@H]1C 306612429 375455467 /nfs/dbraw/zinc/45/54/67/375455467.db2.gz IQPFYICLLAPFGJ-MWLCHTKSSA-N 2 1 193.294 1.580 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CCC[NH2+][C@H]1C 306612430 375455579 /nfs/dbraw/zinc/45/55/79/375455579.db2.gz IQPFYICLLAPFGJ-ONGXEEELSA-N 2 1 193.294 1.580 10 0 ADAEMP Cc1[nH+]ccn1C[C@@H]1CCC[NH2+][C@@H]1C 306612428 375455589 /nfs/dbraw/zinc/45/55/89/375455589.db2.gz IQPFYICLLAPFGJ-KOLCDFICSA-N 2 1 193.294 1.580 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CC2)C[NH2+]1 307338681 375468127 /nfs/dbraw/zinc/46/81/27/375468127.db2.gz VCIFJAPENJMALZ-FXPVBKGRSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+][C@H](C)C2CC2)C[NH2+]1 307338682 375468158 /nfs/dbraw/zinc/46/81/58/375468158.db2.gz VCIFJAPENJMALZ-KKZNHRDASA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 307338684 375468172 /nfs/dbraw/zinc/46/81/72/375468172.db2.gz VCIFJAPENJMALZ-YWVKMMECSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 307338683 375468235 /nfs/dbraw/zinc/46/82/35/375468235.db2.gz VCIFJAPENJMALZ-WCABBAIRSA-N 2 1 182.311 1.515 10 0 ADAEMP CC(C)(CC[NH2+][C@@H]1CC[NH2+]C1)C1CC1 328556296 375481998 /nfs/dbraw/zinc/48/19/98/375481998.db2.gz ZYCVYPMCOPSSPD-LLVKDONJSA-N 2 1 196.338 1.764 10 0 ADAEMP CC(C)(CC[NH2+][C@H]1CC[NH2+]C1)C1CC1 328556297 375482018 /nfs/dbraw/zinc/48/20/18/375482018.db2.gz ZYCVYPMCOPSSPD-NSHDSACASA-N 2 1 196.338 1.764 10 0 ADAEMP CC/C=C\C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400335844 375503125 /nfs/dbraw/zinc/50/31/25/375503125.db2.gz ABIGCKFCSOAHRV-KWKBKKAHSA-N 2 1 182.311 1.683 10 0 ADAEMP CC/C=C/C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400335851 375503194 /nfs/dbraw/zinc/50/31/94/375503194.db2.gz ABIGCKFCSOAHRV-ZJRFNNFUSA-N 2 1 182.311 1.683 10 0 ADAEMP CC/C=C\C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400335846 375503209 /nfs/dbraw/zinc/50/32/09/375503209.db2.gz ABIGCKFCSOAHRV-WQMVXFAESA-N 2 1 182.311 1.683 10 0 ADAEMP CC/C=C/C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400335848 375503868 /nfs/dbraw/zinc/50/38/68/375503868.db2.gz ABIGCKFCSOAHRV-XKFHPXPTSA-N 2 1 182.311 1.683 10 0 ADAEMP C[C@@H]([NH2+]Cc1ccco1)[C@H]1CC[NH2+]C1 400461987 375506308 /nfs/dbraw/zinc/50/63/08/375506308.db2.gz UWBYOJDNMOXHNB-ZJUUUORDSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@H]([NH2+]Cc1ccoc1)[C@H]1CC[NH2+]C1 400437924 375506341 /nfs/dbraw/zinc/50/63/41/375506341.db2.gz NGOIEANBILOXCD-ONGXEEELSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@@H]([NH2+]Cc1ccoc1)[C@H]1CC[NH2+]C1 400437921 375506494 /nfs/dbraw/zinc/50/64/94/375506494.db2.gz NGOIEANBILOXCD-KOLCDFICSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@@H]([NH2+]Cc1ccco1)[C@@H]1CC[NH2+]C1 400461979 375506600 /nfs/dbraw/zinc/50/66/00/375506600.db2.gz UWBYOJDNMOXHNB-NXEZZACHSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@H]([NH2+]Cc1ccco1)[C@@H]1CC[NH2+]C1 400461984 375506644 /nfs/dbraw/zinc/50/66/44/375506644.db2.gz UWBYOJDNMOXHNB-VHSXEESVSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@H]([NH2+]Cc1ccoc1)[C@@H]1CC[NH2+]C1 400437919 375506674 /nfs/dbraw/zinc/50/66/74/375506674.db2.gz NGOIEANBILOXCD-GXSJLCMTSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@H]([NH2+]Cc1ccco1)[C@H]1CC[NH2+]C1 400461982 375506738 /nfs/dbraw/zinc/50/67/38/375506738.db2.gz UWBYOJDNMOXHNB-UWVGGRQHSA-N 2 1 194.278 1.367 10 0 ADAEMP C[C@@H]([NH2+]Cc1ccoc1)[C@@H]1CC[NH2+]C1 400437923 375506860 /nfs/dbraw/zinc/50/68/60/375506860.db2.gz NGOIEANBILOXCD-MWLCHTKSSA-N 2 1 194.278 1.367 10 0 ADAEMP C/C=C/C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400735130 375509081 /nfs/dbraw/zinc/50/90/81/375509081.db2.gz RPKGPGJVJIEWBZ-HIHHVFROSA-N 2 1 168.284 1.293 10 0 ADAEMP C/C=C/C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400735132 375509228 /nfs/dbraw/zinc/50/92/28/375509228.db2.gz RPKGPGJVJIEWBZ-OKWQPMOJSA-N 2 1 168.284 1.293 10 0 ADAEMP C/C=C\C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400735131 375509446 /nfs/dbraw/zinc/50/94/46/375509446.db2.gz RPKGPGJVJIEWBZ-HWKXXFMVSA-N 2 1 168.284 1.293 10 0 ADAEMP C/C=C\C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400735133 375509560 /nfs/dbraw/zinc/50/95/60/375509560.db2.gz RPKGPGJVJIEWBZ-QKMQQOOLSA-N 2 1 168.284 1.293 10 0 ADAEMP C[C@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC1(C)C 575594634 375551084 /nfs/dbraw/zinc/55/10/84/375551084.db2.gz KSQYYJVTUOPACJ-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC1(C)C 575594633 375551114 /nfs/dbraw/zinc/55/11/14/375551114.db2.gz KSQYYJVTUOPACJ-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@]1(C)CCC[C@H]1[NH3+] 575594622 375551127 /nfs/dbraw/zinc/55/11/27/375551127.db2.gz KOBDDABJAZIXAR-MXWKQRLJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@]1(C)CCC[C@H]1[NH3+] 575594621 375551160 /nfs/dbraw/zinc/55/11/60/375551160.db2.gz KOBDDABJAZIXAR-GMTAPVOTSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@]1(C)CCC[C@@H]1[NH3+] 575594624 375551200 /nfs/dbraw/zinc/55/12/00/375551200.db2.gz KOBDDABJAZIXAR-VWYCJHECSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]([C@@H]1CC[NH2+]C1)[N@H+]1CCC1(C)C 575594631 375551238 /nfs/dbraw/zinc/55/12/38/375551238.db2.gz KSQYYJVTUOPACJ-NXEZZACHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([C@H]1CC[NH2+]C1)[N@H+]1CCC1(C)C 575594632 375551304 /nfs/dbraw/zinc/55/13/04/375551304.db2.gz KSQYYJVTUOPACJ-UWVGGRQHSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1CC[N@H+]1C[C@@]1(C)CCC[C@@H]1[NH3+] 575594623 375551315 /nfs/dbraw/zinc/55/13/15/375551315.db2.gz KOBDDABJAZIXAR-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]CCC[N@H+]1CCCC[C@H]1C1CCC1 647553181 375663448 /nfs/dbraw/zinc/66/34/48/375663448.db2.gz GMFDSQUOZPDHST-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CCC[N@H+]1CCCC[C@@H]1C1CCC1 647553180 375664188 /nfs/dbraw/zinc/66/41/88/375664188.db2.gz GMFDSQUOZPDHST-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP CCC[N@@H+](C)CC1CC[NH2+]CC1 37098585 409325587 /nfs/dbraw/zinc/32/55/87/409325587.db2.gz GBPRUCAHSGXVKR-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP C[C@H]([NH2+]CCC[NH3+])c1ccco1 37713222 409333333 /nfs/dbraw/zinc/33/33/33/409333333.db2.gz JBVAFWUTSZEPIR-QMMMGPOBSA-N 2 1 168.240 1.279 10 0 ADAEMP Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])o1 37713231 409333451 /nfs/dbraw/zinc/33/34/51/409333451.db2.gz ARZPUIDRCONPCH-SECBINFHSA-N 2 1 182.267 1.587 10 0 ADAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH3+] 37712310 409333470 /nfs/dbraw/zinc/33/34/70/409333470.db2.gz ILKNDZFFIZSMJP-GRYCIOLGSA-N 2 1 198.354 1.996 10 0 ADAEMP Cc1ccc([C@H](C)[NH2+]CCC[NH3+])o1 37713232 409333834 /nfs/dbraw/zinc/33/38/34/409333834.db2.gz ARZPUIDRCONPCH-VIFPVBQESA-N 2 1 182.267 1.587 10 0 ADAEMP Cc1cccc(N(C)CCC[NH3+])[nH+]1 37670346 409334897 /nfs/dbraw/zinc/33/48/97/409334897.db2.gz ASZWMMKASJYATF-UHFFFAOYSA-N 2 1 179.267 1.175 10 0 ADAEMP CC(C)C[N@@H+](C)CCC[NH2+]CC1CC1 651865879 409340946 /nfs/dbraw/zinc/34/09/46/409340946.db2.gz LDMFFMIJRAQZSS-UHFFFAOYSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH3+] 42602212 409351922 /nfs/dbraw/zinc/35/19/22/409351922.db2.gz ITOFCXVTJGHNOC-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC[NH3+] 42602211 409352476 /nfs/dbraw/zinc/35/24/76/409352476.db2.gz ITOFCXVTJGHNOC-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC[NH3+] 42602214 409352957 /nfs/dbraw/zinc/35/29/57/409352957.db2.gz ITOFCXVTJGHNOC-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCC[NH3+] 42602216 409354025 /nfs/dbraw/zinc/35/40/25/409354025.db2.gz ITOFCXVTJGHNOC-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)C 47888314 409366928 /nfs/dbraw/zinc/36/69/28/409366928.db2.gz REHHHHIHISVUTR-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[NH+](CC)[C@@H](C)C[NH2+]CC(C)C 47888312 409366939 /nfs/dbraw/zinc/36/69/39/409366939.db2.gz REHHHHIHISVUTR-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CCC[N@H+](C)CCCc1c[nH+]cn1C 653524056 409371636 /nfs/dbraw/zinc/37/16/36/409371636.db2.gz FVERZLSLMKSDOA-UHFFFAOYSA-N 2 1 195.310 1.695 10 0 ADAEMP CCC[N@@H+](C)CCCc1c[nH+]cn1C 653524056 409371638 /nfs/dbraw/zinc/37/16/38/409371638.db2.gz FVERZLSLMKSDOA-UHFFFAOYSA-N 2 1 195.310 1.695 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49708525 409373698 /nfs/dbraw/zinc/37/36/98/409373698.db2.gz WBWGGMINPRUJCC-UTLUCORTSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 50228084 409376869 /nfs/dbraw/zinc/37/68/69/409376869.db2.gz DCTLWRVJMPZDLC-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1 50228084 409376878 /nfs/dbraw/zinc/37/68/78/409376878.db2.gz DCTLWRVJMPZDLC-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 50228083 409377382 /nfs/dbraw/zinc/37/73/82/409377382.db2.gz DCTLWRVJMPZDLC-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1 50228083 409377388 /nfs/dbraw/zinc/37/73/88/409377388.db2.gz DCTLWRVJMPZDLC-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 50245537 409380313 /nfs/dbraw/zinc/38/03/13/409380313.db2.gz WZFYVSZCPMOOSQ-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 50245538 409380484 /nfs/dbraw/zinc/38/04/84/409380484.db2.gz WZFYVSZCPMOOSQ-WDEREUQCSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[NH2+]CC[NH2+][C@H](C)C(C)C 53387959 409386206 /nfs/dbraw/zinc/38/62/06/409386206.db2.gz DFZCYQDNFPWJKX-SECBINFHSA-N 2 1 158.289 1.230 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+]C(C1CC1)C1CC1 54077133 409387650 /nfs/dbraw/zinc/38/76/50/409387650.db2.gz ATILHKIIRCNBOL-QMMMGPOBSA-N 2 1 182.311 1.373 10 0 ADAEMP C[NH2+][C@H](C)C[NH2+]C(C1CC1)C1CC1 54077134 409388142 /nfs/dbraw/zinc/38/81/42/409388142.db2.gz ATILHKIIRCNBOL-MRVPVSSYSA-N 2 1 182.311 1.373 10 0 ADAEMP CC[NH2+]CC[NH2+][C@@H](C)C(C)C 53387956 409388365 /nfs/dbraw/zinc/38/83/65/409388365.db2.gz DFZCYQDNFPWJKX-VIFPVBQESA-N 2 1 158.289 1.230 10 0 ADAEMP CC[NH2+]CCNc1cc(C)[nH+]c(C)n1 54267259 409392168 /nfs/dbraw/zinc/39/21/68/409392168.db2.gz MECAPNKMFLBAAV-UHFFFAOYSA-N 2 1 194.282 1.115 10 0 ADAEMP CCCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62910835 409401664 /nfs/dbraw/zinc/40/16/64/409401664.db2.gz SSNZJLNAFFDQAP-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911144 409403432 /nfs/dbraw/zinc/40/34/32/409403432.db2.gz DPOAPVABSMDHEF-NWDGAFQWSA-N 2 1 198.354 1.964 10 0 ADAEMP C[N@@H+](CC(C)(C)C)C[C@]1(C)CC[NH2+]C1 62912172 409403269 /nfs/dbraw/zinc/40/32/69/409403269.db2.gz ZDQSIDNMRGZDPE-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 62911114 409403330 /nfs/dbraw/zinc/40/33/30/409403330.db2.gz APXSKZIFDAUMAG-NSHDSACASA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CCC[N@H+]1CCCC1(C)C 63066950 409403369 /nfs/dbraw/zinc/40/33/69/409403369.db2.gz HLEUGWRGNHIWIX-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 62911346 409403470 /nfs/dbraw/zinc/40/34/70/409403470.db2.gz FDXYNLPKWKSWGC-LLVKDONJSA-N 2 1 182.311 1.328 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911639 409403573 /nfs/dbraw/zinc/40/35/73/409403573.db2.gz XFSUZZWJXKSAPB-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911227 409403619 /nfs/dbraw/zinc/40/36/19/409403619.db2.gz WUFUEAFRAHKQLJ-CMPLNLGQSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911228 409403760 /nfs/dbraw/zinc/40/37/60/409403760.db2.gz WUFUEAFRAHKQLJ-ZYHUDNBSSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[N@@H+](CC)C[C@@]1(C)CC[NH2+]C1 62911090 409403826 /nfs/dbraw/zinc/40/38/26/409403826.db2.gz CNDVBUIJFOZWID-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@]1(C)CC[NH2+]C1 62911125 409403937 /nfs/dbraw/zinc/40/39/37/409403937.db2.gz UWRVTFZADBTRJI-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@]1(C)CC[NH2+]C1 62911126 409404080 /nfs/dbraw/zinc/40/40/80/409404080.db2.gz UWRVTFZADBTRJI-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911143 409404211 /nfs/dbraw/zinc/40/42/11/409404211.db2.gz DPOAPVABSMDHEF-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911113 409404701 /nfs/dbraw/zinc/40/47/01/409404701.db2.gz APXSKZIFDAUMAG-LLVKDONJSA-N 2 1 184.327 1.574 10 0 ADAEMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 62911060 409404302 /nfs/dbraw/zinc/40/43/02/409404302.db2.gz AAPZJMCCSKULRF-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911120 409404618 /nfs/dbraw/zinc/40/46/18/409404618.db2.gz PYVKDUHULCRUKH-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911107 409404715 /nfs/dbraw/zinc/40/47/15/409404715.db2.gz KGUNCKRASSGDRW-SNVBAGLBSA-N 2 1 170.300 1.328 10 0 ADAEMP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 62911101 409404740 /nfs/dbraw/zinc/40/47/40/409404740.db2.gz OHHIRRIWCFCXKK-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CC1 62911102 409405021 /nfs/dbraw/zinc/40/50/21/409405021.db2.gz OHHIRRIWCFCXKK-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CCCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 62910836 409404798 /nfs/dbraw/zinc/40/47/98/409404798.db2.gz SSNZJLNAFFDQAP-NSHDSACASA-N 2 1 184.327 1.718 10 0 ADAEMP C[N@@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 62911345 409404872 /nfs/dbraw/zinc/40/48/72/409404872.db2.gz FDXYNLPKWKSWGC-NSHDSACASA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[N@@H+](CC)C[C@]1(C)CC[NH2+]C1 62911089 409404889 /nfs/dbraw/zinc/40/48/89/409404889.db2.gz CNDVBUIJFOZWID-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC(C)CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 62911640 409404918 /nfs/dbraw/zinc/40/49/18/409404918.db2.gz XFSUZZWJXKSAPB-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911233 409404932 /nfs/dbraw/zinc/40/49/32/409404932.db2.gz LTGLAWUCOCHTCW-VXGBXAGGSA-N 2 1 198.354 1.962 10 0 ADAEMP C[N@@H+](CC(C)(C)C)C[C@@]1(C)CC[NH2+]C1 62912171 409404943 /nfs/dbraw/zinc/40/49/43/409404943.db2.gz ZDQSIDNMRGZDPE-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@]1(C)CC[NH2+]C1 62911119 409405057 /nfs/dbraw/zinc/40/50/57/409405057.db2.gz PYVKDUHULCRUKH-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CC1 62911059 409405111 /nfs/dbraw/zinc/40/51/11/409405111.db2.gz AAPZJMCCSKULRF-LLVKDONJSA-N 2 1 182.311 1.470 10 0 ADAEMP CCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 62911108 409405155 /nfs/dbraw/zinc/40/51/55/409405155.db2.gz KGUNCKRASSGDRW-JTQLQIEISA-N 2 1 170.300 1.328 10 0 ADAEMP Cc1cc(NCC[C@@H](C)[NH3+])nc(C)[nH+]1 63171664 409406308 /nfs/dbraw/zinc/40/63/08/409406308.db2.gz LQLSLLSUWWUVOE-SSDOTTSWSA-N 2 1 194.282 1.243 10 0 ADAEMP CC[N@@H+](CCC[NH2+]C)CC1CC1 68946866 409407195 /nfs/dbraw/zinc/40/71/95/409407195.db2.gz HCSFTMLSSZVJCJ-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@]1(C)CC[NH2+]C1 68947579 409409300 /nfs/dbraw/zinc/40/93/00/409409300.db2.gz SGMZDCRYJUTKEB-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@]1(C)CC[NH2+]C1 68947581 409409398 /nfs/dbraw/zinc/40/93/98/409409398.db2.gz SGMZDCRYJUTKEB-LBPRGKRZSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@@H]1CCC[NH2+]CC1 68948761 409409821 /nfs/dbraw/zinc/40/98/21/409409821.db2.gz NKNCSIRJDRSYMA-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](CC1CC1)[C@H]1CCC[NH2+]CC1 68948763 409410050 /nfs/dbraw/zinc/41/00/50/409410050.db2.gz NKNCSIRJDRSYMA-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH3+]CC[N@@H+]1CCC[C@@H]1CC1CCCC1 655949142 409419671 /nfs/dbraw/zinc/41/96/71/409419671.db2.gz NQWZJWYFANGHBL-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CC[N@H+]1CCC[C@@H]1CC1CCCC1 655949142 409419677 /nfs/dbraw/zinc/41/96/77/409419677.db2.gz NQWZJWYFANGHBL-GFCCVEGCSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CC[N@@H+]1CCC[C@H]1CC1CCCC1 655949143 409420085 /nfs/dbraw/zinc/42/00/85/409420085.db2.gz NQWZJWYFANGHBL-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]CC[N@H+]1CCC[C@H]1CC1CCCC1 655949143 409420088 /nfs/dbraw/zinc/42/00/88/409420088.db2.gz NQWZJWYFANGHBL-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[N@@H+]1CC2CCC1(C[NH3+])CC2 655943086 409420648 /nfs/dbraw/zinc/42/06/48/409420648.db2.gz FRUJMYBQAQFLJF-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC[N@H+]1CC2CCC1(C[NH3+])CC2 655943086 409420654 /nfs/dbraw/zinc/42/06/54/409420654.db2.gz FRUJMYBQAQFLJF-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@@H](CCF)C1 656792485 409452088 /nfs/dbraw/zinc/45/20/88/409452088.db2.gz RIAZOEIHMIFBJI-JTQLQIEISA-N 2 1 188.290 1.407 10 0 ADAEMP [NH3+]C1(C[NH2+]CC2(F)CC2)CCCC1 656789143 409452428 /nfs/dbraw/zinc/45/24/28/409452428.db2.gz KQRMYPRXBQILBI-UHFFFAOYSA-N 2 1 186.274 1.350 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@H](CCF)C1 656792488 409452568 /nfs/dbraw/zinc/45/25/68/409452568.db2.gz RIAZOEIHMIFBJI-SNVBAGLBSA-N 2 1 188.290 1.407 10 0 ADAEMP CC(C)[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 108307333 409458359 /nfs/dbraw/zinc/45/83/59/409458359.db2.gz ZKLNDTPQHZUMOW-NEPJUHHUSA-N 2 1 196.338 1.574 10 0 ADAEMP C[NH2+]CCC[N@H+]1CC[C@H](C(C)C)C1 108297510 409458559 /nfs/dbraw/zinc/45/85/59/409458559.db2.gz SJJUGHFEYVKZHJ-NSHDSACASA-N 2 1 184.327 1.574 10 0 ADAEMP C[NH2+]CCC[N@H+]1CC[C@@H](C(C)C)C1 108297509 409459123 /nfs/dbraw/zinc/45/91/23/409459123.db2.gz SJJUGHFEYVKZHJ-LLVKDONJSA-N 2 1 184.327 1.574 10 0 ADAEMP CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 108307331 409460098 /nfs/dbraw/zinc/46/00/98/409460098.db2.gz ZKLNDTPQHZUMOW-VXGBXAGGSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 118854704 409465885 /nfs/dbraw/zinc/46/58/85/409465885.db2.gz ZFXYNEBVBKIWMM-IVZWLZJFSA-N 2 1 168.284 1.064 10 0 ADAEMP C[NH2+]CCC[N@@H+]1CCS[C@@H](C)C1 123640205 409467798 /nfs/dbraw/zinc/46/77/98/409467798.db2.gz PEEGEERINAXCRG-VIFPVBQESA-N 2 1 188.340 1.033 10 0 ADAEMP C[NH2+]CCC[N@H+]1CCS[C@@H](C)C1 123640205 409467806 /nfs/dbraw/zinc/46/78/06/409467806.db2.gz PEEGEERINAXCRG-VIFPVBQESA-N 2 1 188.340 1.033 10 0 ADAEMP FC(F)(F)CCC[NH2+][C@H]1CC[NH2+]C1 123998482 409470994 /nfs/dbraw/zinc/47/09/94/409470994.db2.gz IJDOVHRGFJYNDW-ZETCQYMHSA-N 2 1 196.216 1.280 10 0 ADAEMP FC(F)(F)CCC[NH2+][C@@H]1CC[NH2+]C1 123998230 409471276 /nfs/dbraw/zinc/47/12/76/409471276.db2.gz IJDOVHRGFJYNDW-SSDOTTSWSA-N 2 1 196.216 1.280 10 0 ADAEMP CCC[C@@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 130829555 409483271 /nfs/dbraw/zinc/48/32/71/409483271.db2.gz DCTLWRVJMPZDLC-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 130829555 409483274 /nfs/dbraw/zinc/48/32/74/409483274.db2.gz DCTLWRVJMPZDLC-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 130829771 409483657 /nfs/dbraw/zinc/48/36/57/409483657.db2.gz DCTLWRVJMPZDLC-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 130829771 409483662 /nfs/dbraw/zinc/48/36/62/409483662.db2.gz DCTLWRVJMPZDLC-VHSXEESVSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH+]1CCC([NH2+][C@H]2[C@H]3CCC[C@H]32)CC1 657737891 409491477 /nfs/dbraw/zinc/49/14/77/409491477.db2.gz QLBHFARARWWQRQ-ZSBIGDGJSA-N 2 1 194.322 1.469 10 0 ADAEMP C[N@@H+](CCCF)[C@@H]1CCC[NH2+]CC1 213360324 409511869 /nfs/dbraw/zinc/51/18/69/409511869.db2.gz XHNUFSCOSYUUHR-SNVBAGLBSA-N 2 1 188.290 1.420 10 0 ADAEMP C[N@@H+](CCCF)[C@H]1CCC[NH2+]CC1 213360388 409511953 /nfs/dbraw/zinc/51/19/53/409511953.db2.gz XHNUFSCOSYUUHR-JTQLQIEISA-N 2 1 188.290 1.420 10 0 ADAEMP C1CCC(CCC[NH2+][C@H]2CC[NH2+]C2)C1 218786563 409514747 /nfs/dbraw/zinc/51/47/47/409514747.db2.gz XUZQGYZYERPQPV-LBPRGKRZSA-N 2 1 196.338 1.908 10 0 ADAEMP C1CCC(CCC[NH2+][C@@H]2CC[NH2+]C2)C1 218786493 409515094 /nfs/dbraw/zinc/51/50/94/409515094.db2.gz XUZQGYZYERPQPV-GFCCVEGCSA-N 2 1 196.338 1.908 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219854797 409515940 /nfs/dbraw/zinc/51/59/40/409515940.db2.gz PYVKDUHULCRUKH-MNOVXSKESA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219855320 409516531 /nfs/dbraw/zinc/51/65/31/409516531.db2.gz DPOAPVABSMDHEF-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219856645 409516574 /nfs/dbraw/zinc/51/65/74/409516574.db2.gz WUFUEAFRAHKQLJ-PWSUYJOCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219856592 409516938 /nfs/dbraw/zinc/51/69/38/409516938.db2.gz WUFUEAFRAHKQLJ-JQWIXIFHSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@H](C)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219855365 409517010 /nfs/dbraw/zinc/51/70/10/409517010.db2.gz DPOAPVABSMDHEF-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)[C@@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219856736 409517063 /nfs/dbraw/zinc/51/70/63/409517063.db2.gz LTGLAWUCOCHTCW-NEPJUHHUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219854847 409517629 /nfs/dbraw/zinc/51/76/29/409517629.db2.gz PYVKDUHULCRUKH-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C 219843844 409518009 /nfs/dbraw/zinc/51/80/09/409518009.db2.gz PIKYFDPHDAVRNN-TUAOUCFPSA-N 2 1 196.338 1.574 10 0 ADAEMP CC(C)[C@H](C)[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 219856788 409518204 /nfs/dbraw/zinc/51/82/04/409518204.db2.gz LTGLAWUCOCHTCW-RYUDHWBXSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 300390234 409531787 /nfs/dbraw/zinc/53/17/87/409531787.db2.gz TUZAHYHCGUYQDW-BBBLOLIVSA-N 2 1 168.284 1.127 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300050048 409532377 /nfs/dbraw/zinc/53/23/77/409532377.db2.gz WSOWNBVEOUOQEK-LPEHRKFASA-N 2 1 170.300 1.312 10 0 ADAEMP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[NH2+]C1 300390236 409532691 /nfs/dbraw/zinc/53/26/91/409532691.db2.gz TUZAHYHCGUYQDW-UTLUCORTSA-N 2 1 168.284 1.127 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 300050046 409532760 /nfs/dbraw/zinc/53/27/60/409532760.db2.gz WSOWNBVEOUOQEK-GUBZILKMSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC(CC)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300050341 409533587 /nfs/dbraw/zinc/53/35/87/409533587.db2.gz ZACLFJIWNVQKNF-GXSJLCMTSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[NH2+]C1 300390235 409533848 /nfs/dbraw/zinc/53/38/48/409533848.db2.gz TUZAHYHCGUYQDW-KXUCPTDWSA-N 2 1 168.284 1.127 10 0 ADAEMP CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300853664 409535603 /nfs/dbraw/zinc/53/56/03/409535603.db2.gz FPUCCFNEFAUXCR-SDDRHHMPSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 300853670 409535638 /nfs/dbraw/zinc/53/56/38/409535638.db2.gz FPUCCFNEFAUXCR-TUAOUCFPSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)C[C@H](C)C[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 300853668 409538157 /nfs/dbraw/zinc/53/81/57/409538157.db2.gz FPUCCFNEFAUXCR-SRVKXCTJSA-N 2 1 198.354 1.948 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 306261992 409551191 /nfs/dbraw/zinc/55/11/91/409551191.db2.gz XTJMUKCMFRAHAX-HBNTYKKESA-N 2 1 184.327 1.761 10 0 ADAEMP C[N@H+](CC1(F)CC1)C1CC[NH2+]CC1 306303040 409555475 /nfs/dbraw/zinc/55/54/75/409555475.db2.gz NXBDBIHHEUUZJJ-UHFFFAOYSA-N 2 1 186.274 1.172 10 0 ADAEMP C[N@@H+](CC1(F)CC1)C1CC[NH2+]CC1 306303040 409555480 /nfs/dbraw/zinc/55/54/80/409555480.db2.gz NXBDBIHHEUUZJJ-UHFFFAOYSA-N 2 1 186.274 1.172 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]12 306297999 409555847 /nfs/dbraw/zinc/55/58/47/409555847.db2.gz DFOAGUIITMDKGT-QJPTWQEYSA-N 2 1 194.322 1.456 10 0 ADAEMP CCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 306370346 409560180 /nfs/dbraw/zinc/56/01/80/409560180.db2.gz GJRACQFPLCJKDW-GARJFASQSA-N 2 1 182.311 1.456 10 0 ADAEMP CCCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 306370341 409560382 /nfs/dbraw/zinc/56/03/82/409560382.db2.gz GJRACQFPLCJKDW-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2(F)CC2)C1 306353549 409561429 /nfs/dbraw/zinc/56/14/29/409561429.db2.gz AYQOGNKQDPNJFF-BDAKNGLRSA-N 2 1 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1.702 10 0 ADAEMP CC1(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CCC1 306396192 409563996 /nfs/dbraw/zinc/56/39/96/409563996.db2.gz KCCFJTPFTDBGGM-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP CC1(C[N@H+]2CC[C@](C)(C[NH3+])C2)CCC1 306396190 409564061 /nfs/dbraw/zinc/56/40/61/409564061.db2.gz KCCFJTPFTDBGGM-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP CC[C@H](C)C[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 306407373 409565574 /nfs/dbraw/zinc/56/55/74/409565574.db2.gz YRDAJXWKXCVCPE-NNYUYHANSA-N 2 1 196.338 1.702 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3(F)CC3)C[C@@H]12 306392753 409565613 /nfs/dbraw/zinc/56/56/13/409565613.db2.gz DKAUAMNAALWFCY-IVZWLZJFSA-N 2 1 198.285 1.158 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]21 306721087 409582341 /nfs/dbraw/zinc/58/23/41/409582341.db2.gz DFOAGUIITMDKGT-IJLUTSLNSA-N 2 1 194.322 1.456 10 0 ADAEMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C[C@H]1C 306690227 409582635 /nfs/dbraw/zinc/58/26/35/409582635.db2.gz OWDHRQLRIYWHGU-RHYQMDGZSA-N 2 1 196.338 1.763 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)[C@@H]1C 306690229 409582872 /nfs/dbraw/zinc/58/28/72/409582872.db2.gz OWDHRQLRIYWHGU-WYUUTHIRSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306693321 409583296 /nfs/dbraw/zinc/58/32/96/409583296.db2.gz RCQYFNFADSPZKC-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]12 306721091 409583365 /nfs/dbraw/zinc/58/33/65/409583365.db2.gz DFOAGUIITMDKGT-SDDRHHMPSA-N 2 1 194.322 1.456 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2CC1 306693319 409583681 /nfs/dbraw/zinc/58/36/81/409583681.db2.gz RCQYFNFADSPZKC-SDDRHHMPSA-N 2 1 196.338 1.716 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 306721083 409583701 /nfs/dbraw/zinc/58/37/01/409583701.db2.gz DFOAGUIITMDKGT-GRYCIOLGSA-N 2 1 194.322 1.456 10 0 ADAEMP CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 306759474 409586151 /nfs/dbraw/zinc/58/61/51/409586151.db2.gz VLNVAUFKTUBJJS-LPEHRKFASA-N 2 1 170.300 1.373 10 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[NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC3(F)CC3)C[C@H]21 306772362 409590900 /nfs/dbraw/zinc/59/09/00/409590900.db2.gz DKAUAMNAALWFCY-OPRDCNLKSA-N 2 1 198.285 1.158 10 0 ADAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC3(F)CC3)C[C@H]12 306772361 409591085 /nfs/dbraw/zinc/59/10/85/409591085.db2.gz DKAUAMNAALWFCY-LPEHRKFASA-N 2 1 198.285 1.158 10 0 ADAEMP Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc(C)[nH+]1 306813290 409594074 /nfs/dbraw/zinc/59/40/74/409594074.db2.gz AKFYCKKMPPTIJB-SFYZADRCSA-N 2 1 194.282 1.241 10 0 ADAEMP Cc1cc(N[C@H](C)[C@H](C)[NH3+])nc(C)[nH+]1 306813286 409594613 /nfs/dbraw/zinc/59/46/13/409594613.db2.gz AKFYCKKMPPTIJB-JGVFFNPUSA-N 2 1 194.282 1.241 10 0 ADAEMP Cc1cc(N[C@H](C)[C@@H](C)[NH3+])nc(C)[nH+]1 306813283 409595124 /nfs/dbraw/zinc/59/51/24/409595124.db2.gz AKFYCKKMPPTIJB-HTQZYQBOSA-N 2 1 194.282 1.241 10 0 ADAEMP Cc1cc(N[C@@H](C)[C@H](C)[NH3+])nc(C)[nH+]1 306813294 409596019 /nfs/dbraw/zinc/59/60/19/409596019.db2.gz AKFYCKKMPPTIJB-YUMQZZPRSA-N 2 1 194.282 1.241 10 0 ADAEMP CC(C)[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 306863558 409599479 /nfs/dbraw/zinc/59/94/79/409599479.db2.gz JZWXLJMPNXUHGZ-GRYCIOLGSA-N 2 1 198.354 1.948 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C[C@]1(C)CC[NH2+]C1 307027839 409607871 /nfs/dbraw/zinc/60/78/71/409607871.db2.gz MEKGIKZFPRVLNH-GRYCIOLGSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C[C@@]1(C)CC[NH2+]C1 307027843 409609115 /nfs/dbraw/zinc/60/91/15/409609115.db2.gz MEKGIKZFPRVLNH-WOPDTQHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H]1C 307027840 409609267 /nfs/dbraw/zinc/60/92/67/409609267.db2.gz MEKGIKZFPRVLNH-IJLUTSLNSA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@@H+](CC1(C)CCC1)C1CC([NH3+])C1 307041924 409609902 /nfs/dbraw/zinc/60/99/02/409609902.db2.gz LHZZRFVQWODYQI-UHFFFAOYSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H]1C 307027841 409609972 /nfs/dbraw/zinc/60/99/72/409609972.db2.gz MEKGIKZFPRVLNH-UTUOFQBUSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307071324 409612036 /nfs/dbraw/zinc/61/20/36/409612036.db2.gz GISWBDLMVCFJSK-ROHXPCBUSA-N 2 1 194.322 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 307071323 409613211 /nfs/dbraw/zinc/61/32/11/409613211.db2.gz GISWBDLMVCFJSK-IYKVGLELSA-N 2 1 194.322 1.312 10 0 ADAEMP C[C@H]1[C@H](C)C[C@H]1[NH2+]C1CC[NH+](C)CC1 307098591 409616048 /nfs/dbraw/zinc/61/60/48/409616048.db2.gz FGDCCEZPESCXKH-JFGNBEQYSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 307105164 409616757 /nfs/dbraw/zinc/61/67/57/409616757.db2.gz JJQMOUVEEAMRFI-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1C 307098590 409616843 /nfs/dbraw/zinc/61/68/43/409616843.db2.gz FGDCCEZPESCXKH-FOGDFJRCSA-N 2 1 196.338 1.715 10 0 ADAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1(F)CC1 307107909 409616916 /nfs/dbraw/zinc/61/69/16/409616916.db2.gz ZQHFRFGCLNUMFQ-RKDXNWHRSA-N 2 1 186.274 1.158 10 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C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2(C)CCC2)C1 307152824 409621120 /nfs/dbraw/zinc/62/11/20/409621120.db2.gz ZDJGFLBWUIHYHP-QWRGUYRKSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C 307152315 409621264 /nfs/dbraw/zinc/62/12/64/409621264.db2.gz XTJMUKCMFRAHAX-DCAQKATOSA-N 2 1 184.327 1.761 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2(C)CCC2)C1 307152825 409622107 /nfs/dbraw/zinc/62/21/07/409622107.db2.gz ZDJGFLBWUIHYHP-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C 307152314 409622464 /nfs/dbraw/zinc/62/24/64/409622464.db2.gz XTJMUKCMFRAHAX-AXFHLTTASA-N 2 1 184.327 1.761 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307156683 409623565 /nfs/dbraw/zinc/62/35/65/409623565.db2.gz GISWBDLMVCFJSK-LVEVGFFFSA-N 2 1 194.322 1.312 10 0 ADAEMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307156670 409623621 /nfs/dbraw/zinc/62/36/21/409623621.db2.gz GISWBDLMVCFJSK-CSYMLDBXSA-N 2 1 194.322 1.312 10 0 ADAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1C 307205914 409626413 /nfs/dbraw/zinc/62/64/13/409626413.db2.gz HZDWROPHMZRDKE-ROHXPCBUSA-N 2 1 196.338 1.761 10 0 ADAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C 307205911 409626454 /nfs/dbraw/zinc/62/64/54/409626454.db2.gz HZDWROPHMZRDKE-IIRVCBMXSA-N 2 1 196.338 1.761 10 0 ADAEMP FC1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 307205803 409626825 /nfs/dbraw/zinc/62/68/25/409626825.db2.gz JZJVJJGNNROHKS-SNVBAGLBSA-N 2 1 198.285 1.174 10 0 ADAEMP FC1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 307205803 409626830 /nfs/dbraw/zinc/62/68/30/409626830.db2.gz JZJVJJGNNROHKS-SNVBAGLBSA-N 2 1 198.285 1.174 10 0 ADAEMP FC1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 307205577 409626909 /nfs/dbraw/zinc/62/69/09/409626909.db2.gz JZJVJJGNNROHKS-JTQLQIEISA-N 2 1 198.285 1.174 10 0 ADAEMP FC1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 307205577 409626912 /nfs/dbraw/zinc/62/69/12/409626912.db2.gz JZJVJJGNNROHKS-JTQLQIEISA-N 2 1 198.285 1.174 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@@H](C)[C@H]1C 307205915 409627061 /nfs/dbraw/zinc/62/70/61/409627061.db2.gz HZDWROPHMZRDKE-ZIQFBCGOSA-N 2 1 196.338 1.761 10 0 ADAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C 307205912 409627259 /nfs/dbraw/zinc/62/72/59/409627259.db2.gz HZDWROPHMZRDKE-OOCWMUITSA-N 2 1 196.338 1.761 10 0 ADAEMP CC(C)CC[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 307356487 409637951 /nfs/dbraw/zinc/63/79/51/409637951.db2.gz VHBONULCCQEZBP-QJPTWQEYSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307356489 409637778 /nfs/dbraw/zinc/63/77/78/409637778.db2.gz VHBONULCCQEZBP-SRVKXCTJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307356488 409637934 /nfs/dbraw/zinc/63/79/34/409637934.db2.gz VHBONULCCQEZBP-SDDRHHMPSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)CC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 307356490 409638315 /nfs/dbraw/zinc/63/83/15/409638315.db2.gz VHBONULCCQEZBP-TUAOUCFPSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCCC[NH2+]1 307417177 409644603 /nfs/dbraw/zinc/64/46/03/409644603.db2.gz LPBQFIFQSWBSHE-RCWTZXSCSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 307417185 409645816 /nfs/dbraw/zinc/64/58/16/409645816.db2.gz LPBQFIFQSWBSHE-ZNSHCXBVSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 307417173 409645912 /nfs/dbraw/zinc/64/59/12/409645912.db2.gz LPBQFIFQSWBSHE-DBIOUOCHSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CCCC[NH2+]1 307417181 409646247 /nfs/dbraw/zinc/64/62/47/409646247.db2.gz LPBQFIFQSWBSHE-YTWAJWBKSA-N 2 1 182.311 1.515 10 0 ADAEMP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCC[NH2+]1 307504877 409651218 /nfs/dbraw/zinc/65/12/18/409651218.db2.gz PSMSHJOGTPUSAU-KATARQTJSA-N 2 1 168.284 1.125 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 307506780 409651601 /nfs/dbraw/zinc/65/16/01/409651601.db2.gz YRDAJXWKXCVCPE-FIQHERPVSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 307504875 409651691 /nfs/dbraw/zinc/65/16/91/409651691.db2.gz PSMSHJOGTPUSAU-IMSYWVGJSA-N 2 1 168.284 1.125 10 0 ADAEMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 307506779 409651745 /nfs/dbraw/zinc/65/17/45/409651745.db2.gz YRDAJXWKXCVCPE-BJDJZHNGSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[C@@H]1[NH2+][C@H](C)[C@H]1CCC[NH2+]1 307504878 409652032 /nfs/dbraw/zinc/65/20/32/409652032.db2.gz PSMSHJOGTPUSAU-KYXWUPHJSA-N 2 1 168.284 1.125 10 0 ADAEMP C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CCC[NH2+]1 307504880 409652529 /nfs/dbraw/zinc/65/25/29/409652529.db2.gz PSMSHJOGTPUSAU-RGOKHQFPSA-N 2 1 168.284 1.125 10 0 ADAEMP C[C@H](CCC(C)(C)C)[NH2+]CC[NH3+] 307996537 409676793 /nfs/dbraw/zinc/67/67/93/409676793.db2.gz CDSLMUPKZUOEQJ-SECBINFHSA-N 2 1 172.316 1.750 10 0 ADAEMP C[C@@H](CCC(C)(C)C)[NH2+]CC[NH3+] 307996538 409677193 /nfs/dbraw/zinc/67/71/93/409677193.db2.gz CDSLMUPKZUOEQJ-VIFPVBQESA-N 2 1 172.316 1.750 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCCCCF 308178461 409691033 /nfs/dbraw/zinc/69/10/33/409691033.db2.gz GGNTVZWWFFBYJS-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCC1(C)C 308041829 409680244 /nfs/dbraw/zinc/68/02/44/409680244.db2.gz NRDAPAIAQQZEIB-DTWKUNHWSA-N 2 1 170.300 1.373 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H]1CCC1(C)C 308041830 409680644 /nfs/dbraw/zinc/68/06/44/409680644.db2.gz NRDAPAIAQQZEIB-IUCAKERBSA-N 2 1 170.300 1.373 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCCCF 308178461 409691026 /nfs/dbraw/zinc/69/10/26/409691026.db2.gz GGNTVZWWFFBYJS-JTQLQIEISA-N 2 1 188.290 1.549 10 0 ADAEMP [NH3+]C[C@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662244103 409700367 /nfs/dbraw/zinc/70/03/67/409700367.db2.gz BSXWUSDMRCDPNW-WISYIIOYSA-N 2 1 194.322 1.313 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239455 409700789 /nfs/dbraw/zinc/70/07/89/409700789.db2.gz CNEFSPDZPZVSBV-WRWGMCAJSA-N 2 1 194.322 1.326 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239455 409700801 /nfs/dbraw/zinc/70/08/01/409700801.db2.gz CNEFSPDZPZVSBV-WRWGMCAJSA-N 2 1 194.322 1.326 10 0 ADAEMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662244104 409702067 /nfs/dbraw/zinc/70/20/67/409702067.db2.gz BSXWUSDMRCDPNW-YFKTTZPYSA-N 2 1 194.322 1.313 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239454 409702470 /nfs/dbraw/zinc/70/24/70/409702470.db2.gz CNEFSPDZPZVSBV-USZNOCQGSA-N 2 1 194.322 1.326 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C1 662239454 409702473 /nfs/dbraw/zinc/70/24/73/409702473.db2.gz CNEFSPDZPZVSBV-USZNOCQGSA-N 2 1 194.322 1.326 10 0 ADAEMP CC12CC(C[N@H+]1CC1CC[NH2+]CC1)C2 662233381 409703170 /nfs/dbraw/zinc/70/31/70/409703170.db2.gz DXVJXFCYFSUDTH-UHFFFAOYSA-N 2 1 194.322 1.470 10 0 ADAEMP CC(C)=CCC[N@@H+](C)CCC[NH3+] 662243500 409703359 /nfs/dbraw/zinc/70/33/59/409703359.db2.gz DACKSWKNCOQBPH-UHFFFAOYSA-N 2 1 170.300 1.623 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C[C@@H]1[NH3+] 662275614 409705646 /nfs/dbraw/zinc/70/56/46/409705646.db2.gz CYWMTMYOMZOUHP-ZIQFBCGOSA-N 2 1 194.322 1.312 10 0 ADAEMP CC(C)=CCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 662275531 409706016 /nfs/dbraw/zinc/70/60/16/409706016.db2.gz BUFGXJJNKJUHNF-WDEREUQCSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 662275527 409706960 /nfs/dbraw/zinc/70/69/60/409706960.db2.gz BUFGXJJNKJUHNF-MNOVXSKESA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CCC[N@@H+]1C[C@H](C)[C@@H]([NH3+])C1 662275529 409707322 /nfs/dbraw/zinc/70/73/22/409707322.db2.gz BUFGXJJNKJUHNF-QWRGUYRKSA-N 2 1 182.311 1.622 10 0 ADAEMP C(C[NH2+][C@H]1CC[NH2+]C1)CC1CCC1 662263396 409707404 /nfs/dbraw/zinc/70/74/04/409707404.db2.gz AMZXWYKKEADZBP-NSHDSACASA-N 2 1 182.311 1.518 10 0 ADAEMP C(C[NH2+][C@@H]1CC[NH2+]C1)CC1CCC1 662263394 409707502 /nfs/dbraw/zinc/70/75/02/409707502.db2.gz AMZXWYKKEADZBP-LLVKDONJSA-N 2 1 182.311 1.518 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@@H+]1CCCC1CCC1 662247411 409707850 /nfs/dbraw/zinc/70/78/50/409707850.db2.gz ZYCZGMRTOSXACQ-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP [NH3+]C[C@@H]1CCC[N@H+]1CCCC1CCC1 662247411 409707851 /nfs/dbraw/zinc/70/78/51/409707851.db2.gz ZYCZGMRTOSXACQ-LBPRGKRZSA-N 2 1 196.338 1.990 10 0 ADAEMP C[N@@H+](C[C@H]1C[C@@H]2C[C@@H]2C1)C1CC([NH3+])C1 662273012 409707895 /nfs/dbraw/zinc/70/78/95/409707895.db2.gz JJOXUNACFZYPNU-BWIOIVMUSA-N 2 1 194.322 1.454 10 0 ADAEMP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1[NH3+] 662275682 409709493 /nfs/dbraw/zinc/70/94/93/409709493.db2.gz DHYCOJHCUGVTOO-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1[NH3+] 662275682 409709499 /nfs/dbraw/zinc/70/94/99/409709499.db2.gz DHYCOJHCUGVTOO-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)=CCC[N@H+](C)CC[NH3+] 662280263 409710265 /nfs/dbraw/zinc/71/02/65/409710265.db2.gz BXWPUHJLJMXSMZ-UHFFFAOYSA-N 2 1 156.273 1.233 10 0 ADAEMP CC(C)=CCC[N@@H+](C)CC[NH3+] 662280263 409710273 /nfs/dbraw/zinc/71/02/73/409710273.db2.gz BXWPUHJLJMXSMZ-UHFFFAOYSA-N 2 1 156.273 1.233 10 0 ADAEMP C[C@H]1C[N@H+](CCCC2CCC2)C[C@@H]1[NH3+] 662275680 409710426 /nfs/dbraw/zinc/71/04/26/409710426.db2.gz DHYCOJHCUGVTOO-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1[NH3+] 662275680 409710431 /nfs/dbraw/zinc/71/04/31/409710431.db2.gz DHYCOJHCUGVTOO-JQWIXIFHSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCC1CCC1 662277286 409710895 /nfs/dbraw/zinc/71/08/95/409710895.db2.gz PELSDAFNSCJMEA-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCC1CCC1 662277286 409710900 /nfs/dbraw/zinc/71/09/00/409710900.db2.gz PELSDAFNSCJMEA-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[N@H+](CCCC2CCC2)C[C@H]1[NH3+] 662275678 409711007 /nfs/dbraw/zinc/71/10/07/409711007.db2.gz DHYCOJHCUGVTOO-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1C[N@@H+](CCCC2CCC2)C[C@H]1[NH3+] 662275678 409711009 /nfs/dbraw/zinc/71/10/09/409711009.db2.gz DHYCOJHCUGVTOO-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 662279914 409711607 /nfs/dbraw/zinc/71/16/07/409711607.db2.gz AQPDVDLVPSAJDI-ZSBIGDGJSA-N 2 1 196.338 1.574 10 0 ADAEMP C[C@@H]([NH3+])C[NH+]1CCC(C2CCC2)CC1 662299581 409711921 /nfs/dbraw/zinc/71/19/21/409711921.db2.gz RYRVEMAHIQQHAB-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([NH3+])C[NH+]1CCC(C2CCC2)CC1 662299579 409712125 /nfs/dbraw/zinc/71/21/25/409712125.db2.gz RYRVEMAHIQQHAB-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1C[C@@H]2C[C@@H]2C1 662277300 409712157 /nfs/dbraw/zinc/71/21/57/409712157.db2.gz PNRACODGOGTSNN-SVNGYHJRSA-N 2 1 194.322 1.454 10 0 ADAEMP [NH3+]CC[N@@H+]1CCCC2(CCCC2)CC1 662299171 409713009 /nfs/dbraw/zinc/71/30/09/409713009.db2.gz LLADZSKJAIYYBR-UHFFFAOYSA-N 2 1 196.338 1.991 10 0 ADAEMP [NH3+]CC[N@H+]1CCCC2(CCCC2)CC1 662299171 409713013 /nfs/dbraw/zinc/71/30/13/409713013.db2.gz LLADZSKJAIYYBR-UHFFFAOYSA-N 2 1 196.338 1.991 10 0 ADAEMP [NH3+]CC12CC(C[N@H+]1CC1CC=CC1)C2 662306235 409713716 /nfs/dbraw/zinc/71/37/16/409713716.db2.gz PJIVUAIOEVGHMQ-UHFFFAOYSA-N 2 1 192.306 1.376 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CCF)C1 662310120 409713942 /nfs/dbraw/zinc/71/39/42/409713942.db2.gz HGJXNORSRYXLLD-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CCF)C1 662310120 409713947 /nfs/dbraw/zinc/71/39/47/409713947.db2.gz HGJXNORSRYXLLD-VHSXEESVSA-N 2 1 188.290 1.405 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@@H](C2CCC2)C1 662317430 409715281 /nfs/dbraw/zinc/71/52/81/409715281.db2.gz PDAYXIYUIXKQFY-GFCCVEGCSA-N 2 1 196.338 1.847 10 0 ADAEMP CC[C@@H]1CCC[C@H](C)[N@H+]1CCC[NH3+] 662320885 409715626 /nfs/dbraw/zinc/71/56/26/409715626.db2.gz XYARIXPCVGCKOX-WDEREUQCSA-N 2 1 184.327 1.988 10 0 ADAEMP CCC(CC)C[N@H+]1CC2CC1(C[NH3+])C2 662304757 409715661 /nfs/dbraw/zinc/71/56/61/409715661.db2.gz BJYFIMDRZPTNQH-UHFFFAOYSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CCF)C1 662310119 409715990 /nfs/dbraw/zinc/71/59/90/409715990.db2.gz HGJXNORSRYXLLD-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CCF)C1 662310119 409715998 /nfs/dbraw/zinc/71/59/98/409715998.db2.gz HGJXNORSRYXLLD-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@@H](C)C[N@H+]1CC2CC1(C[NH3+])C2 662305841 409716140 /nfs/dbraw/zinc/71/61/40/409716140.db2.gz LUYHYRGFRRQXCV-KPPDAEKUSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CCF)C1 662310122 409716363 /nfs/dbraw/zinc/71/63/63/409716363.db2.gz HGJXNORSRYXLLD-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CCF)C1 662310122 409716369 /nfs/dbraw/zinc/71/63/69/409716369.db2.gz HGJXNORSRYXLLD-ZJUUUORDSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CCF)C1 662310118 409716545 /nfs/dbraw/zinc/71/65/45/409716545.db2.gz HGJXNORSRYXLLD-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CCF)C1 662310118 409716551 /nfs/dbraw/zinc/71/65/51/409716551.db2.gz HGJXNORSRYXLLD-NXEZZACHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC2CC1(C[NH3+])C2 662305842 409716623 /nfs/dbraw/zinc/71/66/23/409716623.db2.gz LUYHYRGFRRQXCV-WHXUTIOJSA-N 2 1 182.311 1.456 10 0 ADAEMP CC(C)=CCC[N@H+]1CC2CC1(C[NH3+])C2 662304736 409716689 /nfs/dbraw/zinc/71/66/89/409716689.db2.gz AOXFEROPTFXSNE-UHFFFAOYSA-N 2 1 194.322 1.766 10 0 ADAEMP [NH3+]CC12CC(C[N@H+]1CCC1CCC1)C2 662307105 409716760 /nfs/dbraw/zinc/71/67/60/409716760.db2.gz WDDGRGIOPHKDAY-UHFFFAOYSA-N 2 1 194.322 1.600 10 0 ADAEMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2CCC[NH3+] 662320531 409717237 /nfs/dbraw/zinc/71/72/37/409717237.db2.gz UYPAFFOFFIFZKI-FGWVZKOKSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@H](C2CCC2)C1 662317431 409717278 /nfs/dbraw/zinc/71/72/78/409717278.db2.gz PDAYXIYUIXKQFY-LBPRGKRZSA-N 2 1 196.338 1.847 10 0 ADAEMP [NH3+]CC12CC(C[N@H+]1CC1CCCC1)C2 662306228 409717368 /nfs/dbraw/zinc/71/73/68/409717368.db2.gz PHOUFNOXBSPVOR-UHFFFAOYSA-N 2 1 194.322 1.600 10 0 ADAEMP CC(C)CC[N@H+]1CC2CC1(C[NH3+])C2 662308658 409717459 /nfs/dbraw/zinc/71/74/59/409717459.db2.gz XRVUUNHZELCIQD-UHFFFAOYSA-N 2 1 182.311 1.456 10 0 ADAEMP CCCCC[N@H+]1CC2CC1(C[NH3+])C2 662308541 409717967 /nfs/dbraw/zinc/71/79/67/409717967.db2.gz VWQZUMPWISXDGA-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CCCC[N@H+]1CC2CC1(C[NH3+])C2 662306528 409718165 /nfs/dbraw/zinc/71/81/65/409718165.db2.gz AVJFYRFRPGNFLF-UHFFFAOYSA-N 2 1 168.284 1.210 10 0 ADAEMP CC12CC(C[N@H+]1C[C@H]1CC[NH2+]C1)C2 662337070 409719448 /nfs/dbraw/zinc/71/94/48/409719448.db2.gz JBUMQCJPCKOXBQ-WHXUTIOJSA-N 2 1 180.295 1.080 10 0 ADAEMP CC[N@@H+](CCC[NH2+]C)C1CCC1 308397689 409719791 /nfs/dbraw/zinc/71/97/91/409719791.db2.gz GBCWGLGTDFRGJO-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CC12CC(C[N@H+]1CC[C@H]1CC[NH2+]C1)C2 662339061 409720237 /nfs/dbraw/zinc/72/02/37/409720237.db2.gz ZZBLSXBJZLSDEU-VOMCLLRMSA-N 2 1 194.322 1.470 10 0 ADAEMP C[NH2+]CCC[N@H+]1CC2CC1(C)C2 662338452 409720812 /nfs/dbraw/zinc/72/08/12/409720812.db2.gz RMXQEQBJZZCCOT-UHFFFAOYSA-N 2 1 168.284 1.080 10 0 ADAEMP CC12CC(C[N@H+]1C[C@@H]1CC[NH2+]C1)C2 662337069 409721438 /nfs/dbraw/zinc/72/14/38/409721438.db2.gz JBUMQCJPCKOXBQ-KPPDAEKUSA-N 2 1 180.295 1.080 10 0 ADAEMP CC12CC(C[N@H+]1CC[C@@H]1CC[NH2+]C1)C2 662339059 409721543 /nfs/dbraw/zinc/72/15/43/409721543.db2.gz ZZBLSXBJZLSDEU-UNXYVOJBSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC[NH2+]C(C)(C)C[NH+]1CCCC1 308612340 409739120 /nfs/dbraw/zinc/73/91/20/409739120.db2.gz DQCRJFMSGPJBMV-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[N@H+](CC(C)(C)C[NH3+])CC1(F)CC1 308649501 409747666 /nfs/dbraw/zinc/74/76/66/409747666.db2.gz JMLDLIHSAWZUOD-UHFFFAOYSA-N 2 1 188.290 1.405 10 0 ADAEMP C[N@@H+](CC(C)(C)C[NH3+])CC1(F)CC1 308649501 409747669 /nfs/dbraw/zinc/74/76/69/409747669.db2.gz JMLDLIHSAWZUOD-UHFFFAOYSA-N 2 1 188.290 1.405 10 0 ADAEMP CCC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])C1 308675333 409750501 /nfs/dbraw/zinc/75/05/01/409750501.db2.gz WBJQNTYJCMEUBV-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C1CCC1 309069442 409766916 /nfs/dbraw/zinc/76/69/16/409766916.db2.gz BYSJEHIBQPSYNF-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C1CCC1 309069443 409767604 /nfs/dbraw/zinc/76/76/04/409767604.db2.gz BYSJEHIBQPSYNF-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 663280619 409774058 /nfs/dbraw/zinc/77/40/58/409774058.db2.gz JXLRJKFCIWPWPE-MRVPVSSYSA-N 2 1 194.282 1.113 10 0 ADAEMP C[NH2+]C[C@H](C)Nc1cc(C)[nH+]c(C)n1 663280620 409775367 /nfs/dbraw/zinc/77/53/67/409775367.db2.gz JXLRJKFCIWPWPE-QMMMGPOBSA-N 2 1 194.282 1.113 10 0 ADAEMP C[NH2+]C[C@H](C)Nc1cc[nH+]cc1Cl 663281500 409776317 /nfs/dbraw/zinc/77/63/17/409776317.db2.gz WSBRLNPQNIEYRJ-ZETCQYMHSA-N 2 1 199.685 1.177 10 0 ADAEMP C[NH2+]C[C@@H](C)Nc1cc[nH+]cc1Cl 663281499 409777285 /nfs/dbraw/zinc/77/72/85/409777285.db2.gz WSBRLNPQNIEYRJ-SSDOTTSWSA-N 2 1 199.685 1.177 10 0 ADAEMP CC(C)(C)CCC[NH2+][C@H]1CC[NH2+]C1 313259088 409777637 /nfs/dbraw/zinc/77/76/37/409777637.db2.gz YGHGOMREBZDOAR-JTQLQIEISA-N 2 1 184.327 1.764 10 0 ADAEMP CC(C)(C)CCC[NH2+][C@@H]1CC[NH2+]C1 313259089 409778684 /nfs/dbraw/zinc/77/86/84/409778684.db2.gz YGHGOMREBZDOAR-SNVBAGLBSA-N 2 1 184.327 1.764 10 0 ADAEMP CC(C)(F)CC[NH2+][C@H]1CC[NH2+]C1 665262159 409860360 /nfs/dbraw/zinc/86/03/60/409860360.db2.gz VMUARKNJUGTDAY-QMMMGPOBSA-N 2 1 174.263 1.076 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H]2C[C@H]2C1 663500249 409784266 /nfs/dbraw/zinc/78/42/66/409784266.db2.gz JHGBBWHLCWURAV-SRVKXCTJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H]2C[C@H]2C1 663500249 409784272 /nfs/dbraw/zinc/78/42/72/409784272.db2.gz JHGBBWHLCWURAV-SRVKXCTJSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2C[C@@H]2C1 663500251 409784403 /nfs/dbraw/zinc/78/44/03/409784403.db2.gz JHGBBWHLCWURAV-UTUOFQBUSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H]2C[C@@H]2C1 663500251 409784413 /nfs/dbraw/zinc/78/44/13/409784413.db2.gz JHGBBWHLCWURAV-UTUOFQBUSA-N 2 1 196.338 1.702 10 0 ADAEMP [NH3+]CCC[N@@H+](CCC1CC1)CC1CC1 663502927 409784520 /nfs/dbraw/zinc/78/45/20/409784520.db2.gz JASYZCVEWOIKMD-UHFFFAOYSA-N 2 1 196.338 1.847 10 0 ADAEMP C[C@]1(C[N@H+]2CC[C@H]3C[C@H]3C2)CC[NH2+]C1 663500638 409785178 /nfs/dbraw/zinc/78/51/78/409785178.db2.gz MEOPYSZBIROLBS-SRVKXCTJSA-N 2 1 194.322 1.328 10 0 ADAEMP C[C@]1(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC[NH2+]C1 663500640 409786281 /nfs/dbraw/zinc/78/62/81/409786281.db2.gz MEOPYSZBIROLBS-UTUOFQBUSA-N 2 1 194.322 1.328 10 0 ADAEMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCSC1 663509725 409787685 /nfs/dbraw/zinc/78/76/85/409787685.db2.gz LVTWWDUKQHYXIU-BDAKNGLRSA-N 2 1 188.340 1.080 10 0 ADAEMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCSC1 663509729 409788300 /nfs/dbraw/zinc/78/83/00/409788300.db2.gz LVTWWDUKQHYXIU-IUCAKERBSA-N 2 1 188.340 1.080 10 0 ADAEMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCSC1 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HYYMJWOMTNYXOI-VIFPVBQESA-N 2 1 188.290 1.276 10 0 ADAEMP CC[C@@H](C)CC[NH2+][C@H]1CC[NH2+]C1 665237532 409851792 /nfs/dbraw/zinc/85/17/92/409851792.db2.gz CUDURUDYOSSMCF-ZJUUUORDSA-N 2 1 170.300 1.374 10 0 ADAEMP CC[C@H](C)CC[NH2+][C@H]1CC[NH2+]C1 665237530 409852375 /nfs/dbraw/zinc/85/23/75/409852375.db2.gz CUDURUDYOSSMCF-UWVGGRQHSA-N 2 1 170.300 1.374 10 0 ADAEMP CC[C@H](C)CC[NH2+][C@@H]1CC[NH2+]C1 665237531 409853181 /nfs/dbraw/zinc/85/31/81/409853181.db2.gz CUDURUDYOSSMCF-VHSXEESVSA-N 2 1 170.300 1.374 10 0 ADAEMP CC[C@@H](C)CC[NH2+][C@@H]1CC[NH2+]C1 665237529 409854485 /nfs/dbraw/zinc/85/44/85/409854485.db2.gz CUDURUDYOSSMCF-NXEZZACHSA-N 2 1 170.300 1.374 10 0 ADAEMP CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 665241360 409856285 /nfs/dbraw/zinc/85/62/85/409856285.db2.gz JXQFJWRPXAYRAP-DCAQKATOSA-N 2 1 196.338 1.763 10 0 ADAEMP CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 665241361 409856718 /nfs/dbraw/zinc/85/67/18/409856718.db2.gz JXQFJWRPXAYRAP-GARJFASQSA-N 2 1 196.338 1.763 10 0 ADAEMP CO[C@H](C)C[N@H+](C[C@@H](C)[NH3+])C(C)C 379622051 409858835 /nfs/dbraw/zinc/85/88/35/409858835.db2.gz GNFVDMCVHPSECN-NXEZZACHSA-N 2 1 188.315 1.079 10 0 ADAEMP CO[C@H](C)C[N@@H+](C[C@@H](C)[NH3+])C(C)C 379622051 409858841 /nfs/dbraw/zinc/85/88/41/409858841.db2.gz GNFVDMCVHPSECN-NXEZZACHSA-N 2 1 188.315 1.079 10 0 ADAEMP CCCCC[N@@H+]1C[C@H]2[C@H]([NH3+])CC[C@H]2C1 379625883 409859244 /nfs/dbraw/zinc/85/92/44/409859244.db2.gz JXCWMBQSYGYPBZ-QJPTWQEYSA-N 2 1 196.338 1.846 10 0 ADAEMP CO[C@H](C)C[N@H+](C[C@H](C)[NH3+])C(C)C 379622053 409859265 /nfs/dbraw/zinc/85/92/65/409859265.db2.gz GNFVDMCVHPSECN-VHSXEESVSA-N 2 1 188.315 1.079 10 0 ADAEMP CO[C@H](C)C[N@@H+](C[C@H](C)[NH3+])C(C)C 379622053 409859270 /nfs/dbraw/zinc/85/92/70/409859270.db2.gz GNFVDMCVHPSECN-VHSXEESVSA-N 2 1 188.315 1.079 10 0 ADAEMP CCCCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CC[C@H]2C1 379625886 409859414 /nfs/dbraw/zinc/85/94/14/409859414.db2.gz JXCWMBQSYGYPBZ-TUAOUCFPSA-N 2 1 196.338 1.846 10 0 ADAEMP CO[C@@H](C)C[N@H+](C[C@@H](C)[NH3+])C(C)C 379622054 409859940 /nfs/dbraw/zinc/85/99/40/409859940.db2.gz GNFVDMCVHPSECN-ZJUUUORDSA-N 2 1 188.315 1.079 10 0 ADAEMP CO[C@@H](C)C[N@@H+](C[C@@H](C)[NH3+])C(C)C 379622054 409859948 /nfs/dbraw/zinc/85/99/48/409859948.db2.gz GNFVDMCVHPSECN-ZJUUUORDSA-N 2 1 188.315 1.079 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 379625884 409860093 /nfs/dbraw/zinc/86/00/93/409860093.db2.gz JXCWMBQSYGYPBZ-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP CC(C)(F)CC[NH2+][C@@H]1CC[NH2+]C1 665262158 409860261 /nfs/dbraw/zinc/86/02/61/409860261.db2.gz VMUARKNJUGTDAY-MRVPVSSYSA-N 2 1 174.263 1.076 10 0 ADAEMP CO[C@@H](C)C[N@H+](C[C@H](C)[NH3+])C(C)C 379622052 409860763 /nfs/dbraw/zinc/86/07/63/409860763.db2.gz GNFVDMCVHPSECN-UWVGGRQHSA-N 2 1 188.315 1.079 10 0 ADAEMP CO[C@@H](C)C[N@@H+](C[C@H](C)[NH3+])C(C)C 379622052 409860771 /nfs/dbraw/zinc/86/07/71/409860771.db2.gz GNFVDMCVHPSECN-UWVGGRQHSA-N 2 1 188.315 1.079 10 0 ADAEMP CCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 379625885 409861088 /nfs/dbraw/zinc/86/10/88/409861088.db2.gz JXCWMBQSYGYPBZ-SRVKXCTJSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](CC2(F)CC2)C1 379650103 409864051 /nfs/dbraw/zinc/86/40/51/409864051.db2.gz DKKYBWDVAGOTIU-SECBINFHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](CC2(F)CC2)C1 379650103 409864058 /nfs/dbraw/zinc/86/40/58/409864058.db2.gz DKKYBWDVAGOTIU-SECBINFHSA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](CC2(F)CC2)C1 379650104 409864737 /nfs/dbraw/zinc/86/47/37/409864737.db2.gz DKKYBWDVAGOTIU-VIFPVBQESA-N 2 1 186.274 1.030 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC2(F)CC2)C1 379650104 409864746 /nfs/dbraw/zinc/86/47/46/409864746.db2.gz DKKYBWDVAGOTIU-VIFPVBQESA-N 2 1 186.274 1.030 10 0 ADAEMP c1coc(CCC[NH2+][C@@H]2CC[NH2+]C2)c1 665282823 409867956 /nfs/dbraw/zinc/86/79/56/409867956.db2.gz CJMQKYLIVMETAL-SNVBAGLBSA-N 2 1 194.278 1.164 10 0 ADAEMP c1coc(CCC[NH2+][C@H]2CC[NH2+]C2)c1 665282822 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C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(C)CCC2)C1 401639402 410033388 /nfs/dbraw/zinc/03/33/88/410033388.db2.gz GEEZMVQTDGSPJW-QWRGUYRKSA-N 2 1 196.338 1.764 10 0 ADAEMP CC(C)C[NH2+][C@H]1C[NH2+]C[C@H](C)C1 401893839 410033469 /nfs/dbraw/zinc/03/34/69/410033469.db2.gz ZSYSUBRRXKOBKT-NXEZZACHSA-N 2 1 170.300 1.230 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCC2CC2)C1 401870680 410033533 /nfs/dbraw/zinc/03/35/33/410033533.db2.gz KOHUXINIUMZHJI-ONGXEEELSA-N 2 1 182.311 1.374 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H](C)C2CC2)C1 401873118 410033555 /nfs/dbraw/zinc/03/35/55/410033555.db2.gz LYTACFDPRMBSPW-ATZCPNFKSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(C)CCC2)C1 401639400 410033682 /nfs/dbraw/zinc/03/36/82/410033682.db2.gz GEEZMVQTDGSPJW-GHMZBOCLSA-N 2 1 196.338 1.764 10 0 ADAEMP CC(C)C[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 401893841 410033834 /nfs/dbraw/zinc/03/38/34/410033834.db2.gz ZSYSUBRRXKOBKT-VHSXEESVSA-N 2 1 170.300 1.230 10 0 ADAEMP 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/nfs/dbraw/zinc/01/21/70/572012170.db2.gz WJXYVOPUJLSEPH-UHFFFAOYSA-N 2 1 196.338 1.718 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](CC)CC1CC1 68947279 572012181 /nfs/dbraw/zinc/01/21/81/572012181.db2.gz NUNBFYXCDMGMLT-SECBINFHSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](CC)CC1CC1 68947279 572012184 /nfs/dbraw/zinc/01/21/84/572012184.db2.gz NUNBFYXCDMGMLT-SECBINFHSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[N@@H+](CCCCC(N)=[NH2+])CC1CC1 68947275 572012205 /nfs/dbraw/zinc/01/22/05/572012205.db2.gz LOWSOUCDWFTEKL-UHFFFAOYSA-N 2 1 197.326 1.825 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@H]1CCC[C@@H]1[NH3+] 68948354 572012229 /nfs/dbraw/zinc/01/22/29/572012229.db2.gz BQZBDVCJEKBJBB-NEPJUHHUSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+]1CC[C@@H]2[NH2+]CC(C)(C)[C@H]2C1 250203592 572016641 /nfs/dbraw/zinc/01/66/41/572016641.db2.gz BQZKVUZSVQMNNX-UWVGGRQHSA-N 2 1 182.311 1.326 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@@H](C)CC[NH3+] 68994905 572016673 /nfs/dbraw/zinc/01/66/73/572016673.db2.gz LGJAQFIGSIBWHW-VIFPVBQESA-N 2 1 172.316 1.844 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]CC[C@H]1C 300389558 572156193 /nfs/dbraw/zinc/15/61/93/572156193.db2.gz SDGKFAYTGKWQJD-ZNSHCXBVSA-N 2 1 182.311 1.373 10 0 ADAEMP CC[C@@H]1C[C@@H]1[NH2+]C[C@@H]1[NH2+]CC[C@@H]1C 300389557 572156198 /nfs/dbraw/zinc/15/61/98/572156198.db2.gz SDGKFAYTGKWQJD-VLEAKVRGSA-N 2 1 182.311 1.373 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@H+](C)CC 37480915 572156206 /nfs/dbraw/zinc/15/62/06/572156206.db2.gz AKPBEUGEMZVAQS-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CCCC[C@H]([NH3+])C[N@@H+](C)CC 37480915 572156207 /nfs/dbraw/zinc/15/62/07/572156207.db2.gz AKPBEUGEMZVAQS-VIFPVBQESA-N 2 1 158.289 1.456 10 0 ADAEMP CC[NH2+][C@@]1(C[NH3+])CC[C@@H](C)C[C@@H]1C 82860065 572156232 /nfs/dbraw/zinc/15/62/32/572156232.db2.gz JCMQALLHLQSCQV-OUAUKWLOSA-N 2 1 184.327 1.750 10 0 ADAEMP CCCc1[nH+]ccn1CC[NH2+]C 69963829 572162943 /nfs/dbraw/zinc/16/29/43/572162943.db2.gz KYSKSSHJFFGLKY-UHFFFAOYSA-N 2 1 167.256 1.055 10 0 ADAEMP CCCc1[nH+]ccn1[C@@H](C)[C@@H](C)[NH3+] 69963584 572164894 /nfs/dbraw/zinc/16/48/94/572164894.db2.gz HEGNBHLEEURLFH-BDAKNGLRSA-N 2 1 181.283 1.744 10 0 ADAEMP CCCc1[nH+]ccn1[C@H](C)[C@H](C)[NH3+] 69963591 572164900 /nfs/dbraw/zinc/16/49/00/572164900.db2.gz HEGNBHLEEURLFH-DTWKUNHWSA-N 2 1 181.283 1.744 10 0 ADAEMP C[C@H]([NH3+])CC[N@@H+](C)CC1CCCC1 82492350 572043723 /nfs/dbraw/zinc/04/37/23/572043723.db2.gz HPVHCQAOEPEVOS-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]1SCC[C@@H]1[N@@H+](C)CCC[NH3+] 235597412 572043773 /nfs/dbraw/zinc/04/37/73/572043773.db2.gz QJOBHZYLBIBIGB-BDAKNGLRSA-N 2 1 188.340 1.161 10 0 ADAEMP C[NH2+]CCCCC[N@@H+](C)C[C@@H]1C[C@@H]1C 82650350 572071384 /nfs/dbraw/zinc/07/13/84/572071384.db2.gz NMYJEMSJIZKQJZ-RYUDHWBXSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)N(C)C1CCCC1 37092721 572086648 /nfs/dbraw/zinc/08/66/48/572086648.db2.gz OVLWXUYENNPIIR-KOLCDFICSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@@H]1CC[C@@H](C[NH+]2CCCC2)[NH2+]C1 34491476 572086728 /nfs/dbraw/zinc/08/67/28/572086728.db2.gz STHDXFBGSDTDOM-MNOVXSKESA-N 2 1 182.311 1.470 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)C1CCCC1 37092851 572086770 /nfs/dbraw/zinc/08/67/70/572086770.db2.gz NKFXLYMXJYVAGX-VIFPVBQESA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@H+](CC)C1CC1 37080149 572086797 /nfs/dbraw/zinc/08/67/97/572086797.db2.gz CWSGQPWNDTXEIH-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@@H](C)[C@H]([NH3+])C[N@@H+](CC)C1CC1 37080149 572086800 /nfs/dbraw/zinc/08/68/00/572086800.db2.gz CWSGQPWNDTXEIH-MWLCHTKSSA-N 2 1 184.327 1.844 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@H+](C)C1CC1 37480925 572156154 /nfs/dbraw/zinc/15/61/54/572156154.db2.gz FZBMRFPQADBOEE-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@](C)([NH3+])C[N@@H+](C)C1CC1 37480925 572156156 /nfs/dbraw/zinc/15/61/56/572156156.db2.gz FZBMRFPQADBOEE-JTQLQIEISA-N 2 1 170.300 1.598 10 0 ADAEMP CCn1cc[nH+]c1C[C@H](C)CC[NH2+]C 87947575 572759403 /nfs/dbraw/zinc/75/94/03/572759403.db2.gz JXRGHSMELRYENL-SNVBAGLBSA-N 2 1 195.310 1.691 10 0 ADAEMP CC[NH2+]C1CCC([N@@H+](C)CC)CC1 85872679 572830467 /nfs/dbraw/zinc/83/04/67/572830467.db2.gz IOEZZRQRZZJETD-UHFFFAOYSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCC[N@H+]1C[C@@H](C)[C@@](C)(C[NH3+])C1 308158574 572878980 /nfs/dbraw/zinc/87/89/80/572878980.db2.gz VIPGKORRQMQGCI-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H](C)N(C)CC1([NH3+])CCC1 88051725 572946338 /nfs/dbraw/zinc/94/63/38/572946338.db2.gz CMQCHCVQRDKMEH-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP CC[C@@H](C)N(C)CC1([NH3+])CCC1 88051724 572946410 /nfs/dbraw/zinc/94/64/10/572946410.db2.gz CMQCHCVQRDKMEH-SECBINFHSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@H](C)N(C)CC1([NH3+])CCC1 88051780 572946438 /nfs/dbraw/zinc/94/64/38/572946438.db2.gz MLBVZULWJCEBIY-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCCC1 82560366 573100774 /nfs/dbraw/zinc/10/07/74/573100774.db2.gz ASAYSVYEJXIEFN-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C[C@@H]1C[NH2+]C(C)(C)C1 258221766 573011648 /nfs/dbraw/zinc/01/16/48/573011648.db2.gz OWMZKISSIUSYJT-WDEREUQCSA-N 2 1 196.338 1.859 10 0 ADAEMP CC1=CCC[N@H+](C[C@@H]([NH3+])CC2CC2)C1 308497590 573085600 /nfs/dbraw/zinc/08/56/00/573085600.db2.gz UGNCWKVGFRVLSD-LBPRGKRZSA-N 2 1 194.322 1.766 10 0 ADAEMP CC1=CCC[N@@H+](C[C@@H]([NH3+])CC2CC2)C1 308497590 573085606 /nfs/dbraw/zinc/08/56/06/573085606.db2.gz UGNCWKVGFRVLSD-LBPRGKRZSA-N 2 1 194.322 1.766 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CC[C@@H](C)[C@H](C)C1 131906955 573111061 /nfs/dbraw/zinc/11/10/61/573111061.db2.gz GXLVPWVKYOFRET-VXGBXAGGSA-N 2 1 198.354 1.964 10 0 ADAEMP C[NH2+]C[C@]1(C)CCCC[N@@H+]1C 258528498 573111312 /nfs/dbraw/zinc/11/13/12/573111312.db2.gz CQVNSKUNORLBTI-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[NH2+]C[C@]1(C)CCCC[N@H+]1C 258528498 573111319 /nfs/dbraw/zinc/11/13/19/573111319.db2.gz CQVNSKUNORLBTI-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H]([NH3+])CC[N@@H+](C)C[C@@]1(C)C[C@H]1C 715126678 573113879 /nfs/dbraw/zinc/11/38/79/573113879.db2.gz LNMVKOUZRUCODT-GMTAPVOTSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCC[N@H+](C)C2)O1 258561762 573168256 /nfs/dbraw/zinc/16/82/56/573168256.db2.gz OYAYOZSOMYOGPR-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCC[N@@H+](C)C2)O1 258561762 573168259 /nfs/dbraw/zinc/16/82/59/573168259.db2.gz OYAYOZSOMYOGPR-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)(C)[NH2+][C@H](C[NH3+])C1CC1 258486024 573183523 /nfs/dbraw/zinc/18/35/23/573183523.db2.gz JQJFUINDDMUDJY-MRVPVSSYSA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C1 251587522 573183545 /nfs/dbraw/zinc/18/35/45/573183545.db2.gz FKLOMFWOISUAHP-IJLUTSLNSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC2([NH3+])CCCC2)C1 82773090 573183745 /nfs/dbraw/zinc/18/37/45/573183745.db2.gz ZJYRAWMVGFQSCJ-LLVKDONJSA-N 2 1 196.338 1.990 10 0 ADAEMP CC[C@@H](C)[N@H+]1CCC[NH2+]CC[C@@H]1C 259360013 573183763 /nfs/dbraw/zinc/18/37/63/573183763.db2.gz KFNRJNOBHXIARD-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C1CC([C@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 259359015 573183842 /nfs/dbraw/zinc/18/38/42/573183842.db2.gz UHECYUFHVCSLIJ-NSHDSACASA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@H]1CC[N@@H+](CCC(C)(C)[NH3+])C1 82773093 573183904 /nfs/dbraw/zinc/18/39/04/573183904.db2.gz YIVJEDMDVRLQBC-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H](C)[NH2+][C@H](C[NH3+])[C@@H](C)C(C)C 308294565 573184065 /nfs/dbraw/zinc/18/40/65/573184065.db2.gz RLYPJYGEJBFRHQ-GARJFASQSA-N 2 1 186.343 1.994 10 0 ADAEMP C1CC([C@@H]2CC[N@H+](C3CC3)C2)CC[NH2+]1 259359010 573184226 /nfs/dbraw/zinc/18/42/26/573184226.db2.gz UHECYUFHVCSLIJ-LLVKDONJSA-N 2 1 194.322 1.470 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC(C)(C)[NH3+] 82773013 573184390 /nfs/dbraw/zinc/18/43/90/573184390.db2.gz CTUHSDPKEGFTEP-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP Cc1[nH+]c(C(C)(C)C)[nH]c1CC[NH3+] 257962177 573184532 /nfs/dbraw/zinc/18/45/32/573184532.db2.gz XMXHPZQVHPAHDF-UHFFFAOYSA-N 2 1 181.283 1.517 10 0 ADAEMP CC[C@@]1(C)NC(C)(C)C[C@@H](C)[NH2+]1 238306729 573184555 /nfs/dbraw/zinc/18/45/55/573184555.db2.gz BSIOZQFDOHBIAR-PSASIEDQSA-N 2 1 170.300 1.863 10 0 ADAEMP CNc1cc([C@H]2CCC[NH2+]C2)cc[nH+]1 238310345 573199352 /nfs/dbraw/zinc/19/93/52/573199352.db2.gz DYJNYPXHYKNJRM-JTQLQIEISA-N 2 1 191.278 1.590 10 0 ADAEMP Cc1nc2c([nH]1)[C@H]1CC[NH2+][C@@H](C2)C1 115502081 573199473 /nfs/dbraw/zinc/19/94/73/573199473.db2.gz DLNFPFMCOVGHSY-JGVFFNPUSA-N 2 1 177.251 1.110 10 0 ADAEMP Cc1[nH]c2c([nH+]1)[C@H]1CC[NH2+][C@@H](C2)C1 115502081 573199479 /nfs/dbraw/zinc/19/94/79/573199479.db2.gz DLNFPFMCOVGHSY-JGVFFNPUSA-N 2 1 177.251 1.110 10 0 ADAEMP C[N@H+]1CC2(CC[NH2+]CC2)CC12CC2 257966458 573199826 /nfs/dbraw/zinc/19/98/26/573199826.db2.gz YBDYTTGYBHGRNR-UHFFFAOYSA-N 2 1 180.295 1.224 10 0 ADAEMP CC1(C)C[N@H+](C2CC2)CC[C@@H]1CC[NH3+] 259371463 573200347 /nfs/dbraw/zinc/20/03/47/573200347.db2.gz VKBLIXCEXBCADX-JTQLQIEISA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CC[C@@H]1CC[NH3+] 238311138 573200577 /nfs/dbraw/zinc/20/05/77/573200577.db2.gz QUDVKTKMWLGRSD-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])c1[nH+]ccn1C 82807571 573202969 /nfs/dbraw/zinc/20/29/69/573202969.db2.gz DTHKNFARIUUBDB-JGVFFNPUSA-N 2 1 167.256 1.261 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)c1[nH+]ccn1C 82807573 573202977 /nfs/dbraw/zinc/20/29/77/573202977.db2.gz DTHKNFARIUUBDB-HTQZYQBOSA-N 2 1 167.256 1.261 10 0 ADAEMP Cc1[nH+]ccn1[C@@H](C)C[C@H](C)[NH3+] 82803587 573203085 /nfs/dbraw/zinc/20/30/85/573203085.db2.gz GFIRVSZXPIXKDN-YUMQZZPRSA-N 2 1 167.256 1.490 10 0 ADAEMP C[PH+](C)C1=CC[NH2+]CC1 104703334 573203117 /nfs/dbraw/zinc/20/31/17/573203117.db2.gz KABQDQSSUYKKDJ-UHFFFAOYSA-N 2 1 143.170 1.605 10 0 ADAEMP Cc1[nH+]cn([C@@H](C)C[C@H](C)[NH3+])c1C 82803863 573203170 /nfs/dbraw/zinc/20/31/70/573203170.db2.gz KOSLCFNTLNRYBJ-YUMQZZPRSA-N 2 1 181.283 1.798 10 0 ADAEMP CC[N@@H+](C)[C@@H](C)C[C@@H](C)[NH3+] 82801150 573203345 /nfs/dbraw/zinc/20/33/45/573203345.db2.gz WXPZEFLBYLYMJG-SFYZADRCSA-N 2 1 144.262 1.064 10 0 ADAEMP C1C[NH2+][C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 257746883 573203521 /nfs/dbraw/zinc/20/35/21/573203521.db2.gz YZKYHFOTARPRHN-GMTAPVOTSA-N 2 1 180.295 1.223 10 0 ADAEMP CC[C@H]1C[N@@H+](C)CCCC[NH2+]1 238311115 573203595 /nfs/dbraw/zinc/20/35/95/573203595.db2.gz VVMWAFRZVBGAHX-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP C[C@@H](C[C@@H](C)[NH3+])[N@H+]1CCCC1(C)C 82802369 573205285 /nfs/dbraw/zinc/20/52/85/573205285.db2.gz FGIGMZYYARYYMT-ZJUUUORDSA-N 2 1 184.327 1.987 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)c1[nH+]ccn1C 82807578 573205430 /nfs/dbraw/zinc/20/54/30/573205430.db2.gz DTHKNFARIUUBDB-SFYZADRCSA-N 2 1 167.256 1.261 10 0 ADAEMP C[C@@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CC1 82801175 573205483 /nfs/dbraw/zinc/20/54/83/573205483.db2.gz VXYVRHVCXSDFKL-HTQZYQBOSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@H+]1CCCC1(C)C 82802366 573205544 /nfs/dbraw/zinc/20/55/44/573205544.db2.gz FGIGMZYYARYYMT-VHSXEESVSA-N 2 1 184.327 1.987 10 0 ADAEMP CC1(C)C[N@H+](C2CC2)CC[C@H]1CC[NH3+] 259371465 573205763 /nfs/dbraw/zinc/20/57/63/573205763.db2.gz VKBLIXCEXBCADX-SNVBAGLBSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+]2CCCC[C@@H]2[C@H]1F 257965485 573205766 /nfs/dbraw/zinc/20/57/66/573205766.db2.gz XYHVRZJVJWZRFN-BBBLOLIVSA-N 2 1 186.274 1.300 10 0 ADAEMP C[C@]1([NH3+])CC[N@H+]2CCCC[C@@H]2[C@H]1F 257965485 573205770 /nfs/dbraw/zinc/20/57/70/573205770.db2.gz XYHVRZJVJWZRFN-BBBLOLIVSA-N 2 1 186.274 1.300 10 0 ADAEMP C[NH2+][C@H](c1cc[nH]c1)C(C)(C)[NH3+] 259371552 573205956 /nfs/dbraw/zinc/20/59/56/573205956.db2.gz KOYBAKLEWPCSFG-MRVPVSSYSA-N 2 1 167.256 1.013 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)c1ccc[nH+]c1N 82808615 573208541 /nfs/dbraw/zinc/20/85/41/573208541.db2.gz KDNSNCSRMYRPCS-SFYZADRCSA-N 2 1 179.267 1.505 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2C[NH2+]CC3(CC3)C2)C1 238313296 573208634 /nfs/dbraw/zinc/20/86/34/573208634.db2.gz SRGZOFPGEHMSTO-QWRGUYRKSA-N 2 1 194.322 1.328 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@@]2(C)[NH2+]CCO2)C1 258252349 573208657 /nfs/dbraw/zinc/20/86/57/573208657.db2.gz AQBINTFXVVNOKU-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP C[C@H]([NH3+])CC(C)(C)c1[nH+]ccn1C 82816280 573208834 /nfs/dbraw/zinc/20/88/34/573208834.db2.gz NNVCDQUAWBTCME-QMMMGPOBSA-N 2 1 181.283 1.435 10 0 ADAEMP C[C@]1([NH3+])CC[N@@H+]2CCCC[C@H]2[C@H]1F 257965484 573208926 /nfs/dbraw/zinc/20/89/26/573208926.db2.gz XYHVRZJVJWZRFN-AEJSXWLSSA-N 2 1 186.274 1.300 10 0 ADAEMP C[C@]1([NH3+])CC[N@H+]2CCCC[C@H]2[C@H]1F 257965484 573208929 /nfs/dbraw/zinc/20/89/29/573208929.db2.gz XYHVRZJVJWZRFN-AEJSXWLSSA-N 2 1 186.274 1.300 10 0 ADAEMP CC[N@H+]1CC[C@H](C[NH3+])C(C)(C)C1 259375567 573208931 /nfs/dbraw/zinc/20/89/31/573208931.db2.gz VRPIKGGMVBLNMV-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H](C)[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259376664 573212598 /nfs/dbraw/zinc/21/25/98/573212598.db2.gz LAUCCYHBLSKGMH-NXEZZACHSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@@H](C[N@H+]1CC(C)(C)C1(C)C)C(N)=[NH2+] 690144457 573212685 /nfs/dbraw/zinc/21/26/85/573212685.db2.gz JXCGIMZXCLMNAM-QMMMGPOBSA-N 2 1 197.326 1.679 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH3+])C(C)(C)C1 259375571 573212773 /nfs/dbraw/zinc/21/27/73/573212773.db2.gz VRPIKGGMVBLNMV-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@@H](C[NH3+])C1 257760061 573212896 /nfs/dbraw/zinc/21/28/96/573212896.db2.gz UCHAYKHSRSGHQU-IJLUTSLNSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1c1oncc1C[NH3+] 259373020 573212916 /nfs/dbraw/zinc/21/29/16/573212916.db2.gz VOPGKCNVGKNMCJ-SECBINFHSA-N 2 1 195.266 1.290 10 0 ADAEMP C[C@H]([NH3+])CC(C)(C)c1ccc[nH+]c1N 82816502 573213161 /nfs/dbraw/zinc/21/31/61/573213161.db2.gz LYMIBCUVKHRRLN-QMMMGPOBSA-N 2 1 193.294 1.679 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CCC([NH3+])CC2)C[C@@H]1C 86010153 573224789 /nfs/dbraw/zinc/22/47/89/573224789.db2.gz ZNMDRLUEXYMMFV-ZYANWLCNSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CC[C@H]1C 82838460 573224918 /nfs/dbraw/zinc/22/49/18/573224918.db2.gz OTSJBYNORMRUEK-RHYQMDGZSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CC[C@H]1C 82838460 573224924 /nfs/dbraw/zinc/22/49/24/573224924.db2.gz OTSJBYNORMRUEK-RHYQMDGZSA-N 2 1 196.338 1.844 10 0 ADAEMP CC[C@H](C)[NH2+]CC[NH+]1C[C@@H](C)[C@H](C)C1 86012734 573224977 /nfs/dbraw/zinc/22/49/77/573224977.db2.gz HJPQZIFNQZFWFV-UTUOFQBUSA-N 2 1 198.354 1.962 10 0 ADAEMP CCC(CC)C[N@@H+](C)C[C@@H](C)C[NH3+] 129102827 573225054 /nfs/dbraw/zinc/22/50/54/573225054.db2.gz BCHZGOFGJXSHOU-JTQLQIEISA-N 2 1 186.343 1.949 10 0 ADAEMP CCC[N@H+]1CC[C@@H](CC[NH3+])C1(C)C 259384083 573225093 /nfs/dbraw/zinc/22/50/93/573225093.db2.gz LIXMPJKZSYJEIQ-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86008545 573225169 /nfs/dbraw/zinc/22/51/69/573225169.db2.gz MZAQFGKAEOWCPH-LPEHRKFASA-N 2 1 170.300 1.169 10 0 ADAEMP CC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009751 573225257 /nfs/dbraw/zinc/22/52/57/573225257.db2.gz MBPCFYJRXQXESM-AEJSXWLSSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C 86015151 573225292 /nfs/dbraw/zinc/22/52/92/573225292.db2.gz BQKYEAIVRKLRNE-KXNHARMFSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]([C@H]1CCC[N@@H+](C)C1)[NH+](C)C 259037924 573225630 /nfs/dbraw/zinc/22/56/30/573225630.db2.gz AQDGTXIJBXRNPW-UWVGGRQHSA-N 2 1 170.300 1.278 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CC[C@@H](C)[C@@H](C)C1 82837960 573225668 /nfs/dbraw/zinc/22/56/68/573225668.db2.gz GLDYULBMSFYNGC-KXUCPTDWSA-N 2 1 170.300 1.359 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258599984 573225670 /nfs/dbraw/zinc/22/56/70/573225670.db2.gz QPEVYHNCUUPAJO-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2[NH2+][C@H](C)CO2)C1 258599984 573225672 /nfs/dbraw/zinc/22/56/72/573225672.db2.gz QPEVYHNCUUPAJO-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86009753 573225728 /nfs/dbraw/zinc/22/57/28/573225728.db2.gz MBPCFYJRXQXESM-KXUCPTDWSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1C[C@@H](C)[C@@H](C)C1 86010221 573225911 /nfs/dbraw/zinc/22/59/11/573225911.db2.gz KSRJYMUYJXUBRA-HRDYMLBCSA-N 2 1 183.299 1.289 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1(C)C 259384060 573225913 /nfs/dbraw/zinc/22/59/13/573225913.db2.gz LITWAAGLRYWAOQ-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1C[C@@H](C)[C@@H](C)C1 86010221 573225917 /nfs/dbraw/zinc/22/59/17/573225917.db2.gz KSRJYMUYJXUBRA-HRDYMLBCSA-N 2 1 183.299 1.289 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCC[N@@H+](C)C2)O1 258600250 573225965 /nfs/dbraw/zinc/22/59/65/573225965.db2.gz QRXNSISWCJHXDV-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CCCCNC(C)(C)C1 259381752 573226071 /nfs/dbraw/zinc/22/60/71/573226071.db2.gz LHUJWAYEOVXWDP-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP CCN1CCCC[NH2+]C(C)(C)C1 259381752 573226076 /nfs/dbraw/zinc/22/60/76/573226076.db2.gz LHUJWAYEOVXWDP-UHFFFAOYSA-N 2 1 170.300 1.470 10 0 ADAEMP C[C@@H]1C[N@H+](C[C@](C)(N)C2CC2)C[C@@H]1C 86015428 573226138 /nfs/dbraw/zinc/22/61/38/573226138.db2.gz SOGSQERNQWJKMN-UMNHJUIQSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C 86008580 573226207 /nfs/dbraw/zinc/22/62/07/573226207.db2.gz FADSMKZTJLVGEO-WRWGMCAJSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@H]2CCC[N@@H+](C)C2)O1 258600243 573225510 /nfs/dbraw/zinc/22/55/10/573225510.db2.gz QRXNSISWCJHXDV-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[NH+](C)CC[C@@H]1CCC[N@H+](C)C1 259038529 573229863 /nfs/dbraw/zinc/22/98/63/573229863.db2.gz ITEUEBUEMZQFOY-NSHDSACASA-N 2 1 184.327 1.670 10 0 ADAEMP CC[NH+](C)CC[C@@H]1CCC[N@@H+](C)C1 259038529 573229867 /nfs/dbraw/zinc/22/98/67/573229867.db2.gz ITEUEBUEMZQFOY-NSHDSACASA-N 2 1 184.327 1.670 10 0 ADAEMP CNC(C)(C)C[N@@H+]1C[C@@H](C)[C@@H](C)C1 86015212 573230037 /nfs/dbraw/zinc/23/00/37/573230037.db2.gz RWUVRZVEOUGTJA-AOOOYVTPSA-N 2 1 184.327 1.572 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H]([C@H]2[NH2+]CCCO2)C1 258239914 573230420 /nfs/dbraw/zinc/23/04/20/573230420.db2.gz ZRCZFKFNXWVAGE-MNOVXSKESA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@H]2[NH2+]CCCO2)C1 258239914 573230425 /nfs/dbraw/zinc/23/04/25/573230425.db2.gz ZRCZFKFNXWVAGE-MNOVXSKESA-N 2 1 198.310 1.053 10 0 ADAEMP C[NH+](C)C1=CC(C)(C)[NH2+]C(C)(C)C1 238321739 573230444 /nfs/dbraw/zinc/23/04/44/573230444.db2.gz ZJGSAKIENFDQNR-UHFFFAOYSA-N 2 1 182.311 1.982 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@@H+]1CC2CCC1CC2 308524727 573230493 /nfs/dbraw/zinc/23/04/93/573230493.db2.gz OUGWSYWKGSKSSD-UNXYVOJBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+]C[C@H](C)[N@H+]1CC2CCC1CC2 308524727 573230498 /nfs/dbraw/zinc/23/04/98/573230498.db2.gz OUGWSYWKGSKSSD-UNXYVOJBSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[N@@H+]1CCC=C(C[NH+](C)C)C1 258244672 573237173 /nfs/dbraw/zinc/23/71/73/573237173.db2.gz XIVGYVKCZJTFJI-UHFFFAOYSA-N 2 1 182.311 1.589 10 0 ADAEMP CC(C)[N@H+]1CCC=C(C[NH+](C)C)C1 258244672 573237178 /nfs/dbraw/zinc/23/71/78/573237178.db2.gz XIVGYVKCZJTFJI-UHFFFAOYSA-N 2 1 182.311 1.589 10 0 ADAEMP C[NH+](C)CCC1=CCC[N@@H+](C)C1 258244722 573237513 /nfs/dbraw/zinc/23/75/13/573237513.db2.gz XKGGDMQWDVJONF-UHFFFAOYSA-N 2 1 168.284 1.200 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@@H](C)[C@@H]1C 82860068 573239449 /nfs/dbraw/zinc/23/94/49/573239449.db2.gz IZYCGWNFNAXHHG-VWYCJHECSA-N 2 1 184.327 1.750 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C 82860060 573239640 /nfs/dbraw/zinc/23/96/40/573239640.db2.gz VLUHGNJOZPIDRF-DCAQKATOSA-N 2 1 184.327 1.750 10 0 ADAEMP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])([NH2+]C2CC2)C1 82860096 573239651 /nfs/dbraw/zinc/23/96/51/573239651.db2.gz SOXPGHXKUYMROF-CKYFFXLPSA-N 2 1 196.338 1.892 10 0 ADAEMP C[N@H+]1CC[C@@H](SC(C)(C)C[NH3+])C1 259041909 573239876 /nfs/dbraw/zinc/23/98/76/573239876.db2.gz KSPFTXPEFYRYJO-MRVPVSSYSA-N 2 1 188.340 1.161 10 0 ADAEMP C[NH2+][C@@H](C)C[N@@H+]1C[C@@H]2CC[C@H]1C2 238317457 573247248 /nfs/dbraw/zinc/24/72/48/573247248.db2.gz DRBIKJHFEYSJJQ-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP C[NH2+][C@@H](C)C[N@H+]1C[C@@H]2CC[C@H]1C2 238317457 573247254 /nfs/dbraw/zinc/24/72/54/573247254.db2.gz DRBIKJHFEYSJJQ-AEJSXWLSSA-N 2 1 168.284 1.079 10 0 ADAEMP [NH3+]C[C@@]1(C2CCCCC2)CCC[NH2+]1 258609916 573247425 /nfs/dbraw/zinc/24/74/25/573247425.db2.gz IPCSOPUPILTIBS-LLVKDONJSA-N 2 1 182.311 1.648 10 0 ADAEMP Cc1[nH+]cn(C[C@H](C)[NH2+]C(C)C)c1C 129171739 573247655 /nfs/dbraw/zinc/24/76/55/573247655.db2.gz LZNCLXPFXXHLAL-VIFPVBQESA-N 2 1 195.310 1.886 10 0 ADAEMP C[C@H]([N@H+](C)C[C@H](C)C[NH3+])C(C)(C)C 42739360 573252251 /nfs/dbraw/zinc/25/22/51/573252251.db2.gz XRFIRSMJSVOCMM-ZJUUUORDSA-N 2 1 186.343 1.948 10 0 ADAEMP C[C@@H]1CO[C@](C)(C[C@@H]2CC[N@@H+](C)C2)[NH2+]1 258247924 573251597 /nfs/dbraw/zinc/25/15/97/573251597.db2.gz ALBUTNQTTHJOMH-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749072 573251749 /nfs/dbraw/zinc/25/17/49/573251749.db2.gz PTCGYHQIMQCUOG-QGFIPJAISA-N 2 1 194.322 1.739 10 0 ADAEMP Nc1[nH+]cccc1C1CC[NH2+]CC1 116151318 573251771 /nfs/dbraw/zinc/25/17/71/573251771.db2.gz OSHXXXUMLUVXTJ-UHFFFAOYSA-N 2 1 177.251 1.131 10 0 ADAEMP CC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CC([NH3+])C2 40749390 573252207 /nfs/dbraw/zinc/25/22/07/573252207.db2.gz OZFBTYWYRNXTQO-OFLUOSHYSA-N 2 1 182.311 1.739 10 0 ADAEMP [NH3+]C/C=C1/CC[N@H+]2CCCC[C@H]12 123946897 573271232 /nfs/dbraw/zinc/27/12/32/573271232.db2.gz DBOVGTJNRBKKPW-ZUYFITGHSA-N 2 1 166.268 1.130 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@@]1(C)NCCO1 258272342 573271288 /nfs/dbraw/zinc/27/12/88/573271288.db2.gz BFKTUVSKLCKFLN-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@@H+]1CCCC[C@H]1C[C@@]1(C)[NH2+]CCO1 258272342 573271293 /nfs/dbraw/zinc/27/12/93/573271293.db2.gz BFKTUVSKLCKFLN-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@@]1(C)[NH2+]CCO1 258272342 573271299 /nfs/dbraw/zinc/27/12/99/573271299.db2.gz BFKTUVSKLCKFLN-QWRGUYRKSA-N 2 1 198.310 1.197 10 0 ADAEMP CC[C@@H](C[N@H+](C)CCC(C)C)[NH2+]C 50179511 573271373 /nfs/dbraw/zinc/27/13/73/573271373.db2.gz PLFBVTRCNMQKTK-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+]2CCCC[C@@H]12 123947223 573271375 /nfs/dbraw/zinc/27/13/75/573271375.db2.gz ZUPHRXZUGQBYIR-FGUAACIASA-N 2 1 180.295 1.520 10 0 ADAEMP CC[C@@H](C[N@@H+](C)CCC(C)C)[NH2+]C 50179511 573271377 /nfs/dbraw/zinc/27/13/77/573271377.db2.gz PLFBVTRCNMQKTK-NSHDSACASA-N 2 1 186.343 1.962 10 0 ADAEMP CC[N@H+]1CCC[C@@H](CC2([NH3+])CC2)C1 257989420 573271396 /nfs/dbraw/zinc/27/13/96/573271396.db2.gz LKQUVKWIGYEAKO-JTQLQIEISA-N 2 1 182.311 1.600 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH3+])CC 50180629 573271486 /nfs/dbraw/zinc/27/14/86/573271486.db2.gz NCBGMFXTMDJTEI-MRVPVSSYSA-N 2 1 167.256 1.183 10 0 ADAEMP CN1CCCC[C@@H]1c1ncc(CN)o1 258270916 573271586 /nfs/dbraw/zinc/27/15/86/573271586.db2.gz XVBVPQNMLWNUPT-SECBINFHSA-N 2 1 195.266 1.290 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@]1(C)NCCO1 258272344 573271646 /nfs/dbraw/zinc/27/16/46/573271646.db2.gz BFKTUVSKLCKFLN-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@@H+]1CCCC[C@H]1C[C@]1(C)[NH2+]CCO1 258272344 573271651 /nfs/dbraw/zinc/27/16/51/573271651.db2.gz BFKTUVSKLCKFLN-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP C[N@H+]1CCCC[C@H]1C[C@]1(C)[NH2+]CCO1 258272344 573271656 /nfs/dbraw/zinc/27/16/56/573271656.db2.gz BFKTUVSKLCKFLN-WDEREUQCSA-N 2 1 198.310 1.197 10 0 ADAEMP CN1CCC[C@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258272464 573271698 /nfs/dbraw/zinc/27/16/98/573271698.db2.gz BHHLDXLRBALVJE-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@@H+]1CCC[C@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258272464 573271703 /nfs/dbraw/zinc/27/17/03/573271703.db2.gz BHHLDXLRBALVJE-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@@H]2[NH2+]C(C)(C)CO2)C1 258272464 573271710 /nfs/dbraw/zinc/27/17/10/573271710.db2.gz BHHLDXLRBALVJE-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@H](C[N@H+](C)C(C)C)[NH2+]C 50166393 573271810 /nfs/dbraw/zinc/27/18/10/573271810.db2.gz UVFKULARKZKPTQ-SECBINFHSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@H](C[N@@H+](C)C(C)C)[NH2+]C 50166393 573271815 /nfs/dbraw/zinc/27/18/15/573271815.db2.gz UVFKULARKZKPTQ-SECBINFHSA-N 2 1 158.289 1.325 10 0 ADAEMP C1CC[N@@H+]2CC[C@H]([C@@H]3CC[NH2+]C3)[C@@H]2C1 123948690 573271899 /nfs/dbraw/zinc/27/18/99/573271899.db2.gz SUWBHDMWRGLQDM-UTUOFQBUSA-N 2 1 194.322 1.470 10 0 ADAEMP CCC[N@H+](C)C[C@@H](CC)[NH2+]C 50179219 573272004 /nfs/dbraw/zinc/27/20/04/573272004.db2.gz AGNJCWHALKNZJX-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](CC)[NH2+]C 50179219 573272011 /nfs/dbraw/zinc/27/20/11/573272011.db2.gz AGNJCWHALKNZJX-SECBINFHSA-N 2 1 158.289 1.326 10 0 ADAEMP C[NH2+][C@@H]1CCCC[C@@]12CCC[N@H+]2C 238329114 573272017 /nfs/dbraw/zinc/27/20/17/573272017.db2.gz NTGIHCUGCBFXHP-GHMZBOCLSA-N 2 1 182.311 1.613 10 0 ADAEMP C[C@@H]1C[C@H]1[NH2+]CC[NH2+]C(C)(C)C 86137921 573272132 /nfs/dbraw/zinc/27/21/32/573272132.db2.gz PYPJGZOFLPYXFK-RKDXNWHRSA-N 2 1 170.300 1.373 10 0 ADAEMP CC[C@H](C[NH+]1CCC(C)CC1)[NH2+]C 50166272 573272183 /nfs/dbraw/zinc/27/21/83/573272183.db2.gz AJUYFAPQVHABNV-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[C@H](C[N@H+](C)CC1CC1)[NH2+]C 50179412 573272328 /nfs/dbraw/zinc/27/23/28/573272328.db2.gz RJNJNMIMFKSUNO-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@H](C[N@@H+](C)CC1CC1)[NH2+]C 50179412 573272334 /nfs/dbraw/zinc/27/23/34/573272334.db2.gz RJNJNMIMFKSUNO-SNVBAGLBSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@H+](C)C[C@@H](CC)[NH2+]CC 50179221 573274080 /nfs/dbraw/zinc/27/40/80/573274080.db2.gz GKOMSIOCLTVTPX-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@@H](CC)[NH2+]CC 50179221 573274084 /nfs/dbraw/zinc/27/40/84/573274084.db2.gz GKOMSIOCLTVTPX-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@@H](C[NH+](CC)CC)[NH2+]C 50166301 573274095 /nfs/dbraw/zinc/27/40/95/573274095.db2.gz HYOGEASIYMPPKJ-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP C[C@@H]1C[C@]1(C)[C@H](C[NH3+])[NH2+]CC1CC1 714667173 573274106 /nfs/dbraw/zinc/27/41/06/573274106.db2.gz NNMUTFAHRYAGPC-MIMYLULJSA-N 2 1 182.311 1.359 10 0 ADAEMP CCC[N@H+](C)C[C@H](CC)[NH2+]CC 50179222 573273426 /nfs/dbraw/zinc/27/34/26/573273426.db2.gz GKOMSIOCLTVTPX-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCC[N@@H+](C)C[C@H](CC)[NH2+]CC 50179222 573273433 /nfs/dbraw/zinc/27/34/33/573273433.db2.gz GKOMSIOCLTVTPX-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP [NH3+]C/C=C1/CC[N@H+]2CCCC[C@@H]12 123946626 573273565 /nfs/dbraw/zinc/27/35/65/573273565.db2.gz DBOVGTJNRBKKPW-FWAPLPHYSA-N 2 1 166.268 1.130 10 0 ADAEMP C[N@H+]1CCC=C(CC[NH2+]C2CCC2)C1 257988586 573273648 /nfs/dbraw/zinc/27/36/48/573273648.db2.gz HRZLBGCKENEMFW-UHFFFAOYSA-N 2 1 194.322 1.781 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H](CC)[NH2+]C 50180637 573273706 /nfs/dbraw/zinc/27/37/06/573273706.db2.gz HTUOFQFADKXMNH-SECBINFHSA-N 2 1 181.283 1.444 10 0 ADAEMP CCC[N@H+](C)C[C@H](CC)[NH2+]C 50179220 573273726 /nfs/dbraw/zinc/27/37/26/573273726.db2.gz AGNJCWHALKNZJX-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CCC[N@@H+](C)C[C@H](CC)[NH2+]C 50179220 573273730 /nfs/dbraw/zinc/27/37/30/573273730.db2.gz AGNJCWHALKNZJX-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CC[C@H](C[N@H+](C)CCC(C)C)[NH2+]C 50179512 573273952 /nfs/dbraw/zinc/27/39/52/573273952.db2.gz PLFBVTRCNMQKTK-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP CC[C@H](C[N@@H+](C)CCC(C)C)[NH2+]C 50179512 573273958 /nfs/dbraw/zinc/27/39/58/573273958.db2.gz PLFBVTRCNMQKTK-LLVKDONJSA-N 2 1 186.343 1.962 10 0 ADAEMP C[C@H]1CCC[N@H+]1Cc1cc(N)cc[nH+]1 86134354 573274282 /nfs/dbraw/zinc/27/42/82/573274282.db2.gz XLPCPFXVVOUVLT-VIFPVBQESA-N 2 1 191.278 1.648 10 0 ADAEMP [NH3+]CC/C=C1/CC[N@H+]2CCCC[C@H]12 123947429 573274289 /nfs/dbraw/zinc/27/42/89/573274289.db2.gz ZUPHRXZUGQBYIR-NEOSZVFXSA-N 2 1 180.295 1.520 10 0 ADAEMP CC[C@H](C[N@H+]1CCC[C@@H]1C)[NH2+]C 50179400 573274348 /nfs/dbraw/zinc/27/43/48/573274348.db2.gz VTKISHNWHLWLSR-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H](Cn1cc[nH+]c1C)[NH2+]C 50180215 573274420 /nfs/dbraw/zinc/27/44/20/573274420.db2.gz MLQLPTJEWQTVBX-VIFPVBQESA-N 2 1 167.256 1.190 10 0 ADAEMP CCC[NH2+][C@@H](CC)C[NH+]1CCCC1 50166287 573274572 /nfs/dbraw/zinc/27/45/72/573274572.db2.gz QYLOBZGPMWLJHA-NSHDSACASA-N 2 1 184.327 1.860 10 0 ADAEMP CCCC[N@H+](C)C[C@H](CC)[NH2+]C 50166546 573274712 /nfs/dbraw/zinc/27/47/12/573274712.db2.gz XISRSZIZYQDEMB-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](CC)[NH2+]C 50166546 573274714 /nfs/dbraw/zinc/27/47/14/573274714.db2.gz XISRSZIZYQDEMB-JTQLQIEISA-N 2 1 172.316 1.716 10 0 ADAEMP C[N@H+]1CCc2ccsc2[C@H]1CC[NH3+] 74240952 573274748 /nfs/dbraw/zinc/27/47/48/573274748.db2.gz ORGJSDXKPLURHW-SECBINFHSA-N 2 1 196.319 1.626 10 0 ADAEMP CC[C@@H](C[N@H+](C)CC1CC1)[NH2+]C 50179411 573274759 /nfs/dbraw/zinc/27/47/59/573274759.db2.gz RJNJNMIMFKSUNO-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CC[C@@H](C[N@@H+](C)CC1CC1)[NH2+]C 50179411 573274761 /nfs/dbraw/zinc/27/47/61/573274761.db2.gz RJNJNMIMFKSUNO-JTQLQIEISA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@H+](C[C@@H](CC)[NH2+]C)C1CC1 50179213 573274877 /nfs/dbraw/zinc/27/48/77/573274877.db2.gz XFUFQEHIGYIOSI-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[N@@H+](C[C@@H](CC)[NH2+]C)C1CC1 50179213 573274883 /nfs/dbraw/zinc/27/48/83/573274883.db2.gz XFUFQEHIGYIOSI-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCCCCC[NH2+][C@@H](C)C[NH2+]C 162164452 573276485 /nfs/dbraw/zinc/27/64/85/573276485.db2.gz BNHNBQHJSMLMKU-JTQLQIEISA-N 2 1 172.316 1.764 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1/C=C\CC[NH3+] 258276086 573276734 /nfs/dbraw/zinc/27/67/34/573276734.db2.gz SGVVUCGSKDNYPP-ZTYXWKCZSA-N 2 1 182.311 1.764 10 0 ADAEMP C[N@@H+]1CCc2cscc2[C@H]1CC[NH3+] 74241005 573276946 /nfs/dbraw/zinc/27/69/46/573276946.db2.gz QEIJYWZZWXXEEO-SNVBAGLBSA-N 2 1 196.319 1.626 10 0 ADAEMP C[N@H+]1CCc2cscc2[C@H]1CC[NH3+] 74241005 573276952 /nfs/dbraw/zinc/27/69/52/573276952.db2.gz QEIJYWZZWXXEEO-SNVBAGLBSA-N 2 1 196.319 1.626 10 0 ADAEMP CC[C@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C2 86193724 573291525 /nfs/dbraw/zinc/29/15/25/573291525.db2.gz GDCJGEMTWJYXNK-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP CCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@@H]1C 86192151 573291598 /nfs/dbraw/zinc/29/15/98/573291598.db2.gz KZBAQBQLQQNMAL-UWVGGRQHSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1(C)C 259405018 573291602 /nfs/dbraw/zinc/29/16/02/573291602.db2.gz MMYPJSBLCKBSDV-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C1CCC([C@@H]2CC[N@@H+](C)C2)CC1 259404545 573291623 /nfs/dbraw/zinc/29/16/23/573291623.db2.gz XFGBFSDITOIPCO-MOENNCHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CCC[C@@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86192924 573291650 /nfs/dbraw/zinc/29/16/50/573291650.db2.gz MHGQZQIIPIUSOC-VXGBXAGGSA-N 2 1 196.338 1.718 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1CC[NH2+]C[C@H]1C 86192152 573291677 /nfs/dbraw/zinc/29/16/77/573291677.db2.gz KZBAQBQLQQNMAL-NXEZZACHSA-N 2 1 193.294 1.616 10 0 ADAEMP CC[C@@H]1C[NH2+]CC[C@]12CC[N@@H+](C)C2 86193725 573291693 /nfs/dbraw/zinc/29/16/93/573291693.db2.gz GDCJGEMTWJYXNK-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[C@@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C2 86192922 573291875 /nfs/dbraw/zinc/29/18/75/573291875.db2.gz MHGQZQIIPIUSOC-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP CCC[C@H]1C[NH2+]CC[C@@]12CC[N@@H+](C)C2 86192923 573291905 /nfs/dbraw/zinc/29/19/05/573291905.db2.gz MHGQZQIIPIUSOC-RYUDHWBXSA-N 2 1 196.338 1.718 10 0 ADAEMP CCn1c[nH+]cc1[C@H]1CC[NH2+]C[C@H]1C 86192153 573291940 /nfs/dbraw/zinc/29/19/40/573291940.db2.gz KZBAQBQLQQNMAL-ZJUUUORDSA-N 2 1 193.294 1.616 10 0 ADAEMP C[C@@H]1C[NH2+]CC[C@]12CCC[N@@H+](C)CC2 86192130 573292076 /nfs/dbraw/zinc/29/20/76/573292076.db2.gz BMEKBLHUKWQEEI-NEPJUHHUSA-N 2 1 196.338 1.718 10 0 ADAEMP CSC(=[NH2+])[C@@H]1CC[N@@H+](C)C1 259070373 573294345 /nfs/dbraw/zinc/29/43/45/573294345.db2.gz FGIWUALEYRCHMO-ZCFIWIBFSA-N 2 1 158.270 1.278 10 0 ADAEMP [NH3+]C[C@@H]1CCc2[nH]c(C3CC3)nc2C1 74271364 573294546 /nfs/dbraw/zinc/29/45/46/573294546.db2.gz YOMLEVPISNQTCW-SSDOTTSWSA-N 2 1 191.278 1.351 10 0 ADAEMP CCc1c[nH]c([C@@H](C)CC[NH3+])[nH+]1 259072467 573294547 /nfs/dbraw/zinc/29/45/47/573294547.db2.gz KXBYXLNAQXKLSI-ZETCQYMHSA-N 2 1 167.256 1.424 10 0 ADAEMP [NH3+]C[C@@H]1CCc2[nH+]c(C3CC3)[nH]c2C1 74271364 573294552 /nfs/dbraw/zinc/29/45/52/573294552.db2.gz YOMLEVPISNQTCW-SSDOTTSWSA-N 2 1 191.278 1.351 10 0 ADAEMP [NH3+]C[C@@H]1CCc2[nH]c(C3CC3)[nH+]c2C1 74271364 573294557 /nfs/dbraw/zinc/29/45/57/573294557.db2.gz YOMLEVPISNQTCW-SSDOTTSWSA-N 2 1 191.278 1.351 10 0 ADAEMP N[C@@H](C[NH3+])CNc1ccc(Cl)cc1 259070393 573294603 /nfs/dbraw/zinc/29/46/03/573294603.db2.gz XHSUCAYRZODGKD-QMMMGPOBSA-N 2 1 199.685 1.038 10 0 ADAEMP [NH3+]C[C@H]1CCc2[nH]c(C3CC3)nc2C1 74271361 573294618 /nfs/dbraw/zinc/29/46/18/573294618.db2.gz YOMLEVPISNQTCW-ZETCQYMHSA-N 2 1 191.278 1.351 10 0 ADAEMP [NH3+]C[C@H]1CCc2[nH+]c(C3CC3)[nH]c2C1 74271361 573294624 /nfs/dbraw/zinc/29/46/24/573294624.db2.gz YOMLEVPISNQTCW-ZETCQYMHSA-N 2 1 191.278 1.351 10 0 ADAEMP [NH3+]C[C@H]1CCc2[nH]c(C3CC3)[nH+]c2C1 74271361 573294628 /nfs/dbraw/zinc/29/46/28/573294628.db2.gz YOMLEVPISNQTCW-ZETCQYMHSA-N 2 1 191.278 1.351 10 0 ADAEMP C[C@@H]1C[C@H]([C@@H]2CCCC[N@H+]2C)C[NH2+]1 257996836 573294786 /nfs/dbraw/zinc/29/47/86/573294786.db2.gz ADBRCDHCFIOPDV-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@@H]2CCCCC[C@@H]21 308856874 573294842 /nfs/dbraw/zinc/29/48/42/573294842.db2.gz QXGCZGXOKLTHEJ-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)(C)[C@]1(C[NH3+])CCC[NH2+]1 258622050 573296165 /nfs/dbraw/zinc/29/61/65/573296165.db2.gz JHPMYVASISHZBA-SECBINFHSA-N 2 1 156.273 1.113 10 0 ADAEMP CC[C@H]1C[NH2+]CC[C@@H]1c1c[nH+]cn1C 86194072 573298193 /nfs/dbraw/zinc/29/81/93/573298193.db2.gz USFNZXBNQTVRQY-UWVGGRQHSA-N 2 1 193.294 1.523 10 0 ADAEMP C[N@H+]1CC[C@H](CC[C@]2(C)CCC[NH2+]2)C1 257998731 573298444 /nfs/dbraw/zinc/29/84/44/573298444.db2.gz AGBZYLQRGFNMQS-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[N@H+]1CC[C@H]([NH2+]C)C(C)(C)C1 259407523 573298584 /nfs/dbraw/zinc/29/85/84/573298584.db2.gz YJPYGDHVMHIQMF-VIFPVBQESA-N 2 1 170.300 1.326 10 0 ADAEMP CC[NH2+]Cc1coc(C[NH+]2CCC2)c1 308542078 573298602 /nfs/dbraw/zinc/29/86/02/573298602.db2.gz OELFQRFGMBTEPC-UHFFFAOYSA-N 2 1 194.278 1.595 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@@H]2CCCCC[C@H]21 308856872 573298616 /nfs/dbraw/zinc/29/86/16/573298616.db2.gz QXGCZGXOKLTHEJ-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP C[NH2+]CC1([C@H]2CCC[N@@H+](C)C2)CCC1 259073547 573298680 /nfs/dbraw/zinc/29/86/80/573298680.db2.gz CAWSYGRZLWUURC-NSHDSACASA-N 2 1 196.338 1.718 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H]2CCCCC[C@@H]21 308856870 573298928 /nfs/dbraw/zinc/29/89/28/573298928.db2.gz QXGCZGXOKLTHEJ-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H](C)[C@@H]1C[N@@H+](C)CCC[NH2+]1 82941211 573298930 /nfs/dbraw/zinc/29/89/30/573298930.db2.gz SRDRFNMVHYTGBI-ZJUUUORDSA-N 2 1 170.300 1.326 10 0 ADAEMP C[NH2+]CCC[N@H+]1C[C@H]2CCCCC[C@H]21 308856876 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1.470 10 0 ADAEMP C[C@H]1CCN[C@H](C)C[N@H+]1CC1CC1 82942459 573313370 /nfs/dbraw/zinc/31/33/70/573313370.db2.gz UASGOTFTGGPNHP-ZJUUUORDSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@@H]2CCC[N@H+]2C)C[NH2+]1 258253094 573313559 /nfs/dbraw/zinc/31/35/59/573313559.db2.gz QSXHBUHXGCYPKB-VWYCJHECSA-N 2 1 182.311 1.469 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)CCC[NH2+]1 82941602 573313611 /nfs/dbraw/zinc/31/36/11/573313611.db2.gz COJCAUQHFRGHAB-SECBINFHSA-N 2 1 156.273 1.080 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C2CC2)NCC[C@H]1C 82943507 573313711 /nfs/dbraw/zinc/31/37/11/573313711.db2.gz LRJXKPBSCWTSRE-PWSUYJOCSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)N1C[C@@H](C2CC2)[NH2+]CC[C@H]1C 82943507 573313723 /nfs/dbraw/zinc/31/37/23/573313723.db2.gz LRJXKPBSCWTSRE-PWSUYJOCSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@@H]1C[C@@H](C[C@H]2CCC[N@H+]2C)C[NH2+]1 258253091 573313807 /nfs/dbraw/zinc/31/38/07/573313807.db2.gz QSXHBUHXGCYPKB-OUAUKWLOSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 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170.300 1.467 10 0 ADAEMP CC(C)N1C[C@@H](C)[NH2+]CC[C@H]1C 82942504 573314804 /nfs/dbraw/zinc/31/48/04/573314804.db2.gz IMZWIPKSORAYNU-NXEZZACHSA-N 2 1 170.300 1.467 10 0 ADAEMP CC[N@H+]1C[C@@](C)(CC)NCC[C@H]1C 82943588 573314901 /nfs/dbraw/zinc/31/49/01/573314901.db2.gz WSAOFNYXRCFXME-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CCN1C[C@@](C)(CC)[NH2+]CC[C@H]1C 82943588 573314905 /nfs/dbraw/zinc/31/49/05/573314905.db2.gz WSAOFNYXRCFXME-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP CC(C)[N@H+]1C[C@@H](C2CC2)NCC[C@@H]1C 82943510 573314998 /nfs/dbraw/zinc/31/49/98/573314998.db2.gz LRJXKPBSCWTSRE-JQWIXIFHSA-N 2 1 196.338 1.857 10 0 ADAEMP CC(C)N1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C 82943510 573315002 /nfs/dbraw/zinc/31/50/02/573315002.db2.gz LRJXKPBSCWTSRE-JQWIXIFHSA-N 2 1 196.338 1.857 10 0 ADAEMP CCC[C@H]1C[N@@H+](C)CCC[NH2+]1 82941604 573315075 /nfs/dbraw/zinc/31/50/75/573315075.db2.gz COJCAUQHFRGHAB-VIFPVBQESA-N 2 1 156.273 1.080 10 0 ADAEMP CCC[N@H+]1CC(C)(C)NCC[C@H]1C 82943005 573315116 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165.240 1.244 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]1C(C)(C)C[NH3+] 259417267 573326574 /nfs/dbraw/zinc/32/65/74/573326574.db2.gz JIWFWJUWNSEXME-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC1(C)C([NH2+]C[C@@H]2CCC[NH2+]2)C1(C)C 86241202 573326853 /nfs/dbraw/zinc/32/68/53/573326853.db2.gz ZZJVXHQYIKQARL-VIFPVBQESA-N 2 1 196.338 1.763 10 0 ADAEMP Cc1ccc(C[NH2+]C[C@H](C)[NH3+])s1 50226806 573326871 /nfs/dbraw/zinc/32/68/71/573326871.db2.gz CJWTWCDAXARCDF-ZETCQYMHSA-N 2 1 184.308 1.493 10 0 ADAEMP Cc1[nH]c(CC[NH3+])c(C(C)C)[nH+]1 74335036 573326938 /nfs/dbraw/zinc/32/69/38/573326938.db2.gz HMKPAOAYTLBMJE-UHFFFAOYSA-N 2 1 167.256 1.343 10 0 ADAEMP CC1(C)C([N@H+]2CC[C@H](C[NH3+])C2)C1(C)C 86240425 573326972 /nfs/dbraw/zinc/32/69/72/573326972.db2.gz RAENWKWXIAJLCN-SECBINFHSA-N 2 1 196.338 1.702 10 0 ADAEMP CC1(C)C(C[N@@H+]2CC[C@H]([NH3+])C2)C1(C)C 86240368 573328595 /nfs/dbraw/zinc/32/85/95/573328595.db2.gz ICBKIZAYGIWFJZ-VIFPVBQESA-N 2 1 196.338 1.702 10 0 ADAEMP 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86240426 573329118 /nfs/dbraw/zinc/32/91/18/573329118.db2.gz RAENWKWXIAJLCN-VIFPVBQESA-N 2 1 196.338 1.702 10 0 ADAEMP CC1(C)C([NH2+]C[C@H]2CCC[NH2+]2)C1(C)C 86241203 573329183 /nfs/dbraw/zinc/32/91/83/573329183.db2.gz ZZJVXHQYIKQARL-SECBINFHSA-N 2 1 196.338 1.763 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CC2CCC1CC2 308549578 573329975 /nfs/dbraw/zinc/32/99/75/573329975.db2.gz WYHSCHWDPXPXIL-MOENNCHZSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@](C)(C[NH3+])[NH2+]C[C@@H](C)C1CC1 132671017 573330032 /nfs/dbraw/zinc/33/00/32/573330032.db2.gz SCLXERUZRWAGMY-MWLCHTKSSA-N 2 1 184.327 1.750 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C[C@H](C)C1CC1 132682513 573331549 /nfs/dbraw/zinc/33/15/49/573331549.db2.gz YUJUWCHBIGNHLT-GXSJLCMTSA-N 2 1 184.327 1.605 10 0 ADAEMP CC(C)C[C@H]([NH3+])[C@@H](C)[NH+](C)C 74342070 573331590 /nfs/dbraw/zinc/33/15/90/573331590.db2.gz XMJXZZPNMHDVQP-BDAKNGLRSA-N 2 1 158.289 1.310 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CC2CCC1CC2 308549577 573331734 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KAGMGDFOAFITBU-VIFPVBQESA-N 2 1 158.289 1.504 10 0 ADAEMP C[C@H]1CC[N@H+]1[C@@H](CN)C1CCCC1 235562983 573342564 /nfs/dbraw/zinc/34/25/64/573342564.db2.gz MDCBFWSRVPVRDC-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[N@@H+]1[C@@H](C[NH3+])C1CCCC1 235562983 573342573 /nfs/dbraw/zinc/34/25/73/573342573.db2.gz MDCBFWSRVPVRDC-ONGXEEELSA-N 2 1 182.311 1.598 10 0 ADAEMP [NH3+]CC1([N@H+]2CC[C@H]3CCCC[C@@H]32)CC1 236173661 573342609 /nfs/dbraw/zinc/34/26/09/573342609.db2.gz IJGHXGQBZXLLAY-MNOVXSKESA-N 2 1 194.322 1.742 10 0 ADAEMP CCC[NH2+][C@H](C[NH3+])C1CCCC1 50272449 573342613 /nfs/dbraw/zinc/34/26/13/573342613.db2.gz PTFPWUUUHPPGTO-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+][C@H](C[NH3+])[C@@H](C)c1ccccc1 50270350 573342626 /nfs/dbraw/zinc/34/26/26/573342626.db2.gz YFVSAYBPVMSRLB-CMPLNLGQSA-N 2 1 192.306 1.727 10 0 ADAEMP C[NH2+]CC/C=C\[C@H]1CC[N@@H+](C)C1 258288319 573342627 /nfs/dbraw/zinc/34/26/27/573342627.db2.gz TVMXMKPSTXJYIF-ATPLWMGHSA-N 2 1 168.284 1.104 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@H]2C[NH2+]C(C)(C)C2)C1 258307823 573342728 /nfs/dbraw/zinc/34/27/28/573342728.db2.gz VEKXBIUANUWEHP-GHMZBOCLSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)c1c[nH]c(C[C@@H]2CC[NH2+]C2)[nH+]1 86276583 573347245 /nfs/dbraw/zinc/34/72/45/573347245.db2.gz QWKZNCXWQHUJBZ-VIFPVBQESA-N 2 1 193.294 1.685 10 0 ADAEMP CC(C)c1c[nH+]cn1CC[NH2+]C1CC1 132896028 573347279 /nfs/dbraw/zinc/34/72/79/573347279.db2.gz OLIXWKZIOSOKEQ-UHFFFAOYSA-N 2 1 193.294 1.759 10 0 ADAEMP CCC[C@](C)(C[NH3+])[NH2+]C1CC1 50271276 573347284 /nfs/dbraw/zinc/34/72/84/573347284.db2.gz DVYGJKRQNFWQFB-SECBINFHSA-N 2 1 156.273 1.256 10 0 ADAEMP CCCCC[C@@H](C[NH3+])[NH2+]C1CC1 50271102 573347305 /nfs/dbraw/zinc/34/73/05/573347305.db2.gz POZSPCUSVAQVRZ-JTQLQIEISA-N 2 1 170.300 1.646 10 0 ADAEMP C[N@@H+](CCC1CC1)CC[C@H]1CCC[NH2+]1 308556322 573347436 /nfs/dbraw/zinc/34/74/36/573347436.db2.gz ZNVZQQOIPZXRRP-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@@H]1C 86272685 573347522 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133185644 573386137 /nfs/dbraw/zinc/38/61/37/573386137.db2.gz JUBUMNWBEWIKNQ-BDAKNGLRSA-N 2 1 170.300 1.230 10 0 ADAEMP C[C@@H](C[NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 133180693 573386212 /nfs/dbraw/zinc/38/62/12/573386212.db2.gz SCPZLECDXJFMKD-JQWIXIFHSA-N 2 1 196.338 1.764 10 0 ADAEMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1(C)CCC1 235579490 573386381 /nfs/dbraw/zinc/38/63/81/573386381.db2.gz VUNIWVSLINREJP-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CC[C@@H](C/C=C\CC[NH3+])C1 258011710 573388547 /nfs/dbraw/zinc/38/85/47/573388547.db2.gz BBSPRKJHTCZJQW-DLRQAJBASA-N 2 1 182.311 1.623 10 0 ADAEMP C1C[C@H]2[C@@H]3[NH2+]CC[C@H]3CCC[N@H+]2C1 257810257 573396363 /nfs/dbraw/zinc/39/63/63/573396363.db2.gz AIMTYHZWOIZLNP-OUAUKWLOSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@H]1C[C@H]1N1CCC[NH2+]C(C)(C)C1 83093084 573396756 /nfs/dbraw/zinc/39/67/56/573396756.db2.gz OYBCSTYDDYVGFC-VHSXEESVSA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091514 573396829 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HIWGSCACQPUMFK-NSHDSACASA-N 2 1 190.290 1.564 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@H]2CCC[C@H]2C)CCCN1 83093279 573398357 /nfs/dbraw/zinc/39/83/57/573398357.db2.gz ZBQIAJDFHUROPV-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2C)CCCN1 83093283 573398379 /nfs/dbraw/zinc/39/83/79/573398379.db2.gz ZBQIAJDFHUROPV-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP C[C@@]1(C2CC2)C[N@H+](C2CC2)CCC[NH2+]1 83091529 573398448 /nfs/dbraw/zinc/39/84/48/573398448.db2.gz OYODFOIKVIEYCR-LBPRGKRZSA-N 2 1 194.322 1.613 10 0 ADAEMP CC[C@@H](C)[C@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091506 573398559 /nfs/dbraw/zinc/39/85/59/573398559.db2.gz PCZHJIMGYFVMSF-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP COc1cc[nH+]cc1C1CC[NH2+]CC1 238387040 573398854 /nfs/dbraw/zinc/39/88/54/573398854.db2.gz PQVSADLUCCNYTC-UHFFFAOYSA-N 2 1 192.262 1.557 10 0 ADAEMP CC[C@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091516 573398857 /nfs/dbraw/zinc/39/88/57/573398857.db2.gz UWRXKBZPHVQUPN-VIFPVBQESA-N 2 1 168.284 1.223 10 0 ADAEMP CSCC[N@@H+]1CCC[NH2+][C@H](C)C1 83093481 573398909 /nfs/dbraw/zinc/39/89/09/573398909.db2.gz OAEAPLAFUZMKAY-SECBINFHSA-N 2 1 188.340 1.033 10 0 ADAEMP C1C[C@H]2[C@H]3[NH2+]CC[C@H]3CCC[N@H+]2C1 257810258 573399362 /nfs/dbraw/zinc/39/93/62/573399362.db2.gz AIMTYHZWOIZLNP-VWYCJHECSA-N 2 1 180.295 1.223 10 0 ADAEMP CC[C@]1(C)CN([C@@H]2C[C@@H]2C)CCC[NH2+]1 83093126 573399504 /nfs/dbraw/zinc/39/95/04/573399504.db2.gz WHZHXTLCTCALMO-QJPTWQEYSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C)[C@H]1C[N@H+](C2CC2)CCC[NH2+]1 83091533 573398677 /nfs/dbraw/zinc/39/86/77/573398677.db2.gz GTEPANYBPSIAON-LLVKDONJSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)(C[NH3+])[C@H]([NH3+])c1cccs1 259440130 573400079 /nfs/dbraw/zinc/40/00/79/573400079.db2.gz PXHPNDPQKKWSOT-MRVPVSSYSA-N 2 1 184.308 1.733 10 0 ADAEMP C1C[C@@H]2CC[NH2+][C@@H]2[C@H]2CCC[N@@H+]2C1 257810255 573400127 /nfs/dbraw/zinc/40/01/27/573400127.db2.gz AIMTYHZWOIZLNP-MXWKQRLJSA-N 2 1 180.295 1.223 10 0 ADAEMP CC[NH2+]CC[NH+]1C[C@@H]2CCC[C@H]2C1 126178600 573400235 /nfs/dbraw/zinc/40/02/35/573400235.db2.gz OSIUTKGRBFFOHP-QWRGUYRKSA-N 2 1 182.311 1.328 10 0 ADAEMP CC(C)(C[NH3+])[C@@H]([NH3+])c1cccs1 259440134 573400266 /nfs/dbraw/zinc/40/02/66/573400266.db2.gz PXHPNDPQKKWSOT-QMMMGPOBSA-N 2 1 184.308 1.733 10 0 ADAEMP [NH3+]C1(C[NH+]2CC3(CCCC3)C2)CCC1 236204769 573400273 /nfs/dbraw/zinc/40/02/73/573400273.db2.gz KCJQKTLJNFTIPG-UHFFFAOYSA-N 2 1 194.322 1.744 10 0 ADAEMP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccco2)C1 86396763 573406975 /nfs/dbraw/zinc/40/69/75/573406975.db2.gz MBMAJRDEPQPRLG-IUCAKERBSA-N 2 1 180.251 1.249 10 0 ADAEMP CC(C)(C)c1c[nH+]cn1CCC[NH3+] 133494354 573406464 /nfs/dbraw/zinc/40/64/64/573406464.db2.gz VHABBLQAWSZRAC-UHFFFAOYSA-N 2 1 181.283 1.529 10 0 ADAEMP CCCc1c[nH+]cn1CC[NH2+]C1CC1 133506819 573406587 /nfs/dbraw/zinc/40/65/87/573406587.db2.gz JSKPWWOOHHIFHY-UHFFFAOYSA-N 2 1 193.294 1.588 10 0 ADAEMP Cc1ccc(C[NH2+][C@H]2CC[C@H]([NH3+])C2)o1 86400313 573406588 /nfs/dbraw/zinc/40/65/88/573406588.db2.gz SMMKTVZJMNMESC-UWVGGRQHSA-N 2 1 194.278 1.557 10 0 ADAEMP C[NH2+]CCn1c[nH+]cc1CC(C)(C)C 133501680 573406708 /nfs/dbraw/zinc/40/67/08/573406708.db2.gz KVPKRJWSHIIPAY-UHFFFAOYSA-N 2 1 195.310 1.691 10 0 ADAEMP CCCc1c[nH+]cn1CC[C@H](C)[NH3+] 133512649 573406777 /nfs/dbraw/zinc/40/67/77/573406777.db2.gz WWYSGXRUSVWNAS-VIFPVBQESA-N 2 1 181.283 1.573 10 0 ADAEMP C[NH2+]C[C@@H](C)Cn1c[nH+]cc1C1CC1 133567698 573412392 /nfs/dbraw/zinc/41/23/92/573412392.db2.gz JLANDVDNEOBBBO-SECBINFHSA-N 2 1 193.294 1.616 10 0 ADAEMP [NH3+]C[C@H](C1CC1)n1c[nH+]cc1C1CC1 133541606 573412545 /nfs/dbraw/zinc/41/25/45/573412545.db2.gz OGHYQRPSQLOIOB-SNVBAGLBSA-N 2 1 191.278 1.670 10 0 ADAEMP Nc1cc[nH+]cc1[C@@H]([NH3+])C1CCC1 83121283 573412694 /nfs/dbraw/zinc/41/26/94/573412694.db2.gz AGUFUFGKXYAZRR-JTQLQIEISA-N 2 1 177.251 1.464 10 0 ADAEMP CC[C@@H]([NH3+])Cn1c[nH+]cc1C1CC1 133530748 573412802 /nfs/dbraw/zinc/41/28/02/573412802.db2.gz UGZJTQMLTWNFPA-SECBINFHSA-N 2 1 179.267 1.498 10 0 ADAEMP CC(C)[N@H+]1C[C@H](C[NH3+])CCC1(C)C 259442302 573412823 /nfs/dbraw/zinc/41/28/23/573412823.db2.gz OOYQSWCISGLHRE-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@H](C)Cn1c[nH+]cc1C1CC1 133567502 573413088 /nfs/dbraw/zinc/41/30/88/573413088.db2.gz JLANDVDNEOBBBO-VIFPVBQESA-N 2 1 193.294 1.616 10 0 ADAEMP CCC[NH2+][C@H]1C[NH2+]C(C)(C)C1 258647317 573417093 /nfs/dbraw/zinc/41/70/93/573417093.db2.gz FOXGXPUPCMXMFQ-MRVPVSSYSA-N 2 1 156.273 1.127 10 0 ADAEMP C[C@@H]1C[C@H](C[C@H]2CCCC[N@H+]2C)C[NH2+]1 258336824 573416405 /nfs/dbraw/zinc/41/64/05/573416405.db2.gz XMSQCHYFTNFUJW-IJLUTSLNSA-N 2 1 196.338 1.859 10 0 ADAEMP CCCc1c[nH+]cn1[C@H](C[NH3+])C1CC1 133541181 573416468 /nfs/dbraw/zinc/41/64/68/573416468.db2.gz QAURIAFTHWQXRX-LLVKDONJSA-N 2 1 193.294 1.745 10 0 ADAEMP C[N@H+](Cc1ccco1)[C@@H]1CC[C@H]([NH3+])C1 86410249 573416558 /nfs/dbraw/zinc/41/65/58/573416558.db2.gz DZWBOPKSEVPTIO-VHSXEESVSA-N 2 1 194.278 1.591 10 0 ADAEMP C[N@@H+](Cc1ccco1)[C@@H]1CC[C@H]([NH3+])C1 86410249 573416566 /nfs/dbraw/zinc/41/65/66/573416566.db2.gz DZWBOPKSEVPTIO-VHSXEESVSA-N 2 1 194.278 1.591 10 0 ADAEMP CC[N@@H+](C(C)C)[C@H]1CCC[C@H]([NH3+])C1 86410085 573416590 /nfs/dbraw/zinc/41/65/90/573416590.db2.gz VRQZZGOKVAYYAY-QWRGUYRKSA-N 2 1 184.327 1.987 10 0 ADAEMP CC[NH2+]CC[C@H]1[NH2+]Cc2ccccc21 258336544 573416651 /nfs/dbraw/zinc/41/66/51/573416651.db2.gz YNWRCGUKXQTTNU-GFCCVEGCSA-N 2 1 190.290 1.831 10 0 ADAEMP CC(C)Cc1c[nH+]cn1CC(C)(C)[NH3+] 133570259 573416652 /nfs/dbraw/zinc/41/66/52/573416652.db2.gz OBCBLYBSRRJSFX-UHFFFAOYSA-N 2 1 195.310 1.819 10 0 ADAEMP CC1(C)CO[C@H](CC[NH+]2CCCC2)[NH2+]1 258335977 573416714 /nfs/dbraw/zinc/41/67/14/573416714.db2.gz DXJDRRWHBNDKNX-SNVBAGLBSA-N 2 1 198.310 1.197 10 0 ADAEMP CCCc1c[nH+]cn1C[C@@H](C)C[NH2+]C 133567144 573416727 /nfs/dbraw/zinc/41/67/27/573416727.db2.gz GQRBJPLFFMGJNK-JTQLQIEISA-N 2 1 195.310 1.691 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC[C@H]([NH3+])C1 86410077 573416728 /nfs/dbraw/zinc/41/67/28/573416728.db2.gz BEMMPNALWHDCNC-WPRPVWTQSA-N 2 1 168.284 1.351 10 0 ADAEMP CCC[N@@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86410125 573416934 /nfs/dbraw/zinc/41/69/34/573416934.db2.gz LBZLFIOEUFTUHO-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86409672 573416966 /nfs/dbraw/zinc/41/69/66/573416966.db2.gz ROTRRMNXQLWHKN-DTWKUNHWSA-N 2 1 156.273 1.206 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86410333 573417019 /nfs/dbraw/zinc/41/70/19/573417019.db2.gz YTASQNJWDXNAQF-ADEWGFFLSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@@H]1C[C@H](C[C@@H]2CCCC[N@H+]2C)C[NH2+]1 258336826 573419146 /nfs/dbraw/zinc/41/91/46/573419146.db2.gz XMSQCHYFTNFUJW-UTUOFQBUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@@H+](C1CC1)[C@H]1CCC[C@H]([NH3+])C1 86410070 573419232 /nfs/dbraw/zinc/41/92/32/573419232.db2.gz ZYGVKFGRKLPJDV-ONGXEEELSA-N 2 1 182.311 1.741 10 0 ADAEMP C[N@@H+](C1CC1)[C@@H]1CCC[C@H]([NH3+])C1 86410075 573419383 /nfs/dbraw/zinc/41/93/83/573419383.db2.gz BEMMPNALWHDCNC-WCBMZHEXSA-N 2 1 168.284 1.351 10 0 ADAEMP CC[N@H+]1CC[C@@H](C/C=C\C[NH2+]C)C1 258336712 573419454 /nfs/dbraw/zinc/41/94/54/573419454.db2.gz XLMUZXRFAFNROX-DOGVGXBMSA-N 2 1 182.311 1.494 10 0 ADAEMP CC[C@@H]([NH3+])Cn1c[nH+]cc1C1CCC1 133696796 573419487 /nfs/dbraw/zinc/41/94/87/573419487.db2.gz SHHHEZGQFYSASK-SNVBAGLBSA-N 2 1 193.294 1.888 10 0 ADAEMP CC[N@@H+](C(C)C)[C@@H]1CC[C@H]([NH3+])C1 86410087 573419623 /nfs/dbraw/zinc/41/96/23/573419623.db2.gz MGAIZMKKWDLRMF-VHSXEESVSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[N@H+]1CC[C@@H](/C=C\CC[NH2+]C)C1 258335474 573419631 /nfs/dbraw/zinc/41/96/31/573419631.db2.gz XKCFEYFGJNOZIP-VLWUPBBWSA-N 2 1 182.311 1.494 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CCC[C@H]([NH3+])C1 86410057 573419669 /nfs/dbraw/zinc/41/96/69/573419669.db2.gz RPLUMNQWINFDLO-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CC[NH2+]CC[C@@H]1[NH2+]Cc2ccccc21 258336545 573419712 /nfs/dbraw/zinc/41/97/12/573419712.db2.gz YNWRCGUKXQTTNU-LBPRGKRZSA-N 2 1 190.290 1.831 10 0 ADAEMP [NH3+]CCCn1c[nH+]cc1C1CCC1 133675891 573419792 /nfs/dbraw/zinc/41/97/92/573419792.db2.gz NRFHMIMMTILMIN-UHFFFAOYSA-N 2 1 179.267 1.499 10 0 ADAEMP CC[C@H](C)c1c[nH+]cn1C[C@H](C)[NH3+] 133620522 573419813 /nfs/dbraw/zinc/41/98/13/573419813.db2.gz FKYYPKHAYPAYSJ-IUCAKERBSA-N 2 1 181.283 1.744 10 0 ADAEMP C[NH2+]CCn1c[nH+]cc1C1CCC1 133680456 573419936 /nfs/dbraw/zinc/41/99/36/573419936.db2.gz DJPIRYCTYXTADL-UHFFFAOYSA-N 2 1 179.267 1.370 10 0 ADAEMP CC(C)C[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86410134 573419965 /nfs/dbraw/zinc/41/99/65/573419965.db2.gz FRZYUPQVVOZIIM-VHSXEESVSA-N 2 1 170.300 1.454 10 0 ADAEMP CC(C)C[N@@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86410133 573419995 /nfs/dbraw/zinc/41/99/95/573419995.db2.gz NXQGKZVAPWLGPV-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86410147 573420013 /nfs/dbraw/zinc/42/00/13/573420013.db2.gz LAZJASYLNAOYGG-LPEHRKFASA-N 2 1 170.300 1.597 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C/C=C\C[NH3+])C1 258338664 573420036 /nfs/dbraw/zinc/42/00/36/573420036.db2.gz XNMCQCNWNRAPSA-DLRQAJBASA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@H]1CCC[NH2+][C@H]1C[NH2+]C1CC1 235594375 573421087 /nfs/dbraw/zinc/42/10/87/573421087.db2.gz SJYFDRSTAQSBFC-WPRPVWTQSA-N 2 1 168.284 1.127 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[NH3+])C1(C)C 107220458 573421102 /nfs/dbraw/zinc/42/11/02/573421102.db2.gz BUACGPRMQZWZSU-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]([NH3+])Cn1c[nH+]cc1C1CCC1 133696611 573420374 /nfs/dbraw/zinc/42/03/74/573420374.db2.gz SHHHEZGQFYSASK-JTQLQIEISA-N 2 1 193.294 1.888 10 0 ADAEMP CC[N@@H+](C)[C@H]1CCC[C@H]([NH3+])C1 86410060 573420407 /nfs/dbraw/zinc/42/04/07/573420407.db2.gz RPLUMNQWINFDLO-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86409815 573420416 /nfs/dbraw/zinc/42/04/16/573420416.db2.gz HZWAKCRAWQARHF-WHOHXGKFSA-N 2 1 196.338 1.844 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH3+])[C@H]1C 107220500 573423704 /nfs/dbraw/zinc/42/37/04/573423704.db2.gz LREHDADJMJUVPY-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86410127 573420441 /nfs/dbraw/zinc/42/04/41/573420441.db2.gz LKBUIKVSSFNMQL-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C/C=C\C[NH3+])C1 258338662 573420452 /nfs/dbraw/zinc/42/04/52/573420452.db2.gz XNMCQCNWNRAPSA-BYCRGOAPSA-N 2 1 182.311 1.622 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)[C@@H]1CC[C@H]([NH3+])C1 86410338 573420599 /nfs/dbraw/zinc/42/05/99/573420599.db2.gz ZOWGUWASSBATPL-DVVUODLYSA-N 2 1 182.311 1.597 10 0 ADAEMP CC[C@H]1C[C@@H](C[NH3+])CC[N@H+]1C 107220425 573423720 /nfs/dbraw/zinc/42/37/20/573423720.db2.gz YTDNYPNCIZZCFH-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]1[C@H]([NH2+]C)CCC[N@@H+]1C 107220529 573420851 /nfs/dbraw/zinc/42/08/51/573420851.db2.gz OARCZUPAEDFCPL-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@@H]1[C@H]([NH2+]C)CCC[N@H+]1C 107220529 573420856 /nfs/dbraw/zinc/42/08/56/573420856.db2.gz OARCZUPAEDFCPL-RKDXNWHRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@@H](C)c1c[nH+]cn1[C@@H](C)C[NH3+] 133623326 573420991 /nfs/dbraw/zinc/42/09/91/573420991.db2.gz RQYCKAIMVOYZJT-BDAKNGLRSA-N 2 1 181.283 1.916 10 0 ADAEMP CCC[N@@H+](C)CC[C@@H]([NH3+])C1CC1 130017079 573423752 /nfs/dbraw/zinc/42/37/52/573423752.db2.gz OGNIUVLOCITUGT-SNVBAGLBSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1[C@H](C[NH3+])CC(C)(C)[N@H+]1C 107220433 573423794 /nfs/dbraw/zinc/42/37/94/573423794.db2.gz UZJHKFJYXOVIPE-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 86431635 573423874 /nfs/dbraw/zinc/42/38/74/573423874.db2.gz OSFOULWHCWPPLE-HBNTYKKESA-N 2 1 182.311 1.741 10 0 ADAEMP C[C@H]([NH3+])CCn1c[nH+]cc1C1CCC1 133684407 573423885 /nfs/dbraw/zinc/42/38/85/573423885.db2.gz CGTUDXRRFOXQAU-VIFPVBQESA-N 2 1 193.294 1.888 10 0 ADAEMP C[NH2+][C@@H]1C[C@H](C)[N@@H+](C(C)C)C1 107220551 573423901 /nfs/dbraw/zinc/42/39/01/573423901.db2.gz GFEJRXLDLOEZSF-DTWKUNHWSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@@H]1C[C@H](C)[N@H+](C(C)C)C1 107220551 573423907 /nfs/dbraw/zinc/42/39/07/573423907.db2.gz GFEJRXLDLOEZSF-DTWKUNHWSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)C)[C@@H]1C 107220564 573423973 /nfs/dbraw/zinc/42/39/73/573423973.db2.gz HLKASOVPTUJQHP-BDAKNGLRSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C(C)C)[C@@H]1C 107220564 573423978 /nfs/dbraw/zinc/42/39/78/573423978.db2.gz HLKASOVPTUJQHP-BDAKNGLRSA-N 2 1 156.273 1.077 10 0 ADAEMP CN(C)C[C@H]1C[NH2+]Cc2ccccc21 83141903 573424016 /nfs/dbraw/zinc/42/40/16/573424016.db2.gz LDRDDIWVLGOPKF-LLVKDONJSA-N 2 1 190.290 1.435 10 0 ADAEMP CC[C@@H](C)c1c[nH+]cn1C[C@H](C)[NH3+] 133620321 573424040 /nfs/dbraw/zinc/42/40/40/573424040.db2.gz FKYYPKHAYPAYSJ-BDAKNGLRSA-N 2 1 181.283 1.744 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C(C)C)[C@H]1C 107220567 573424073 /nfs/dbraw/zinc/42/40/73/573424073.db2.gz HLKASOVPTUJQHP-IUCAKERBSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C(C)C)[C@H]1C 107220567 573424075 /nfs/dbraw/zinc/42/40/75/573424075.db2.gz HLKASOVPTUJQHP-IUCAKERBSA-N 2 1 156.273 1.077 10 0 ADAEMP CC[C@@H]1[C@@H](CC[NH3+])CC[N@H+]1C 107220450 573424140 /nfs/dbraw/zinc/42/41/40/573424140.db2.gz QMBZKQULBLULQB-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C 86433064 573424142 /nfs/dbraw/zinc/42/41/42/573424142.db2.gz WSZOXSKBXKZGIV-ZRUFSTJUSA-N 2 1 182.311 1.454 10 0 ADAEMP CCC[N@@H+](C)CC[C@H]([NH3+])C1CC1 130016879 573424182 /nfs/dbraw/zinc/42/41/82/573424182.db2.gz OGNIUVLOCITUGT-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+](Cc1ccoc1)[C@@H]1CC[C@H]([NH3+])C1 86431818 573424202 /nfs/dbraw/zinc/42/42/02/573424202.db2.gz RWASDWIZOXKXAQ-WDEREUQCSA-N 2 1 194.278 1.591 10 0 ADAEMP C[N@@H+](Cc1ccoc1)[C@@H]1CC[C@H]([NH3+])C1 86431818 573424209 /nfs/dbraw/zinc/42/42/09/573424209.db2.gz RWASDWIZOXKXAQ-WDEREUQCSA-N 2 1 194.278 1.591 10 0 ADAEMP CC[C@H]1C[C@H](C[NH3+])CC[N@H+]1C 107220416 573424214 /nfs/dbraw/zinc/42/42/14/573424214.db2.gz YTDNYPNCIZZCFH-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+][C@H]1C[C@@H](C)[N@@H+](C(C)C)C1 107220543 573424368 /nfs/dbraw/zinc/42/43/68/573424368.db2.gz GFEJRXLDLOEZSF-BDAKNGLRSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@H]1C[C@@H](C)[N@H+](C(C)C)C1 107220543 573424370 /nfs/dbraw/zinc/42/43/70/573424370.db2.gz GFEJRXLDLOEZSF-BDAKNGLRSA-N 2 1 156.273 1.077 10 0 ADAEMP C[N@@H+](CC1CC1)[C@H]1CCC[C@H]([NH3+])C1 86431640 573424380 /nfs/dbraw/zinc/42/43/80/573424380.db2.gz QNLUAYIFGUUVDH-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1[C@@H](C[NH3+])CC(C)(C)[N@H+]1C 107220438 573424398 /nfs/dbraw/zinc/42/43/98/573424398.db2.gz UZJHKFJYXOVIPE-JGVFFNPUSA-N 2 1 156.273 1.064 10 0 ADAEMP CCCC[N@@H+](C)CC[C@@H]([NH3+])C1CC1 130006376 573424409 /nfs/dbraw/zinc/42/44/09/573424409.db2.gz YSQMXKXDBMDWFD-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C 107220477 573424418 /nfs/dbraw/zinc/42/44/18/573424418.db2.gz AUQVPBNTDCQNEV-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1[NH2+]CC[N@@H+](C)[C@@H]2CCC[C@H]12 238390449 573424571 /nfs/dbraw/zinc/42/45/71/573424571.db2.gz PDIJOAXZXJCFJB-IVZWLZJFSA-N 2 1 168.284 1.079 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@@H]([NH3+])C1CC1 130007706 573424584 /nfs/dbraw/zinc/42/45/84/573424584.db2.gz CXJIKGTYHICABL-SNVBAGLBSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[C@@H]1C[C@@H](C[NH3+])CC[N@H+]1C 107220420 573424594 /nfs/dbraw/zinc/42/45/94/573424594.db2.gz YTDNYPNCIZZCFH-DTWKUNHWSA-N 2 1 156.273 1.066 10 0 ADAEMP CCC(C)(C)[N@@H+](C)[C@H]1CC[C@H]([NH3+])C1 86432920 573424634 /nfs/dbraw/zinc/42/46/34/573424634.db2.gz XGYKPHCFFWFIEY-UWVGGRQHSA-N 2 1 184.327 1.987 10 0 ADAEMP CN(C)C[C@@H]1C[NH2+]Cc2ccccc21 83141901 573424646 /nfs/dbraw/zinc/42/46/46/573424646.db2.gz LDRDDIWVLGOPKF-NSHDSACASA-N 2 1 190.290 1.435 10 0 ADAEMP C[N@@H+](CC1CC1)[C@@H]1CC[C@H]([NH3+])C1 86431642 573424694 /nfs/dbraw/zinc/42/46/94/573424694.db2.gz LMEUFBKFYLEMCX-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)CC1 86432869 573424792 /nfs/dbraw/zinc/42/47/92/573424792.db2.gz GSPSENOSRKPPLR-GRYCIOLGSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1[C@H](C[NH3+])CC(C)(C)[N@H+]1C 107220429 573424809 /nfs/dbraw/zinc/42/48/09/573424809.db2.gz UZJHKFJYXOVIPE-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+][C@@H]1CC[N@H+](C(C)C)[C@H]1C 107220559 573424909 /nfs/dbraw/zinc/42/49/09/573424909.db2.gz HLKASOVPTUJQHP-DTWKUNHWSA-N 2 1 156.273 1.077 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](C(C)C)[C@H]1C 107220559 573424916 /nfs/dbraw/zinc/42/49/16/573424916.db2.gz HLKASOVPTUJQHP-DTWKUNHWSA-N 2 1 156.273 1.077 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H]([NH3+])C1 86433017 573425012 /nfs/dbraw/zinc/42/50/12/573425012.db2.gz SHDINCDMUOSZQA-TUAOUCFPSA-N 2 1 196.338 1.987 10 0 ADAEMP C[C@H]1C[C@@H](C[NH3+])C(C)(C)[N@H+]1C 107220474 573425023 /nfs/dbraw/zinc/42/50/23/573425023.db2.gz KUYRDHRFZRHYGC-YUMQZZPRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H](F)C[NH3+])C1 257811503 573425108 /nfs/dbraw/zinc/42/51/08/573425108.db2.gz BEDSCYCBXBXTSF-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@@H]1CCC[C@H]([NH3+])C1 86432714 573425230 /nfs/dbraw/zinc/42/52/30/573425230.db2.gz QPUIXPXPRKCKME-NWDGAFQWSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1[NH2+]CC[N@@H+](C)[C@@H]2CCCC[C@H]12 238390433 573425232 /nfs/dbraw/zinc/42/52/32/573425232.db2.gz BUMAJROJJOVUNN-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP CC[C@@H]1C[C@H](C[NH3+])CC[N@H+]1C 107220414 573425249 /nfs/dbraw/zinc/42/52/49/573425249.db2.gz YTDNYPNCIZZCFH-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]([NH3+])C2)C1 86431693 573425252 /nfs/dbraw/zinc/42/52/52/573425252.db2.gz DERMVFAKZXACNO-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1CCC[N@@H+](CC[C@H]([NH3+])C2CC2)C1 130003589 573425289 /nfs/dbraw/zinc/42/52/89/573425289.db2.gz IYCGLTHQNWRIAX-PWSUYJOCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[C@H]1[C@H]([NH2+]C)CCC[N@@H+]1C 107220533 573425303 /nfs/dbraw/zinc/42/53/03/573425303.db2.gz OARCZUPAEDFCPL-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[C@H]1[C@H]([NH2+]C)CCC[N@H+]1C 107220533 573425309 /nfs/dbraw/zinc/42/53/09/573425309.db2.gz OARCZUPAEDFCPL-BDAKNGLRSA-N 2 1 156.273 1.079 10 0 ADAEMP C[N@@H+](CC[C@@H]([NH3+])C1CC1)C1CC1 130014057 573425314 /nfs/dbraw/zinc/42/53/14/573425314.db2.gz WHBGXSXFMQVKDH-SNVBAGLBSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[N@@H+](CC[C@@H]([NH3+])C1CC1)C(C)C 130014507 573425337 /nfs/dbraw/zinc/42/53/37/573425337.db2.gz BAZGEQXLNJCEOW-LLVKDONJSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@@H+](C)CC[C@H]([NH3+])C1CC1 130007489 573427209 /nfs/dbraw/zinc/42/72/09/573427209.db2.gz CXJIKGTYHICABL-JTQLQIEISA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])C1 86432717 573427220 /nfs/dbraw/zinc/42/72/20/573427220.db2.gz LOJSEBDHCCQLBX-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CC1(C)CCC[N@H+]([C@H]2CC[C@H]([NH3+])C2)C1 86432936 573427266 /nfs/dbraw/zinc/42/72/66/573427266.db2.gz PZDGQTTTYGAGRH-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C1CC1 130017801 573427307 /nfs/dbraw/zinc/42/73/07/573427307.db2.gz IANKTPXRKKXHGT-KOLCDFICSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](CC2([NH3+])CC2)C1 258028388 573427309 /nfs/dbraw/zinc/42/73/09/573427309.db2.gz NUVNHJCCZHUCAR-SNVBAGLBSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H](F)C[NH3+])C1 257811505 573427350 /nfs/dbraw/zinc/42/73/50/573427350.db2.gz BEDSCYCBXBXTSF-IUCAKERBSA-N 2 1 174.263 1.015 10 0 ADAEMP CC(C)[N@@H+]1CC=C(C[NH+](C)C)CC1 258029386 573427355 /nfs/dbraw/zinc/42/73/55/573427355.db2.gz KAMNBEZYSKKIAG-UHFFFAOYSA-N 2 1 182.311 1.589 10 0 ADAEMP CC1(C)CCC[N@H+]([C@@H]2CC[C@H]([NH3+])C2)C1 86432935 573427390 /nfs/dbraw/zinc/42/73/90/573427390.db2.gz PZDGQTTTYGAGRH-WDEREUQCSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccc[nH]1 258650276 573427391 /nfs/dbraw/zinc/42/73/91/573427391.db2.gz AOGDJSKYUIQORQ-SECBINFHSA-N 2 1 181.283 1.041 10 0 ADAEMP C[NH2+]C/C=C\C[C@@H]1CCC[N@H+]1C 258028965 573427570 /nfs/dbraw/zinc/42/75/70/573427570.db2.gz BYSUHEFNWUHIQO-UMBAGQNISA-N 2 1 168.284 1.246 10 0 ADAEMP CCC[N@@H+](CC)CC[C@@H]([NH3+])C1CC1 130015817 573427605 /nfs/dbraw/zinc/42/76/05/573427605.db2.gz NZNIMMXEIMXIQB-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](CC[C@H]([NH3+])C1CC1)C1CC1 130016517 573427705 /nfs/dbraw/zinc/42/77/05/573427705.db2.gz LZAVYQBYJPFIQU-LBPRGKRZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@@H]1C[C@@H](CC[NH3+])C[N@H+]1C1CC1 107223935 573430685 /nfs/dbraw/zinc/43/06/85/573430685.db2.gz GIKXXWMNJJTDRG-RKDXNWHRSA-N 2 1 168.284 1.208 10 0 ADAEMP CC[C@@H]1[N@@H+](C)CC[C@@]12CC[NH2+]C2 107223905 573430713 /nfs/dbraw/zinc/43/07/13/573430713.db2.gz QFFUDTSIWOHLLM-VHSXEESVSA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C1CC1 107223967 573430741 /nfs/dbraw/zinc/43/07/41/573430741.db2.gz ZIJZSKSPZPLBFX-IUCAKERBSA-N 2 1 168.284 1.208 10 0 ADAEMP C[C@H](C1CC1)[N@@H+](C)CC[C@H]([NH3+])C1CC1 130026046 573430778 /nfs/dbraw/zinc/43/07/78/573430778.db2.gz XBUBGTDZRGBTJR-SKDRFNHKSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1[N@@H+](C)CC[C@]12CCC[NH2+]C2 107223656 573430833 /nfs/dbraw/zinc/43/08/33/573430833.db2.gz GCDRPUICOVOBPX-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@@H](CNC2=[NH+]CCCC2)C1 86454729 573430846 /nfs/dbraw/zinc/43/08/46/573430846.db2.gz CQCTZDANOKIJHL-JTQLQIEISA-N 2 1 195.310 1.110 10 0 ADAEMP CC[C@H]1CCC[N@H+]1CC[C@H]([NH3+])C1CC1 130032841 573431026 /nfs/dbraw/zinc/43/10/26/573431026.db2.gz POURAKGVLKXHML-RYUDHWBXSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@]2(CC[NH2+]C2)C1(C)C 107223921 573431301 /nfs/dbraw/zinc/43/13/01/573431301.db2.gz SWMGBPBZTSDQQL-JTQLQIEISA-N 2 1 168.284 1.080 10 0 ADAEMP CC[C@@H]1[C@@H]([NH2+]C)CC[N@@H+]1C1CC1 107224017 573434241 /nfs/dbraw/zinc/43/42/41/573434241.db2.gz BNJLTPWEIOQNBK-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP CC[C@@H]1[C@@H]([NH2+]C)CC[N@H+]1C1CC1 107224017 573434248 /nfs/dbraw/zinc/43/42/48/573434248.db2.gz BNJLTPWEIOQNBK-VHSXEESVSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2[C@H]1C 107223883 573434442 /nfs/dbraw/zinc/43/44/42/573434442.db2.gz DAUQOQRZEUNBQL-KXUCPTDWSA-N 2 1 168.284 1.077 10 0 ADAEMP CC(C)[N@H+]1C[C@@H]2CC[NH2+][C@@H]2[C@H]1C 107223883 573434447 /nfs/dbraw/zinc/43/44/47/573434447.db2.gz DAUQOQRZEUNBQL-KXUCPTDWSA-N 2 1 168.284 1.077 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2C[NH2+]C(C)(C)C2)C1 258031308 573434628 /nfs/dbraw/zinc/43/46/28/573434628.db2.gz BZUNEMUSOIWQBA-VHSXEESVSA-N 2 1 182.311 1.326 10 0 ADAEMP C[C@@H]1C(C)(C)C=C[C@@H]([NH3+])[C@@]1(C)[NH3+] 238394798 573434765 /nfs/dbraw/zinc/43/47/65/573434765.db2.gz PMMWYNBZBNQNJS-MRTMQBJTSA-N 2 1 168.284 1.263 10 0 ADAEMP C[C@H]1CC2(CC[NH2+]CC2)C[N@H+]1C 107223677 573434780 /nfs/dbraw/zinc/43/47/80/573434780.db2.gz DQPGHVSSYUSBLJ-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP C[C@H]1[N@@H+](C)CCC[C@]12CC[NH2+]C2 107223914 573434827 /nfs/dbraw/zinc/43/48/27/573434827.db2.gz QSKYBSRIIIGXHA-NXEZZACHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC[N@@H+]1C[C@@H]([NH3+])CC1(C)C 258654102 573446775 /nfs/dbraw/zinc/44/67/75/573446775.db2.gz DOYULKNYWPUPGN-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CCC[N@H+]1C[C@@H]([NH3+])CC1(C)C 258654102 573446779 /nfs/dbraw/zinc/44/67/79/573446779.db2.gz DOYULKNYWPUPGN-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP CC(C)C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CC[N@H+]1C 107237552 573446814 /nfs/dbraw/zinc/44/68/14/573446814.db2.gz CKNLQHAJJIKVGY-QJPTWQEYSA-N 2 1 196.338 1.572 10 0 ADAEMP CCCC[C@@H](CC)C[NH2+]CC[NH3+] 50523713 573446815 /nfs/dbraw/zinc/44/68/15/573446815.db2.gz VDQVKPUWSIBXEI-SNVBAGLBSA-N 2 1 172.316 1.751 10 0 ADAEMP CCCC(C)(C)[N@H+]1CC[C@H](C[NH3+])C1 126260096 573446294 /nfs/dbraw/zinc/44/62/94/573446294.db2.gz AIBFGSFNGSOXDH-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@H+]1C[C@@]2(CCC[NH2+]C2)C[C@H]1C 107237448 573446304 /nfs/dbraw/zinc/44/63/04/573446304.db2.gz HLXIAVLPEGZJPH-NEPJUHHUSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@@H]1[C@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C 107237524 573446560 /nfs/dbraw/zinc/44/65/60/573446560.db2.gz BHWJUVUZOIYXEG-GRYCIOLGSA-N 2 1 196.338 1.572 10 0 ADAEMP CC(C)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]2CC[N@H+]1C 107237520 573446604 /nfs/dbraw/zinc/44/66/04/573446604.db2.gz BHWJUVUZOIYXEG-IJLUTSLNSA-N 2 1 196.338 1.572 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@H]2CC[N@@H+]1C 107237599 573446674 /nfs/dbraw/zinc/44/66/74/573446674.db2.gz MAKPJTOIRLUZPV-SDDRHHMPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@H]2CC[N@H+]1C 107237599 573446680 /nfs/dbraw/zinc/44/66/80/573446680.db2.gz MAKPJTOIRLUZPV-SDDRHHMPSA-N 2 1 196.338 1.715 10 0 ADAEMP CC[C@@H]1[N@@H+](C)CCC[C@@]12CCC[NH2+]C2 107237439 573446740 /nfs/dbraw/zinc/44/67/40/573446740.db2.gz FYXWZPLJAQDDHI-NWDGAFQWSA-N 2 1 196.338 1.860 10 0 ADAEMP CCC[N@H+]1C[C@@H](N)CC1(C)C 258654102 573446766 /nfs/dbraw/zinc/44/67/66/573446766.db2.gz DOYULKNYWPUPGN-QMMMGPOBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+]C/C=C\[C@H]1CCC[N@H+]1C(C)C 258353821 573457149 /nfs/dbraw/zinc/45/71/49/573457149.db2.gz YTHRZTILOUJMPE-QZPNVGJNSA-N 2 1 182.311 1.635 10 0 ADAEMP CC1(C)C[NH2+][C@@H](C[C@H]2CCC[NH2+]2)OC1 258364199 573457414 /nfs/dbraw/zinc/45/74/14/573457414.db2.gz GKMBMAXFHLDRAS-NXEZZACHSA-N 2 1 198.310 1.101 10 0 ADAEMP C[N@H+]1CCC2(CC[NH2+]CC2)[C@H](F)C1 257814509 573457710 /nfs/dbraw/zinc/45/77/10/573457710.db2.gz CJOKZAFTBIXBGI-SECBINFHSA-N 2 1 186.274 1.030 10 0 ADAEMP CC[N@H+]1CC[C@@](C[NH3+])(C(F)(F)F)C1 257814189 573457830 /nfs/dbraw/zinc/45/78/30/573457830.db2.gz CJXCUCRMRLZKGR-ZETCQYMHSA-N 2 1 196.216 1.219 10 0 ADAEMP C[NH2+]CC/C=C\[C@@H]1CC[N@H+](C(C)C)C1 258364449 573457845 /nfs/dbraw/zinc/45/78/45/573457845.db2.gz ZQQDTTYPDKDVAU-TXNVCOODSA-N 2 1 196.338 1.882 10 0 ADAEMP CCc1[nH+]cn(C[C@H](C)[NH3+])c1C 74335470 573468552 /nfs/dbraw/zinc/46/85/52/573468552.db2.gz UWBXMZFIBUTZQO-ZETCQYMHSA-N 2 1 167.256 1.101 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@@H]2[NH2+]C[C@@H](C)O2)C1 258397224 573467871 /nfs/dbraw/zinc/46/78/71/573467871.db2.gz IENBQEPTCGUNKJ-GMTAPVOTSA-N 2 1 198.310 1.053 10 0 ADAEMP C/C=C/CC[NH2+][C@]1(C[NH3+])C[C@H](C)[C@@H]1C 308592714 573467881 /nfs/dbraw/zinc/46/78/81/573467881.db2.gz WNCQDUMYDKMJIQ-NJQGNMFYSA-N 2 1 196.338 1.916 10 0 ADAEMP C[C@@H]1C[C@H]1C[N@@H+](C)CC[C@H]([NH3+])C1CC1 130105605 573467941 /nfs/dbraw/zinc/46/79/41/573467941.db2.gz COZHGCRWGJYURE-USWWRNFRSA-N 2 1 196.338 1.702 10 0 ADAEMP CC(C)[N@H+]1CCC[NH2+]CC[C@H]1C 259461226 573468120 /nfs/dbraw/zinc/46/81/20/573468120.db2.gz QBXOVMHSMBAJNH-SNVBAGLBSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@H]2[NH2+]C[C@H](C)O2)C1 258397222 573468193 /nfs/dbraw/zinc/46/81/93/573468193.db2.gz IENBQEPTCGUNKJ-AXFHLTTASA-N 2 1 198.310 1.053 10 0 ADAEMP CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]32)CCC1 686244785 573468250 /nfs/dbraw/zinc/46/82/50/573468250.db2.gz KPYRUJXJIJRVRD-GHMZBOCLSA-N 2 1 194.322 1.470 10 0 ADAEMP C[N@H+]1CC[C@H](C[C@@H]2[NH2+]C(C)(C)CO2)C1 258397115 573468252 /nfs/dbraw/zinc/46/82/52/573468252.db2.gz ICPWNNAZMOBIFD-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]32)CCC1 686244785 573468257 /nfs/dbraw/zinc/46/82/57/573468257.db2.gz KPYRUJXJIJRVRD-GHMZBOCLSA-N 2 1 194.322 1.470 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@H]2[NH2+]C[C@@H](C)O2)C1 258397231 573468432 /nfs/dbraw/zinc/46/84/32/573468432.db2.gz IENBQEPTCGUNKJ-MXWKQRLJSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@@H+](CC[C@@H]([NH3+])C1CC1)CC1CCC1 130091062 573468441 /nfs/dbraw/zinc/46/84/41/573468441.db2.gz QKQJCOHQZABXNF-GFCCVEGCSA-N 2 1 196.338 1.846 10 0 ADAEMP CC[N@H+]1CCC[C@H](C[NH2+]C)C1(C)C 259461163 573468499 /nfs/dbraw/zinc/46/84/99/573468499.db2.gz PZSPPQXNWVCEBM-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@](C)(F)C[NH3+])C1 257820672 573468748 /nfs/dbraw/zinc/46/87/48/573468748.db2.gz FUNGRJFTMGBREC-UWVGGRQHSA-N 2 1 188.290 1.405 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CO1 258386076 573468846 /nfs/dbraw/zinc/46/88/46/573468846.db2.gz HODTVXYDFWQNON-AXFHLTTASA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CO1 258386076 573468848 /nfs/dbraw/zinc/46/88/48/573468848.db2.gz HODTVXYDFWQNON-AXFHLTTASA-N 2 1 198.310 1.195 10 0 ADAEMP CC[N@H+]1CCC[C@H]1/C=C\CC[NH3+] 258357452 573468929 /nfs/dbraw/zinc/46/89/29/573468929.db2.gz YZVDRDXQIWJOPD-XICOKMJESA-N 2 1 168.284 1.376 10 0 ADAEMP CC1(C)C[NH2+][C@@](C)(C[C@@H]2CCC[NH2+]2)O1 258357601 573469191 /nfs/dbraw/zinc/46/91/91/573469191.db2.gz GBQQQUKKQAHZEG-GXSJLCMTSA-N 2 1 198.310 1.243 10 0 ADAEMP CC1(C)C[NH2+][C@](C)(C[C@H]2CCC[NH2+]2)O1 258357608 573469216 /nfs/dbraw/zinc/46/92/16/573469216.db2.gz GBQQQUKKQAHZEG-KOLCDFICSA-N 2 1 198.310 1.243 10 0 ADAEMP CC1(C)CCC[N@H+]1CC[C@H]([NH3+])C1CC1 130095664 573469331 /nfs/dbraw/zinc/46/93/31/573469331.db2.gz CATUWPQXNTXKEA-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@@H]2[NH2+]C[C@H](C)O2)C1 258397228 573469345 /nfs/dbraw/zinc/46/93/45/573469345.db2.gz IENBQEPTCGUNKJ-HBNTYKKESA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CC[C@H]([NH3+])C[C@H]1C(C)(C)C 107273855 573469551 /nfs/dbraw/zinc/46/95/51/573469551.db2.gz GGLDARBXQVZMFD-IUCAKERBSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@@H]2[NH2+]C(C)(C)CO2)C1 258397119 573469677 /nfs/dbraw/zinc/46/96/77/573469677.db2.gz ICPWNNAZMOBIFD-VHSXEESVSA-N 2 1 198.310 1.053 10 0 ADAEMP CC1(C)CCC[N@H+]1CC[C@@H]([NH3+])C1CC1 130095894 573469902 /nfs/dbraw/zinc/46/99/02/573469902.db2.gz CATUWPQXNTXKEA-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C(C)(C)C 107273849 573469914 /nfs/dbraw/zinc/46/99/14/573469914.db2.gz GGLDARBXQVZMFD-BDAKNGLRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+]1C[C@H]([NH3+])C[C@H]1C(C)(C)C 107273800 573469984 /nfs/dbraw/zinc/46/99/84/573469984.db2.gz XUZPWBMNWPCSIK-SFYZADRCSA-N 2 1 156.273 1.064 10 0 ADAEMP 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RZQIPUCQRAUQRW-SSDOTTSWSA-N 2 1 178.226 1.065 10 0 ADAEMP C[N@H+]1CCC[C@@H]1C(F)(F)CC[NH3+] 107282147 573475353 /nfs/dbraw/zinc/47/53/53/573475353.db2.gz RZQIPUCQRAUQRW-SSDOTTSWSA-N 2 1 178.226 1.065 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@H](F)CC[NH3+])C1 107282134 573475459 /nfs/dbraw/zinc/47/54/59/573475459.db2.gz OSPFZTPHIBYLEU-DTWKUNHWSA-N 2 1 174.263 1.015 10 0 ADAEMP C[N@@H+]1CCC[C@H]1C(F)(F)CC[NH3+] 107282150 573475666 /nfs/dbraw/zinc/47/56/66/573475666.db2.gz RZQIPUCQRAUQRW-ZETCQYMHSA-N 2 1 178.226 1.065 10 0 ADAEMP C[N@H+]1CCC[C@H]1C(F)(F)CC[NH3+] 107282150 573475672 /nfs/dbraw/zinc/47/56/72/573475672.db2.gz RZQIPUCQRAUQRW-ZETCQYMHSA-N 2 1 178.226 1.065 10 0 ADAEMP CC(C)[NH2+][C@]1(C[NH3+])CCC[C@@H]1C 83392723 573479235 /nfs/dbraw/zinc/47/92/35/573479235.db2.gz QDWFHCOGKGCNHI-UWVGGRQHSA-N 2 1 170.300 1.502 10 0 ADAEMP C[C@@H]1CCC[C@]1(C[NH3+])[NH2+]C1CC1 83392741 573479555 /nfs/dbraw/zinc/47/95/55/573479555.db2.gz WWABGHKRRNSBAD-PSASIEDQSA-N 2 1 168.284 1.256 10 0 ADAEMP 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1 182.311 1.328 10 0 ADAEMP Cc1c[nH+]c2n1CCC[C@@H]2C[NH3+] 107311057 573494278 /nfs/dbraw/zinc/49/42/78/573494278.db2.gz SIAZTWUKHAJNBB-MRVPVSSYSA-N 2 1 165.240 1.028 10 0 ADAEMP C[N@@H+](CCC1CC1)[C@H]1CC[C@H]([NH3+])C1 308393671 573494380 /nfs/dbraw/zinc/49/43/80/573494380.db2.gz BZGAXTNQBAZVLL-QWRGUYRKSA-N 2 1 182.311 1.598 10 0 ADAEMP CCCC[C@H]1C[C@H]([NH3+])CC[N@H+]1C 83426140 573494451 /nfs/dbraw/zinc/49/44/51/573494451.db2.gz FNGAUDKYJXEOIL-ZJUUUORDSA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@@H](CCCC[NH3+])[N@H+]1CC[C@@H](F)C1 689812659 573494565 /nfs/dbraw/zinc/49/45/65/573494565.db2.gz BBYABAHTQSMIJP-VHSXEESVSA-N 2 1 188.290 1.548 10 0 ADAEMP C[N@@H+]1CCC[C@@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258690275 573494610 /nfs/dbraw/zinc/49/46/10/573494610.db2.gz UEUYCWXZANZJMA-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258690275 573494613 /nfs/dbraw/zinc/49/46/13/573494613.db2.gz UEUYCWXZANZJMA-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP 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GOUIIRGSLQTBEA-UHFFFAOYSA-N 2 1 196.294 1.411 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@@H]2[NH2+]C[C@H](C)O2)C1 258700793 573500787 /nfs/dbraw/zinc/50/07/87/573500787.db2.gz UPRBWOVJUJWNMF-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP Cc1cn2c([nH+]1)CCC[C@H]2C[NH3+] 107312129 573500796 /nfs/dbraw/zinc/50/07/96/573500796.db2.gz LFPYPBSSRSPUHP-QMMMGPOBSA-N 2 1 165.240 1.028 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2[NH2+]C[C@H](C)O2)C1 258700793 573500801 /nfs/dbraw/zinc/50/08/01/573500801.db2.gz UPRBWOVJUJWNMF-GARJFASQSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H]([NH3+])[C@@H]1CCCc2[nH+]ccn21 107312209 573501032 /nfs/dbraw/zinc/50/10/32/573501032.db2.gz NAUJSMXOFPUAES-YUMQZZPRSA-N 2 1 165.240 1.108 10 0 ADAEMP CCCC[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1C 83428430 573501116 /nfs/dbraw/zinc/50/11/16/573501116.db2.gz XQFUBGCPIQRXAD-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CCCC[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C 83428430 573501121 /nfs/dbraw/zinc/50/11/21/573501121.db2.gz XQFUBGCPIQRXAD-VHSXEESVSA-N 2 1 170.300 1.598 10 0 ADAEMP CC[NH2+][C@]1(C[NH3+])CCC[C@H](C)CC1 83428276 573501191 /nfs/dbraw/zinc/50/11/91/573501191.db2.gz JNZKQDUZASONOI-WDEREUQCSA-N 2 1 184.327 1.894 10 0 ADAEMP CC[C@]1(C)C[C@H]1[N@H+]1CC[C@@H](C[NH2+]C)C1 397338277 573501195 /nfs/dbraw/zinc/50/11/95/573501195.db2.gz CNRZOWBSZAMLNR-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@]1(C2CCC2)CCC[N@H+]1C 258698911 573501227 /nfs/dbraw/zinc/50/12/27/573501227.db2.gz NBDQUXBECFXCCY-NSHDSACASA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@H](C)CC1 83428273 573501287 /nfs/dbraw/zinc/50/12/87/573501287.db2.gz GLCNHWKBQDQWTO-VHSXEESVSA-N 2 1 170.300 1.504 10 0 ADAEMP CC(C)[C@H]1[C@@H]([NH2+]C2CC2)CC[N@@H+]1C 107230144 573508670 /nfs/dbraw/zinc/50/86/70/573508670.db2.gz AZVZZTFWQKWZNF-QWRGUYRKSA-N 2 1 182.311 1.467 10 0 ADAEMP CC(C)[C@H]1[C@@H]([NH2+]C2CC2)CC[N@H+]1C 107230144 573508675 /nfs/dbraw/zinc/50/86/75/573508675.db2.gz AZVZZTFWQKWZNF-QWRGUYRKSA-N 2 1 182.311 1.467 10 0 ADAEMP CC[N@@H+]1CC[C@@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258709141 573508931 /nfs/dbraw/zinc/50/89/31/573508931.db2.gz UVXKQUKDYYUSSB-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[N@H+]1CC[C@@H]([C@@H]2[NH2+]CC(C)(C)O2)C1 258709141 573508936 /nfs/dbraw/zinc/50/89/36/573508936.db2.gz UVXKQUKDYYUSSB-NXEZZACHSA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@H]([C@H]1CCCC[NH2+]1)[NH+](C)C 259482176 573508980 /nfs/dbraw/zinc/50/89/80/573508980.db2.gz KSGLQDKGCPDBBE-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[C@@H]([C@H]1CCCC[NH2+]1)[NH+](C)C 259482184 573509144 /nfs/dbraw/zinc/50/91/44/573509144.db2.gz KSGLQDKGCPDBBE-ZJUUUORDSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+][C@H]1CCC[C@@H](n2cc[nH+]c2C)C1 86600626 573509252 /nfs/dbraw/zinc/50/92/52/573509252.db2.gz PYXAAEYDYFTRPR-WDEREUQCSA-N 2 1 193.294 1.895 10 0 ADAEMP C[NH2+][C@@H]1CCC[C@H]([N@@H+](C)C2CC2)C1 86599184 573509341 /nfs/dbraw/zinc/50/93/41/573509341.db2.gz BDBWOADKUQDUAT-KOLCDFICSA-N 2 1 182.311 1.611 10 0 ADAEMP Cc1ccc(C)c(C[NH2+]C[C@@H](C)[NH3+])c1 258732581 573519318 /nfs/dbraw/zinc/51/93/18/573519318.db2.gz KCSAQXBLBFLDDP-LLVKDONJSA-N 2 1 192.306 1.740 10 0 ADAEMP C[NH2+][C@@H]1CC[C@H]([N@@H+](C)C2CC2)C1 86618691 573519327 /nfs/dbraw/zinc/51/93/27/573519327.db2.gz SFWHVSDYLTXIJM-SCZZXKLOSA-N 2 1 168.284 1.221 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]([C@@H](F)C[NH3+])C1 257823166 573519504 /nfs/dbraw/zinc/51/95/04/573519504.db2.gz GNNBIKXUEDLNHV-ZJUUUORDSA-N 2 1 188.290 1.404 10 0 ADAEMP C[C@@H]([NH3+])C[N@@H+]1CCC2=C(CCCC2)C1 238423470 573519610 /nfs/dbraw/zinc/51/96/10/573519610.db2.gz PXUAQJGHXRUTPS-SNVBAGLBSA-N 2 1 194.322 1.910 10 0 ADAEMP C[C@@H]([NH3+])C[N@H+]1CCC2=C(CCCC2)C1 238423470 573519617 /nfs/dbraw/zinc/51/96/17/573519617.db2.gz PXUAQJGHXRUTPS-SNVBAGLBSA-N 2 1 194.322 1.910 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([C@@H](F)CC[NH3+])C1 257822558 573519675 /nfs/dbraw/zinc/51/96/75/573519675.db2.gz GIKSBWOIDQSXLZ-ZJUUUORDSA-N 2 1 188.290 1.404 10 0 ADAEMP C[C@H]([NH3+])C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 238424766 573519690 /nfs/dbraw/zinc/51/96/90/573519690.db2.gz GJVBZKQSWZTYGT-SRVKXCTJSA-N 2 1 196.338 1.988 10 0 ADAEMP CC[N@@H+](C)[C@@H]1CC[C@H]([NH2+]C)C1 86618663 573519721 /nfs/dbraw/zinc/51/97/21/573519721.db2.gz LWKQBILVRFNWLI-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C(F)(F)CN)C1 257822528 573519793 /nfs/dbraw/zinc/51/97/93/573519793.db2.gz GHRIEHLYKUXZOT-MRVPVSSYSA-N 2 1 192.253 1.311 10 0 ADAEMP CC(C)[N@@H+]1CC[C@@H](C(F)(F)C[NH3+])C1 257822528 573519800 /nfs/dbraw/zinc/51/98/00/573519800.db2.gz GHRIEHLYKUXZOT-MRVPVSSYSA-N 2 1 192.253 1.311 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C(F)(F)C[NH3+])C1 257822528 573519806 /nfs/dbraw/zinc/51/98/06/573519806.db2.gz GHRIEHLYKUXZOT-MRVPVSSYSA-N 2 1 192.253 1.311 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]CCc1cc[nH]c1 258756735 573532175 /nfs/dbraw/zinc/53/21/75/573532175.db2.gz GXMZHIXFULFZRW-LLVKDONJSA-N 2 1 195.310 1.130 10 0 ADAEMP [NH3+][C@H](c1ccc[nH]1)[C@@H]1CCC[NH2+]C1 259490326 573532323 /nfs/dbraw/zinc/53/23/23/573532323.db2.gz SXRZWOKPSZDLGC-SCZZXKLOSA-N 2 1 179.267 1.014 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1(C)C 259491547 573532614 /nfs/dbraw/zinc/53/26/14/573532614.db2.gz SCRDGMBLLIAWCK-SNVBAGLBSA-N 2 1 184.327 1.715 10 0 ADAEMP CCC(CC)C[NH2+]C(C)(C)C[NH3+] 130308462 573536744 /nfs/dbraw/zinc/53/67/44/573536744.db2.gz NXMNRFPDBJYTRW-UHFFFAOYSA-N 2 1 172.316 1.750 10 0 ADAEMP [NH3+]CC1([NH2+]C2CCOCC2)CCCC1 257824168 573537445 /nfs/dbraw/zinc/53/74/45/573537445.db2.gz FEMWTARCEFCCRV-UHFFFAOYSA-N 2 1 198.310 1.027 10 0 ADAEMP C[NH2+]C[C@@](C)(F)C[C@@H]1CC[N@@H+](C)C1 257829273 573537081 /nfs/dbraw/zinc/53/70/81/573537081.db2.gz IRVIAWOKFADINM-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@]12CCCC[C@@]1(C)C[NH+](CC[NH3+])C2 238430785 573537290 /nfs/dbraw/zinc/53/72/90/573537290.db2.gz BSACSQJSCRYXNF-RYUDHWBXSA-N 2 1 196.338 1.847 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)CCc1cc[nH]c1 258760892 573537291 /nfs/dbraw/zinc/53/72/91/573537291.db2.gz NDBKHARIRBOQHN-UHFFFAOYSA-N 2 1 195.310 1.099 10 0 ADAEMP Cc1[nH+]c[nH]c1C[C@@H]1CCC[NH2+]C1 257829046 573537415 /nfs/dbraw/zinc/53/74/15/573537415.db2.gz IQLALEWVQQMBRI-VIFPVBQESA-N 2 1 179.267 1.260 10 0 ADAEMP Cc1ccc(C[NH2+]C[C@@H](C)[NH3+])cc1C 258760912 573537698 /nfs/dbraw/zinc/53/76/98/573537698.db2.gz NDRDAJCSWJDNTF-LLVKDONJSA-N 2 1 192.306 1.740 10 0 ADAEMP C[C@H](C[NH3+])c1c[nH+]cn1C1CCC1 107339453 573537902 /nfs/dbraw/zinc/53/79/02/573537902.db2.gz AYDOZKKKIMIPLM-MRVPVSSYSA-N 2 1 179.267 1.670 10 0 ADAEMP Cc1nc(C2C[NH2+]C2)[nH]c1C1CCC1 257824341 573537903 /nfs/dbraw/zinc/53/79/03/573537903.db2.gz GTSUKBLKNHXSEE-UHFFFAOYSA-N 2 1 191.278 1.672 10 0 ADAEMP C[N@H+]1CCC=C(CCC2([NH3+])CC2)C1 257829453 573537939 /nfs/dbraw/zinc/53/79/39/573537939.db2.gz IWOCWMCJUZFHCH-UHFFFAOYSA-N 2 1 180.295 1.520 10 0 ADAEMP C[C@@H](C[NH3+])c1c[nH+]cn1C(C)(C)C 107343291 573538074 /nfs/dbraw/zinc/53/80/74/573538074.db2.gz AFRJHIHNUWYRMA-QMMMGPOBSA-N 2 1 181.283 1.700 10 0 ADAEMP Cc1[nH]c(C[C@@H]2CCCC[NH2+]2)[nH+]c1C 257824857 573546283 /nfs/dbraw/zinc/54/62/83/573546283.db2.gz HBIOUBQXNRDZQE-JTQLQIEISA-N 2 1 193.294 1.711 10 0 ADAEMP Cc1[nH]c(C(C)(C)C[NH3+])[nH+]c1C 258767771 573546326 /nfs/dbraw/zinc/54/63/26/573546326.db2.gz SUMVTAUOUFSLKC-UHFFFAOYSA-N 2 1 167.256 1.263 10 0 ADAEMP C[N@H+]1CCC[C@@H](C2CCC([NH3+])CC2)C1 259119720 573546609 /nfs/dbraw/zinc/54/66/09/573546609.db2.gz GFIMJZWRXIFVGK-MOENNCHZSA-N 2 1 196.338 1.846 10 0 ADAEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C21CC[NH2+]CC1 107360652 573546738 /nfs/dbraw/zinc/54/67/38/573546738.db2.gz RLPWMMHSMQMSCJ-PHIMTYICSA-N 2 1 194.322 1.328 10 0 ADAEMP Cc1c[nH+]c(N)c(C2=C[C@@H]([NH3+])CC2)c1 83548333 573549860 /nfs/dbraw/zinc/54/98/60/573549860.db2.gz GXNVBYCQPZEOGX-VIFPVBQESA-N 2 1 189.262 1.477 10 0 ADAEMP CCC[C@H](C[NH3+])CCc1[nH+]ccn1C 126514086 573554721 /nfs/dbraw/zinc/55/47/21/573554721.db2.gz AVVVIJANTJVRRI-JTQLQIEISA-N 2 1 195.310 1.728 10 0 ADAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C3CC3)C[C@H]2C1 257830241 573554769 /nfs/dbraw/zinc/55/47/69/573554769.db2.gz JEMGNDMBLQYAGP-OPRDCNLKSA-N 2 1 180.295 1.208 10 0 ADAEMP Cc1nc([C@@H](C)C[NH3+])[nH]c1CC(C)C 258771328 573554958 /nfs/dbraw/zinc/55/49/58/573554958.db2.gz UABLXEMMDWGZQG-QMMMGPOBSA-N 2 1 195.310 1.979 10 0 ADAEMP C[N@H+]1CCC[C@@]2(CCC[NH2+]CC2)CC1 82385547 573555060 /nfs/dbraw/zinc/55/50/60/573555060.db2.gz PNSPQZWXJKPROP-GFCCVEGCSA-N 2 1 196.338 1.862 10 0 ADAEMP C[NH2+][C@H](CC(C)(C)[NH3+])c1ccc(C)o1 259504967 573555143 /nfs/dbraw/zinc/55/51/43/573555143.db2.gz SIMOSYFKYZCNOR-SECBINFHSA-N 2 1 196.294 1.976 10 0 ADAEMP C[NH+](C)CC(C)(C)NC(=[NH2+])C1CC1 308619967 573555277 /nfs/dbraw/zinc/55/52/77/573555277.db2.gz RYUMERRCRXYXMI-UHFFFAOYSA-N 2 1 183.299 1.303 10 0 ADAEMP [NH3+][C@H]1CCCC[C@@H]1[NH+]1CC2(CCC2)C1 86663170 573555443 /nfs/dbraw/zinc/55/54/43/573555443.db2.gz INNCHBQBICTYOJ-QWRGUYRKSA-N 2 1 194.322 1.742 10 0 ADAEMP C[NH2+]C[C@H]1C[NH2+]Cc2ccc(C)cc21 257830274 573559992 /nfs/dbraw/zinc/55/99/92/573559992.db2.gz IZQSWTFLPRIRTA-NSHDSACASA-N 2 1 190.290 1.401 10 0 ADAEMP C[C@H]1CC[N@H+]1Cc1ccccc1C[NH3+] 86678032 573560050 /nfs/dbraw/zinc/56/00/50/573560050.db2.gz AWSFZFUSAQGYLK-JTQLQIEISA-N 2 1 190.290 1.740 10 0 ADAEMP CC(C)C1C[NH+]([C@@H]2CCCC[NH2+]C2)C1 86679252 573560092 /nfs/dbraw/zinc/56/00/92/573560092.db2.gz COSBSCMTOONCMB-GFCCVEGCSA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]C[C@@H]1C[NH2+]Cc2ccc(C)cc21 257830271 573560095 /nfs/dbraw/zinc/56/00/95/573560095.db2.gz IZQSWTFLPRIRTA-LLVKDONJSA-N 2 1 190.290 1.401 10 0 ADAEMP [NH3+][C@H]1CCC[C@H]1[NH+]1CC2(CCCC2)C1 86678285 573560207 /nfs/dbraw/zinc/56/02/07/573560207.db2.gz GUPJPJLMKKFVTO-WDEREUQCSA-N 2 1 194.322 1.742 10 0 ADAEMP CC(C)C1C[NH+]([C@H]2CCC[C@@H]2[NH3+])C1 86678302 573560243 /nfs/dbraw/zinc/56/02/43/573560243.db2.gz FXPBCQOHPHOWDV-QWRGUYRKSA-N 2 1 182.311 1.454 10 0 ADAEMP CCC1C[NH+]([C@@H]2CCC[C@@H]2[NH3+])C1 86678261 573560365 /nfs/dbraw/zinc/56/03/65/573560365.db2.gz AVMLSJGCRRNVBK-VHSXEESVSA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+]CC[N@H+](C)C[C@@H](C)CC(F)F 688725436 573560438 /nfs/dbraw/zinc/56/04/38/573560438.db2.gz FEMBOGMCGLYOGP-QMMMGPOBSA-N 2 1 194.269 1.429 10 0 ADAEMP C[NH2+]CC[N@@H+](C)C[C@@H](C)CC(F)F 688725436 573560441 /nfs/dbraw/zinc/56/04/41/573560441.db2.gz FEMBOGMCGLYOGP-QMMMGPOBSA-N 2 1 194.269 1.429 10 0 ADAEMP C[C@H]1CC[N@H+]1CC[C@@H]1CC[NH2+]C1 86678767 573560466 /nfs/dbraw/zinc/56/04/66/573560466.db2.gz GKFSXGBPIXYNHE-UWVGGRQHSA-N 2 1 168.284 1.080 10 0 ADAEMP CCC1(CC)C[NH+]([C@H]2CCC[C@@H]2[NH3+])C1 86678277 573560502 /nfs/dbraw/zinc/56/05/02/573560502.db2.gz IWWKJIKTPMUDCJ-QWRGUYRKSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H](C[NH3+])[NH+]1CC(C(C)(C)C)C1 86678909 573560519 /nfs/dbraw/zinc/56/05/19/573560519.db2.gz PWJTVHOZIYOBAK-MRVPVSSYSA-N 2 1 170.300 1.312 10 0 ADAEMP CCC1C[NH+]([C@H](CC)C[NH3+])C1 86679627 573560665 /nfs/dbraw/zinc/56/06/65/573560665.db2.gz NJSXOLJWBKPFNY-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP C[C@@]12CCCC[C@H]1NC[NH2+]C2 238432204 573565527 /nfs/dbraw/zinc/56/55/27/573565527.db2.gz IJGZSWZGARGIFA-BDAKNGLRSA-N 2 1 154.257 1.086 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@@]2(C)[NH2+]CCO2)C1 258781091 573565634 /nfs/dbraw/zinc/56/56/34/573565634.db2.gz XEGRCQPMNXFYRJ-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP C[NH2+]C1CCC([N@H+]2CC[C@@H]2C)CC1 86680524 573565707 /nfs/dbraw/zinc/56/57/07/573565707.db2.gz IPGPNMDVMASQNL-WHXUTIOJSA-N 2 1 182.311 1.611 10 0 ADAEMP C[C@H]1CC[N@H+]1Cc1cccc(C[NH3+])c1 86681820 573565938 /nfs/dbraw/zinc/56/59/38/573565938.db2.gz LMEMAOQHFCMGAG-JTQLQIEISA-N 2 1 190.290 1.740 10 0 ADAEMP C[C@H]1CC[N@H+]1Cc1ccc(C[NH3+])cc1 86681848 573568484 /nfs/dbraw/zinc/56/84/84/573568484.db2.gz RWRPLFAZNUUSRR-JTQLQIEISA-N 2 1 190.290 1.740 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+]1CC=C(C)CC1 75423258 573568561 /nfs/dbraw/zinc/56/85/61/573568561.db2.gz UUOGCCQUMCIIJM-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+]1CC=C(C)CC1 75423258 573568567 /nfs/dbraw/zinc/56/85/67/573568567.db2.gz UUOGCCQUMCIIJM-SNVBAGLBSA-N 2 1 168.284 1.376 10 0 ADAEMP Nc1cc[nH+]cc1[C@@H](F)[C@@H]1CCC[NH2+]1 236359225 573568708 /nfs/dbraw/zinc/56/87/08/573568708.db2.gz KOGHJPGLCKKNBU-VHSXEESVSA-N 2 1 195.241 1.426 10 0 ADAEMP C[C@]1(F)CCC[N@H+](CCC[NH3+])C1 258062703 573569032 /nfs/dbraw/zinc/56/90/32/573569032.db2.gz KUBFQXBCDGJKSH-VIFPVBQESA-N 2 1 174.263 1.159 10 0 ADAEMP C[C@@H]1CC[N@H+]1Cc1ccc(C[NH3+])cc1 86681846 573569809 /nfs/dbraw/zinc/56/98/09/573569809.db2.gz RWRPLFAZNUUSRR-SNVBAGLBSA-N 2 1 190.290 1.740 10 0 ADAEMP [NH3+]C[C@]1(F)CC[N@H+]2CCCC[C@H]2C1 257832324 573570005 /nfs/dbraw/zinc/57/00/05/573570005.db2.gz JZHVIEGDFIDQEG-UWVGGRQHSA-N 2 1 186.274 1.302 10 0 ADAEMP CC1=CC[N@H+](CC(C)(C)[NH3+])CC1 75423259 573570215 /nfs/dbraw/zinc/57/02/15/573570215.db2.gz BZGXLVSUAYKUFR-UHFFFAOYSA-N 2 1 168.284 1.376 10 0 ADAEMP CC1=CC[N@@H+](CC(C)(C)[NH3+])CC1 75423259 573570221 /nfs/dbraw/zinc/57/02/21/573570221.db2.gz BZGXLVSUAYKUFR-UHFFFAOYSA-N 2 1 168.284 1.376 10 0 ADAEMP CC(C)(C)[N@H+]1C[C@@H](C[NH3+])CC1(C)C 259515778 573570371 /nfs/dbraw/zinc/57/03/71/573570371.db2.gz UWIPDRXQMSKLTP-SECBINFHSA-N 2 1 184.327 1.844 10 0 ADAEMP [NH3+]CC1([C@H]([NH3+])c2ccccc2F)CC1 259514147 573573281 /nfs/dbraw/zinc/57/32/81/573573281.db2.gz RUOWXFXQUPKYLX-SNVBAGLBSA-N 2 1 194.253 1.564 10 0 ADAEMP C[C@H]1CCC[N@H+]1CCC(C)(C)C[NH3+] 83637011 573573353 /nfs/dbraw/zinc/57/33/53/573573353.db2.gz DKKQVZBRXISNNM-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H]([NH3+])[C@H]1CC[N@H+]2CCC[C@@H]2C1 107404508 573577034 /nfs/dbraw/zinc/57/70/34/573577034.db2.gz BSXHOFJPNAIJSP-LPEHRKFASA-N 2 1 168.284 1.208 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]2C1 107404545 573577221 /nfs/dbraw/zinc/57/72/21/573577221.db2.gz XEUOZPNVGNZKFM-VHSXEESVSA-N 2 1 168.284 1.223 10 0 ADAEMP C[N@H+]1CCC[C@@H]([C@@](C)(F)C[NH3+])C1 257833001 573577452 /nfs/dbraw/zinc/57/74/52/573577452.db2.gz KGTBXLFNIIEYPT-BDAKNGLRSA-N 2 1 174.263 1.015 10 0 ADAEMP C[C@H](C[NH3+])[C@H]1CC[N@H+]2CCC[C@H]12 107404455 573577484 /nfs/dbraw/zinc/57/74/84/573577484.db2.gz NTVMDKXBNWAUPA-OPRDCNLKSA-N 2 1 168.284 1.066 10 0 ADAEMP C[N@H+](Cc1cc[nH]c1)C[C@@H]1CC[NH2+]C1 258805395 573583900 /nfs/dbraw/zinc/58/39/00/573583900.db2.gz DDRJOHWZVLXRLY-LLVKDONJSA-N 2 1 193.294 1.056 10 0 ADAEMP C[N@@H+](Cc1ccc[nH]1)C[C@@H]1CC[NH2+]C1 258808006 573584085 /nfs/dbraw/zinc/58/40/85/573584085.db2.gz DKFAKOGJAOFCIZ-SNVBAGLBSA-N 2 1 193.294 1.056 10 0 ADAEMP C[N@H+](Cc1ccc[nH]1)C[C@@H]1CC[NH2+]C1 258808006 573584092 /nfs/dbraw/zinc/58/40/92/573584092.db2.gz DKFAKOGJAOFCIZ-SNVBAGLBSA-N 2 1 193.294 1.056 10 0 ADAEMP C[NH2+][C@H](C[C@H](C)[NH3+])c1ccc(C)o1 259519594 573584166 /nfs/dbraw/zinc/58/41/66/573584166.db2.gz SCLBJZIQUBBDKS-IONNQARKSA-N 2 1 182.267 1.586 10 0 ADAEMP C/C=C\C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 308403554 573585762 /nfs/dbraw/zinc/58/57/62/573585762.db2.gz DSWXBONDUVLKCQ-QUCGXOGASA-N 2 1 194.322 1.636 10 0 ADAEMP CO[C@]1(C)CCC[N@@H+](C/C=C\C[NH3+])C1 308403981 573585796 /nfs/dbraw/zinc/58/57/96/573585796.db2.gz GVFSIMGZLRSAEG-DLRQAJBASA-N 2 1 198.310 1.002 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)C[NH3+])C1 259520076 573585913 /nfs/dbraw/zinc/58/59/13/573585913.db2.gz SRUPIDRPQOJQBB-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP Cc1ccc([C@H](C[C@@H](C)[NH3+])[NH+](C)C)o1 259516630 573585934 /nfs/dbraw/zinc/58/59/34/573585934.db2.gz MNROWPUFAAFAJP-SCZZXKLOSA-N 2 1 196.294 1.928 10 0 ADAEMP CC1=C[C@H](C)[C@@H]2C[N@H+](C)C[C@@H]2[C@@H]1[NH3+] 238442118 573585994 /nfs/dbraw/zinc/58/59/94/573585994.db2.gz IBXKWTWHPOSMEQ-DMLMCSCLSA-N 2 1 180.295 1.088 10 0 ADAEMP C[N@@H+](Cc1ccc[nH]1)C[C@H]1CC[NH2+]C1 258808001 573586014 /nfs/dbraw/zinc/58/60/14/573586014.db2.gz DKFAKOGJAOFCIZ-JTQLQIEISA-N 2 1 193.294 1.056 10 0 ADAEMP C[N@H+](Cc1ccc[nH]1)C[C@H]1CC[NH2+]C1 258808001 573586019 /nfs/dbraw/zinc/58/60/19/573586019.db2.gz DKFAKOGJAOFCIZ-JTQLQIEISA-N 2 1 193.294 1.056 10 0 ADAEMP CCCC(C)(C)C[NH2+]CC[NH3+] 258801428 573586051 /nfs/dbraw/zinc/58/60/51/573586051.db2.gz RJASKOUHTIMOMB-UHFFFAOYSA-N 2 1 158.289 1.361 10 0 ADAEMP CCCc1[nH]c(C[C@@H](C)C[NH3+])[nH+]c1C 258803247 573586339 /nfs/dbraw/zinc/58/63/39/573586339.db2.gz WXQANVMAAPIYSD-MRVPVSSYSA-N 2 1 195.310 1.808 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+]1C[C@H]2CCC[C@H]2C1 126559748 573586400 /nfs/dbraw/zinc/58/64/00/573586400.db2.gz XPPAGCZDBJUTDL-SDDRHHMPSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CCC1CC1)C(C)C 308639598 573586486 /nfs/dbraw/zinc/58/64/86/573586486.db2.gz DJIDIZPHNKOVHR-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CCC1CC1)C(C)C 308639598 573586492 /nfs/dbraw/zinc/58/64/92/573586492.db2.gz DJIDIZPHNKOVHR-LBPRGKRZSA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)CCc1ccc[nH]1 258803496 573587437 /nfs/dbraw/zinc/58/74/37/573587437.db2.gz RRYCLUQYZGHFNN-UHFFFAOYSA-N 2 1 195.310 1.099 10 0 ADAEMP NC[C@@H]1CCC[N@@H+]1CCCC(F)F 688725629 573587514 /nfs/dbraw/zinc/58/75/14/573587514.db2.gz HEXMZPHAKVYBSO-QMMMGPOBSA-N 2 1 192.253 1.455 10 0 ADAEMP NC[C@@H]1CCC[N@H+]1CCCC(F)F 688725629 573587520 /nfs/dbraw/zinc/58/75/20/573587520.db2.gz HEXMZPHAKVYBSO-QMMMGPOBSA-N 2 1 192.253 1.455 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1[C@H]1C[NH2+][C@H](C)C1 258063788 573587699 /nfs/dbraw/zinc/58/76/99/573587699.db2.gz DWFOIMGFBURCGT-UTUOFQBUSA-N 2 1 196.338 1.857 10 0 ADAEMP C[C@H](CCC[NH3+])[N@@H+]1C[C@H]2CCC[C@H]2C1 126559998 573587743 /nfs/dbraw/zinc/58/77/43/573587743.db2.gz XPPAGCZDBJUTDL-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]([NH3+])CCC[N@@H+](C)Cc1ccc[nH]1 258802653 573587792 /nfs/dbraw/zinc/58/77/92/573587792.db2.gz CYIKEZYLOLXVTA-JTQLQIEISA-N 2 1 195.310 1.574 10 0 ADAEMP [NH3+][C@@H](C[C@H]1CCC[NH2+]1)c1ccc[nH]1 259117813 573587817 /nfs/dbraw/zinc/58/78/17/573587817.db2.gz BWBAZRWUKAXCHZ-BDAKNGLRSA-N 2 1 179.267 1.157 10 0 ADAEMP Cc1ccc([C@H](C[C@H](C)[NH3+])[NH+](C)C)o1 259516636 573587865 /nfs/dbraw/zinc/58/78/65/573587865.db2.gz MNROWPUFAAFAJP-WPRPVWTQSA-N 2 1 196.294 1.928 10 0 ADAEMP Cc1ccc([C@@H](C[C@H](C)[NH3+])[NH+](C)C)o1 259516633 573587888 /nfs/dbraw/zinc/58/78/88/573587888.db2.gz MNROWPUFAAFAJP-WCBMZHEXSA-N 2 1 196.294 1.928 10 0 ADAEMP C[NH2+][C@H](C[C@@H](C)[NH3+])c1ccc(C)o1 259519595 573587936 /nfs/dbraw/zinc/58/79/36/573587936.db2.gz SCLBJZIQUBBDKS-VXNVDRBHSA-N 2 1 182.267 1.586 10 0 ADAEMP [NH3+][C@H](C[C@@H]1CCC[NH2+]1)c1ccc[nH]1 259117815 573587956 /nfs/dbraw/zinc/58/79/56/573587956.db2.gz BWBAZRWUKAXCHZ-DTWKUNHWSA-N 2 1 179.267 1.157 10 0 ADAEMP C[C@@H]1CO[C@H](C[C@@H]2CCC[N@@H+](C)C2)[NH2+]1 258800040 573588031 /nfs/dbraw/zinc/58/80/31/573588031.db2.gz YBMZJHGOYPLZAA-OUAUKWLOSA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]1[C@@H]1C[NH2+][C@H](C)C1 258063789 573590911 /nfs/dbraw/zinc/59/09/11/573590911.db2.gz DWFOIMGFBURCGT-WOPDTQHZSA-N 2 1 196.338 1.857 10 0 ADAEMP [NH3+][C@H](C[C@H]1CCC[NH2+]1)c1ccc[nH]1 259117820 573590958 /nfs/dbraw/zinc/59/09/58/573590958.db2.gz BWBAZRWUKAXCHZ-RKDXNWHRSA-N 2 1 179.267 1.157 10 0 ADAEMP C[N@H+]1CC[C@@H](C[C@H]2[NH2+]CC(C)(C)O2)C1 258808923 573592255 /nfs/dbraw/zinc/59/22/55/573592255.db2.gz YGXMYTGIKMBMEY-UWVGGRQHSA-N 2 1 198.310 1.053 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 83699954 573592274 /nfs/dbraw/zinc/59/22/74/573592274.db2.gz JNRUWLOFZDMSKW-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]CCC1(C[N@H+]2CC[C@H](F)C2)CC1 689908681 573592390 /nfs/dbraw/zinc/59/23/90/573592390.db2.gz JRBRCWNRVUUYGT-VIFPVBQESA-N 2 1 186.274 1.159 10 0 ADAEMP Cc1ccc([C@@H]([C@H](C)C[NH3+])[NH+](C)C)o1 259520490 573592549 /nfs/dbraw/zinc/59/25/49/573592549.db2.gz MSCABJVNVIYDSS-LDYMZIIASA-N 2 1 196.294 1.786 10 0 ADAEMP CCCCC[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258813555 573593964 /nfs/dbraw/zinc/59/39/64/573593964.db2.gz UMDJFQZIYXABEC-JTQLQIEISA-N 2 1 184.327 1.907 10 0 ADAEMP C[NH2+][C@@H]1CC[NH2+][C@H](c2cccs2)C1 259134786 573593995 /nfs/dbraw/zinc/59/39/95/573593995.db2.gz IEXBXKQUDHQDOG-BDAKNGLRSA-N 2 1 196.319 1.761 10 0 ADAEMP CC1(C)C([NH2+][C@@H]2CC[NH2+]C2)C1(C)C 86731044 573594506 /nfs/dbraw/zinc/59/45/06/573594506.db2.gz OKMQEENIDUPNBA-MRVPVSSYSA-N 2 1 182.311 1.373 10 0 ADAEMP C[N@H+]1CCC[C@@H](C(=O)CC(C)(C)[NH3+])C1 259136338 573594549 /nfs/dbraw/zinc/59/45/49/573594549.db2.gz JWEQPZZKIXAIEF-SECBINFHSA-N 2 1 198.310 1.025 10 0 ADAEMP C[C@H]1C[N@@H+](C)[C@@H]2CCCC[C@@H]2C[NH2+]1 82394917 573598227 /nfs/dbraw/zinc/59/82/27/573598227.db2.gz JAMGCTPZONGPGB-HBNTYKKESA-N 2 1 182.311 1.469 10 0 ADAEMP C1CC[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C[C@@H]2C1 107428472 573598681 /nfs/dbraw/zinc/59/86/81/573598681.db2.gz NOBVHKBWGFQIQS-GRYCIOLGSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@H]([NH3+])CC[N@H+]1CCC[C@H]2CCC[C@@H]21 83700392 573598697 /nfs/dbraw/zinc/59/86/97/573598697.db2.gz ZWZPGLJAKFSERG-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C[NH2+][C@H]1CCC(C)(C)[N@@H+](C2CC2)C1 259525023 573602026 /nfs/dbraw/zinc/60/20/26/573602026.db2.gz VNOYDDJSKHPHPH-VIFPVBQESA-N 2 1 182.311 1.611 10 0 ADAEMP C[NH2+][C@H]1CCC(C)(C)[N@H+](C2CC2)C1 259525023 573602029 /nfs/dbraw/zinc/60/20/29/573602029.db2.gz VNOYDDJSKHPHPH-VIFPVBQESA-N 2 1 182.311 1.611 10 0 ADAEMP [NH3+]CCC[N@H+]1CCC[C@@H](F)CC1 258066926 573602551 /nfs/dbraw/zinc/60/25/51/573602551.db2.gz LBBSQVKOYFHOQG-SECBINFHSA-N 2 1 174.263 1.159 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCCC[C@H]1[NH3+] 86753427 573606870 /nfs/dbraw/zinc/60/68/70/573606870.db2.gz UEGGLYXCHJZKAT-VHSXEESVSA-N 2 1 193.294 1.480 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCCC[C@@H]1[NH3+] 86753424 573606883 /nfs/dbraw/zinc/60/68/83/573606883.db2.gz UEGGLYXCHJZKAT-UWVGGRQHSA-N 2 1 193.294 1.480 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CCC[C@H]1[NH3+] 86753456 573606945 /nfs/dbraw/zinc/60/69/45/573606945.db2.gz AKZQRFYTPUYOKJ-VHSXEESVSA-N 2 1 193.294 1.573 10 0 ADAEMP C[NH2+][C@@H]1CC[C@@H](Cc2[nH+]ccn2C)C1 86754033 573606981 /nfs/dbraw/zinc/60/69/81/573606981.db2.gz BKNUJJCUCSUCMX-NXEZZACHSA-N 2 1 193.294 1.351 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[C@H]1[NH3+] 86753447 573607050 /nfs/dbraw/zinc/60/70/50/573607050.db2.gz OHHCEOQSBYWMAD-DTWKUNHWSA-N 2 1 179.267 1.090 10 0 ADAEMP CC[NH2+]C[C@@H](C)CCc1[nH+]ccn1C 86754201 573607070 /nfs/dbraw/zinc/60/70/70/573607070.db2.gz BMPFGADENOIMTQ-JTQLQIEISA-N 2 1 195.310 1.598 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[C@H]([NH3+])C1 86753864 573607126 /nfs/dbraw/zinc/60/71/26/573607126.db2.gz UBSSQBVMDKSOFT-ZJUUUORDSA-N 2 1 193.294 1.480 10 0 ADAEMP C[C@@H]1[C@H]2CCC[C@@H]2[NH2+]CC[N@H+]1C 238447546 573607165 /nfs/dbraw/zinc/60/71/65/573607165.db2.gz UKVVIKJZHSFKPP-BBBLOLIVSA-N 2 1 168.284 1.079 10 0 ADAEMP CCn1cc[nH+]c1C[C@@H]1CCC[C@@H]1[NH3+] 86753451 573607235 /nfs/dbraw/zinc/60/72/35/573607235.db2.gz AKZQRFYTPUYOKJ-UWVGGRQHSA-N 2 1 193.294 1.573 10 0 ADAEMP C[NH2+][C@H]1CC[C@H](Cc2[nH+]ccn2C)C1 86754032 573607345 /nfs/dbraw/zinc/60/73/45/573607345.db2.gz BKNUJJCUCSUCMX-UWVGGRQHSA-N 2 1 193.294 1.351 10 0 ADAEMP C[C@@H]1[C@@H]([NH3+])CC[C@H]1Cc1[nH+]ccn1C 86754356 573607388 /nfs/dbraw/zinc/60/73/88/573607388.db2.gz HZOYKGGTAKCKRC-GUBZILKMSA-N 2 1 193.294 1.336 10 0 ADAEMP Cn1cc[nH+]c1C[C@@H]1CCC[C@@H]([NH3+])C1 86753868 573607403 /nfs/dbraw/zinc/60/74/03/573607403.db2.gz UBSSQBVMDKSOFT-NXEZZACHSA-N 2 1 193.294 1.480 10 0 ADAEMP [NH3+][C@H](c1cccnc1)[C@H]1CCC[NH2+]C1 259130260 573609869 /nfs/dbraw/zinc/60/98/69/573609869.db2.gz CKJSFCQOEQDZHC-WDEREUQCSA-N 2 1 191.278 1.081 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1Cc1[nH+]ccn1C 86753513 573610120 /nfs/dbraw/zinc/61/01/20/573610120.db2.gz MHEXUKSQFPAJRP-UWVGGRQHSA-N 2 1 193.294 1.351 10 0 ADAEMP CC[N@H+]1CCC(C)(C)[C@@H](C[NH3+])C1 259141211 573610170 /nfs/dbraw/zinc/61/01/70/573610170.db2.gz DQXWPNPNULVKJI-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP CCCC[NH2+][C@H]1C[NH2+]C(C)(C)C1 258822704 573611185 /nfs/dbraw/zinc/61/11/85/573611185.db2.gz VEFHXCCYOKCVCF-SECBINFHSA-N 2 1 170.300 1.517 10 0 ADAEMP CC[NH2+]CCCCCc1[nH+]ccn1C 126608874 573611241 /nfs/dbraw/zinc/61/12/41/573611241.db2.gz FXPBDOJGHGFTIC-UHFFFAOYSA-N 2 1 195.310 1.742 10 0 ADAEMP CCCC[NH2+][C@@H]1C[NH2+]C(C)(C)C1 258822707 573611320 /nfs/dbraw/zinc/61/13/20/573611320.db2.gz VEFHXCCYOKCVCF-VIFPVBQESA-N 2 1 170.300 1.517 10 0 ADAEMP 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NSVNRHBLOVIOFK-AXFHLTTASA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H](CCCC[NH3+])[NH2+]Cc1c[nH]cn1 308659973 573629234 /nfs/dbraw/zinc/62/92/34/573629234.db2.gz PFQCXNTYUGPNII-SECBINFHSA-N 2 1 196.298 1.017 10 0 ADAEMP CC[C@H](C[NH2+]C)[C@@H]([NH3+])c1cccs1 259132061 573629346 /nfs/dbraw/zinc/62/93/46/573629346.db2.gz AWVXRQMVDHGRRR-PSASIEDQSA-N 2 1 198.335 1.994 10 0 ADAEMP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)co1 130639625 573629365 /nfs/dbraw/zinc/62/93/65/573629365.db2.gz HXXTYMBLJNDIDF-SNVBAGLBSA-N 2 1 194.278 1.369 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)C(C)C 86808841 573629382 /nfs/dbraw/zinc/62/93/82/573629382.db2.gz UFFQOPJZCAXJNU-VIFPVBQESA-N 2 1 158.289 1.454 10 0 ADAEMP CC[C@](C)([NH3+])C[N@H+]1CC[C@H](C)C1 86809385 573632355 /nfs/dbraw/zinc/63/23/55/573632355.db2.gz SHRBYKFFMHEAIL-UWVGGRQHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[NH2+]C[C@H](c1[nH]c(C)c(C)[nH+]1)C(C)C 258826491 573632366 /nfs/dbraw/zinc/63/23/66/573632366.db2.gz ZDLCZHHDCDVQOL-JTQLQIEISA-N 2 1 195.310 1.986 10 0 ADAEMP 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XMBVYJQRBABSGW-UHFFFAOYSA-N 2 1 190.250 1.194 10 0 ADAEMP C[N@@H+](C1CC1)[C@H]1CCC(C)(C)[C@H]1[NH3+] 86856113 573656788 /nfs/dbraw/zinc/65/67/88/573656788.db2.gz KEMLISZXCHYZJC-UWVGGRQHSA-N 2 1 182.311 1.597 10 0 ADAEMP C[N@H+]1CCC[C@H]1c1cccc(C[NH3+])c1 257841719 573657026 /nfs/dbraw/zinc/65/70/26/573657026.db2.gz MKKSLINDILIDIL-LBPRGKRZSA-N 2 1 190.290 1.912 10 0 ADAEMP Cn1c[nH+]cc1CCC1CC[NH2+]CC1 83824092 573664342 /nfs/dbraw/zinc/66/43/42/573664342.db2.gz NXAYNCHGFDVHJX-UHFFFAOYSA-N 2 1 193.294 1.352 10 0 ADAEMP C[N@@H+](C[C@H]1CCC(C)(C)[C@@H]1[NH3+])C1CC1 86871263 573663564 /nfs/dbraw/zinc/66/35/64/573663564.db2.gz AXSKWQFSJVUHMM-MWLCHTKSSA-N 2 1 196.338 1.844 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])C(C)(C)C 258863964 573663606 /nfs/dbraw/zinc/66/36/06/573663606.db2.gz ZAFVSXDLJSCLLS-UHFFFAOYSA-N 2 1 172.316 1.844 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1cc[nH]c1 258856723 573663667 /nfs/dbraw/zinc/66/36/67/573663667.db2.gz IGYATHTUNMWIFV-UHFFFAOYSA-N 2 1 181.283 1.185 10 0 ADAEMP C[N@@H+](C[C@@H]1CCC(C)(C)[C@@H]1[NH3+])C1CC1 86871265 573663829 /nfs/dbraw/zinc/66/38/29/573663829.db2.gz AXSKWQFSJVUHMM-GXSJLCMTSA-N 2 1 196.338 1.844 10 0 ADAEMP CC1CC([NH2+]CC[C@@H]2CC[N@@H+](C)C2)C1 308666323 573664072 /nfs/dbraw/zinc/66/40/72/573664072.db2.gz SQQXAENEJRAYRE-MOENNCHZSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)CC[N@@H+]1CC=C(C[NH3+])CC1 259152970 573664169 /nfs/dbraw/zinc/66/41/69/573664169.db2.gz JPRIRPBYKHRZHX-UHFFFAOYSA-N 2 1 182.311 1.623 10 0 ADAEMP CC[N@@H+](C)C[C@@H]1CCC(C)(C)[C@@H]1[NH3+] 86871229 573668642 /nfs/dbraw/zinc/66/86/42/573668642.db2.gz WAXBHAWSLPLSEC-VHSXEESVSA-N 2 1 184.327 1.702 10 0 ADAEMP COc1cccc(C[NH2+]C[C@@H](C)[NH3+])c1 258857364 573668911 /nfs/dbraw/zinc/66/89/11/573668911.db2.gz YDWKGVCQMJCRLA-SECBINFHSA-N 2 1 194.278 1.132 10 0 ADAEMP CC1([NH2+]CC2([NH3+])CC2)CCCCC1 83837270 573679446 /nfs/dbraw/zinc/67/94/46/573679446.db2.gz DCVAAHFQLMAQJP-UHFFFAOYSA-N 2 1 182.311 1.790 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](C2CC(C)C2)C1 108018179 573679519 /nfs/dbraw/zinc/67/95/19/573679519.db2.gz SPDSLYRPYSQYJC-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](C2CC(C)C2)C1 108018179 573679525 /nfs/dbraw/zinc/67/95/25/573679525.db2.gz SPDSLYRPYSQYJC-MOENNCHZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CC2)C1 259617451 573679626 /nfs/dbraw/zinc/67/96/26/573679626.db2.gz DZXCEMGGKHMOBT-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@@H+](C2CC(C)C2)C1 108018182 573679666 /nfs/dbraw/zinc/67/96/66/573679666.db2.gz SPDSLYRPYSQYJC-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@H]1CCC[N@H+](C2CC(C)C2)C1 108018182 573679671 /nfs/dbraw/zinc/67/96/71/573679671.db2.gz SPDSLYRPYSQYJC-CXQJBGSLSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[N@H+]1CCC[C@@H](CC[NH3+])C1(C)C 259548187 573679775 /nfs/dbraw/zinc/67/97/75/573679775.db2.gz XDGPGIPMULANHA-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CC2)C1 259617425 573679886 /nfs/dbraw/zinc/67/98/86/573679886.db2.gz DZXCEMGGKHMOBT-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C1CC1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]21 686248729 573679905 /nfs/dbraw/zinc/67/99/05/573679905.db2.gz RBSTXGKBOAFFMO-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP C1CC1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]21 686248729 573679908 /nfs/dbraw/zinc/67/99/08/573679908.db2.gz RBSTXGKBOAFFMO-QWRGUYRKSA-N 2 1 180.295 1.080 10 0 ADAEMP C[C@H](C[NH3+])CC[N@@H+](C)C(C)(C)C 258875039 573682854 /nfs/dbraw/zinc/68/28/54/573682854.db2.gz JVMIMZWZOBPBJZ-VIFPVBQESA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+]CC(F)(F)[C@H]1CCC[N@H+](C)C1 257847246 573682221 /nfs/dbraw/zinc/68/22/21/573682221.db2.gz NYGYXKFUPLIWKK-QMMMGPOBSA-N 2 1 192.253 1.183 10 0 ADAEMP C[NH2+]CC(F)(F)[C@H]1CCC[N@@H+](C)C1 257847246 573682225 /nfs/dbraw/zinc/68/22/25/573682225.db2.gz NYGYXKFUPLIWKK-QMMMGPOBSA-N 2 1 192.253 1.183 10 0 ADAEMP C[C@@H]1CCC[C@@H]([C@@H]([NH3+])C[NH3+])C1 227548491 573682308 /nfs/dbraw/zinc/68/23/08/573682308.db2.gz DTKFUWWXOHNRFT-HLTSFMKQSA-N 2 1 156.273 1.099 10 0 ADAEMP CC[C@H]1CC[N@H+]1CCCC[NH+](C)C 308422353 573682381 /nfs/dbraw/zinc/68/23/81/573682381.db2.gz UINYSCYQRZFGEH-NSHDSACASA-N 2 1 184.327 1.813 10 0 ADAEMP CC(C)=CC[N@@H+](C)[C@H](CN)C1CC1 126770317 573682684 /nfs/dbraw/zinc/68/26/84/573682684.db2.gz RSLUDPBODZAUJT-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CC[N@@H+](C)[C@H](C[NH3+])C1CC1 126770317 573682698 /nfs/dbraw/zinc/68/26/98/573682698.db2.gz RSLUDPBODZAUJT-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP CC(C)=CC[N@H+](C)[C@H](C[NH3+])C1CC1 126770317 573682706 /nfs/dbraw/zinc/68/27/06/573682706.db2.gz RSLUDPBODZAUJT-LLVKDONJSA-N 2 1 182.311 1.622 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@@H+](C2CC(C)C2)C1 108010849 573682811 /nfs/dbraw/zinc/68/28/11/573682811.db2.gz KQCAVBABMUHJSZ-HSOILSAZSA-N 2 1 182.311 1.469 10 0 ADAEMP C[NH2+][C@@H]1CCC[N@H+](C2CC(C)C2)C1 108010849 573682817 /nfs/dbraw/zinc/68/28/17/573682817.db2.gz KQCAVBABMUHJSZ-HSOILSAZSA-N 2 1 182.311 1.469 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH3+])[C@H](C(C)(C)C)CC1 214951415 573686411 /nfs/dbraw/zinc/68/64/11/573686411.db2.gz GRXKOGWYISBDRL-GHMZBOCLSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)Cc1c[nH]c(C2CC([NH3+])C2)[nH+]1 259159500 573686460 /nfs/dbraw/zinc/68/64/60/573686460.db2.gz UETSMEYVCJKDSS-UHFFFAOYSA-N 2 1 193.294 1.813 10 0 ADAEMP C[N@@H+](CCC1CC1)[C@@H]1CCC[C@@H]([NH3+])C1 308669775 573686540 /nfs/dbraw/zinc/68/65/40/573686540.db2.gz UUDYOANHLHNSSA-VXGBXAGGSA-N 2 1 196.338 1.988 10 0 ADAEMP CO[C@@H](C)C[N@@H+](C)CCC[C@H](C)[NH3+] 393548504 573686733 /nfs/dbraw/zinc/68/67/33/573686733.db2.gz RJTIZNHVUOZMBP-UWVGGRQHSA-N 2 1 188.315 1.081 10 0 ADAEMP CC(=[NH2+])N1C[C@H]2CCC[N@@H+]2C[C@H]1C 86933462 573697005 /nfs/dbraw/zinc/69/70/05/573697005.db2.gz WPIRXHQHKCGPJM-PSASIEDQSA-N 2 1 181.283 1.152 10 0 ADAEMP C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1[NH3+] 83895130 573697054 /nfs/dbraw/zinc/69/70/54/573697054.db2.gz JOAJJDUNHBLQCF-ONGXEEELSA-N 2 1 182.311 1.456 10 0 ADAEMP CC1(C)[C@H](C[NH3+])CCC[N@H+]1C1CC1 259167594 573697309 /nfs/dbraw/zinc/69/73/09/573697309.db2.gz AMCSUCVVLDSWEC-VIFPVBQESA-N 2 1 182.311 1.598 10 0 ADAEMP CCC(=[NH2+])N1C[C@@H]2CCC[N@H+]2C[C@@H]1C 86933458 573697349 /nfs/dbraw/zinc/69/73/49/573697349.db2.gz YUNVTLFSYJFTJR-UWVGGRQHSA-N 2 1 195.310 1.542 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC1CC1 393551581 573697583 /nfs/dbraw/zinc/69/75/83/573697583.db2.gz GUCUTSHPVTXTSE-GXSJLCMTSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[C@@H]1CN(CCC2CC2)CCC[NH2+]1 83913303 573697600 /nfs/dbraw/zinc/69/76/00/573697600.db2.gz VVJRRHFTFAYTIK-GFCCVEGCSA-N 2 1 196.338 1.860 10 0 ADAEMP [NH2+]=C(C1CC1)N1CC[N@@H+]2CCC[C@H]2C1 86933474 573697626 /nfs/dbraw/zinc/69/76/26/573697626.db2.gz VTYXBXYSRXZOIZ-JTQLQIEISA-N 2 1 193.294 1.154 10 0 ADAEMP [NH2+]=C(C1CC1)N1CC[N@H+]2CCC[C@H]2C1 86933474 573697632 /nfs/dbraw/zinc/69/76/32/573697632.db2.gz VTYXBXYSRXZOIZ-JTQLQIEISA-N 2 1 193.294 1.154 10 0 ADAEMP [NH2+]=C(C1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 86933473 573697667 /nfs/dbraw/zinc/69/76/67/573697667.db2.gz VTYXBXYSRXZOIZ-SNVBAGLBSA-N 2 1 193.294 1.154 10 0 ADAEMP [NH2+]=C(C1CC1)N1CC[N@H+]2CCC[C@@H]2C1 86933473 573697673 /nfs/dbraw/zinc/69/76/73/573697673.db2.gz VTYXBXYSRXZOIZ-SNVBAGLBSA-N 2 1 193.294 1.154 10 0 ADAEMP CCC[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC 308425501 573698419 /nfs/dbraw/zinc/69/84/19/573698419.db2.gz QXUDXIGTECZJJI-GHMZBOCLSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H]1C[NH2+]CCN(CCC2CC2)C1 83912277 573697890 /nfs/dbraw/zinc/69/78/90/573697890.db2.gz NGNGJGMZPVZNOK-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP C1C[C@@H]2C[N@H+]3CCCC[C@@H]3C[NH2+][C@@H]2C1 237995067 573697959 /nfs/dbraw/zinc/69/79/59/573697959.db2.gz SLLSMPFMZAJMNS-IJLUTSLNSA-N 2 1 194.322 1.613 10 0 ADAEMP CC1(C)[C@@H](C[NH3+])CCC[N@H+]1C1CC1 259167588 573698010 /nfs/dbraw/zinc/69/80/10/573698010.db2.gz AMCSUCVVLDSWEC-SECBINFHSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@@H+](C)C[C@H]1[C@@H](C[NH3+])C1(F)F 715172295 573698131 /nfs/dbraw/zinc/69/81/31/573698131.db2.gz ANYHFXWSWGWDCO-SFYZADRCSA-N 2 1 192.253 1.167 10 0 ADAEMP CC(C)(C)[NH2+][C@]1(C[NH3+])CCSC1 257849011 573698233 /nfs/dbraw/zinc/69/82/33/573698233.db2.gz OJWXZDQFWUVAQD-VIFPVBQESA-N 2 1 188.340 1.209 10 0 ADAEMP C[C@@H]1CN(CCC2CC2)CCC[NH2+]1 83913264 573698355 /nfs/dbraw/zinc/69/83/55/573698355.db2.gz GQPTXABMKXPOMJ-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC1CC1 393551582 573698485 /nfs/dbraw/zinc/69/84/85/573698485.db2.gz GUCUTSHPVTXTSE-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CC1 83895159 573698507 /nfs/dbraw/zinc/69/85/07/573698507.db2.gz UANVJTAMOBNVNN-MWLCHTKSSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[N@@H+](C)C[C@@H]1[C@@H](C[NH3+])C1(F)F 715172292 573698537 /nfs/dbraw/zinc/69/85/37/573698537.db2.gz ANYHFXWSWGWDCO-HTQZYQBOSA-N 2 1 192.253 1.167 10 0 ADAEMP CC(C)(C)[NH2+][C@@]1(C[NH3+])CCSC1 257849010 573698561 /nfs/dbraw/zinc/69/85/61/573698561.db2.gz OJWXZDQFWUVAQD-SECBINFHSA-N 2 1 188.340 1.209 10 0 ADAEMP C[N@H+]1CCC[C@]1(CN)c1ccccc1 258884451 573698965 /nfs/dbraw/zinc/69/89/65/573698965.db2.gz XXTLPCRNWVFXFR-LBPRGKRZSA-N 2 1 190.290 1.566 10 0 ADAEMP CN1CCC[C@]1(C[NH3+])c1ccccc1 258884451 573698974 /nfs/dbraw/zinc/69/89/74/573698974.db2.gz XXTLPCRNWVFXFR-LBPRGKRZSA-N 2 1 190.290 1.566 10 0 ADAEMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CC1 83895161 573699049 /nfs/dbraw/zinc/69/90/49/573699049.db2.gz UANVJTAMOBNVNN-KOLCDFICSA-N 2 1 182.311 1.598 10 0 ADAEMP Cc1[nH+]c(C(C)C)[nH]c1CC1C[NH2+]C1 257848983 573699062 /nfs/dbraw/zinc/69/90/62/573699062.db2.gz OIKCCTMXGLUHEC-UHFFFAOYSA-N 2 1 193.294 1.603 10 0 ADAEMP c1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)co1 130771929 573706528 /nfs/dbraw/zinc/70/65/28/573706528.db2.gz WEAQROLQXMTYHP-LLVKDONJSA-N 2 1 194.278 1.511 10 0 ADAEMP C1C[NH+]([C@H]2CC[C@@H]2C[NH2+]C2CC2)C1 393553653 573706579 /nfs/dbraw/zinc/70/65/79/573706579.db2.gz YBLXPSXQBWNPNA-KOLCDFICSA-N 2 1 180.295 1.223 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@H+](C)Cc1cc[nH]c1 258889192 573706682 /nfs/dbraw/zinc/70/66/82/573706682.db2.gz QYNPNJVVUMKSMY-NSHDSACASA-N 2 1 195.310 1.430 10 0 ADAEMP CC(C)[C@H](C[NH3+])[N@@H+](C)Cc1cc[nH]c1 258889192 573706685 /nfs/dbraw/zinc/70/66/85/573706685.db2.gz QYNPNJVVUMKSMY-NSHDSACASA-N 2 1 195.310 1.430 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+]1CCC1=[NH+]CCN1 238477624 573706784 /nfs/dbraw/zinc/70/67/84/573706784.db2.gz UEYMRBMTLRJIFY-ZJUUUORDSA-N 2 1 195.310 1.109 10 0 ADAEMP C[C@@H](CCCC[NH3+])[NH2+]N1CCCCC1 308690639 573706832 /nfs/dbraw/zinc/70/68/32/573706832.db2.gz RIOLCGMDUIJKBZ-NSHDSACASA-N 2 1 199.342 1.494 10 0 ADAEMP C1CC[N@H+]2CCCC[C@H]2[NH2+]C1 238015477 573706970 /nfs/dbraw/zinc/70/69/70/573706970.db2.gz AZTASCFVYHNXGZ-VIFPVBQESA-N 2 1 154.257 1.182 10 0 ADAEMP C1CC[N@@H+]2CCCC[C@H]2[NH2+]C1 238015477 573706977 /nfs/dbraw/zinc/70/69/77/573706977.db2.gz AZTASCFVYHNXGZ-VIFPVBQESA-N 2 1 154.257 1.182 10 0 ADAEMP CC(C)[NH2+][C@@]1(C[NH3+])CS[C@H](C)C1 86936786 573706991 /nfs/dbraw/zinc/70/69/91/573706991.db2.gz FRRPZQOZTWOTFM-BDAKNGLRSA-N 2 1 188.340 1.207 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](CCC2([NH3+])CC2)C1 258100488 573707021 /nfs/dbraw/zinc/70/70/21/573707021.db2.gz RZHLYJNRLWXJES-NSHDSACASA-N 2 1 196.338 1.988 10 0 ADAEMP C1C[NH+]([C@@H]2CC[C@H]2C[NH2+]C2CC2)C1 393553650 573707041 /nfs/dbraw/zinc/70/70/41/573707041.db2.gz YBLXPSXQBWNPNA-GXSJLCMTSA-N 2 1 180.295 1.223 10 0 ADAEMP C[C@@H]1CC[C@H]1[NH2+]CC[NH2+]C(C)(C)C 393554872 573707099 /nfs/dbraw/zinc/70/70/99/573707099.db2.gz NZPXJVIXOXQTBU-NXEZZACHSA-N 2 1 184.327 1.763 10 0 ADAEMP [NH3+][C@@H](c1ccccc1F)C1C[NH2+]C1 259171284 573707120 /nfs/dbraw/zinc/70/71/20/573707120.db2.gz DXMCAAFPWCDNAB-SNVBAGLBSA-N 2 1 180.226 1.045 10 0 ADAEMP C[N@H+]1CCC[C@H]1c1ccc(C[NH3+])cc1 257850569 573712335 /nfs/dbraw/zinc/71/23/35/573712335.db2.gz OVVUDRRXNUGNDS-LBPRGKRZSA-N 2 1 190.290 1.912 10 0 ADAEMP CCc1[nH]c(C2CC[NH2+]CC2)c(C)[nH+]1 257854119 573711669 /nfs/dbraw/zinc/71/16/69/573711669.db2.gz PODFTNAWXFBOEC-UHFFFAOYSA-N 2 1 193.294 1.748 10 0 ADAEMP C[N@H+]1CCC(C)(C)[C@H](CC[NH3+])C1 259172793 573714156 /nfs/dbraw/zinc/71/41/56/573714156.db2.gz GWPXOVYCIVGSEG-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP [NH3+]CCc1ccccc1N1C=[NH+]CC1 108268020 573714259 /nfs/dbraw/zinc/71/42/59/573714259.db2.gz WMOJLSRKYLKZOH-UHFFFAOYSA-N 2 1 189.262 1.036 10 0 ADAEMP CC(C)[N@@H+](C)[C@H](C)CC(N)=[NH2+] 108279760 573714320 /nfs/dbraw/zinc/71/43/20/573714320.db2.gz YYVLZQOOCITSQX-SSDOTTSWSA-N 2 1 157.261 1.041 10 0 ADAEMP CC[C@](C)([NH3+])C[N@H+](C)CCCF 716772776 573715240 /nfs/dbraw/zinc/71/52/40/573715240.db2.gz LVNLCQRXZVUGML-VIFPVBQESA-N 2 1 176.279 1.405 10 0 ADAEMP CC[C@](C)([NH3+])C[N@@H+](C)CCCF 716772776 573715244 /nfs/dbraw/zinc/71/52/44/573715244.db2.gz LVNLCQRXZVUGML-VIFPVBQESA-N 2 1 176.279 1.405 10 0 ADAEMP CC(C)[C@]1([C@@H]2CCC[N@H+]2C)CCC[NH2+]1 258097746 573715247 /nfs/dbraw/zinc/71/52/47/573715247.db2.gz GWYSTXMKVWTWSU-RYUDHWBXSA-N 2 1 196.338 1.859 10 0 ADAEMP CCc1[nH]c(C[C@H]2CCC[NH2+]2)c(C)[nH+]1 257851896 573731436 /nfs/dbraw/zinc/73/14/36/573731436.db2.gz PDQQYEIFEXFJSE-SECBINFHSA-N 2 1 193.294 1.575 10 0 ADAEMP C[C@@H]1C[C@H]2[NH2+]CCC[C@@H]2C[N@H+]1C 238487813 573731494 /nfs/dbraw/zinc/73/14/94/573731494.db2.gz BJWISQLRXJQXNA-OPRDCNLKSA-N 2 1 168.284 1.079 10 0 ADAEMP CC[NH2+][C@H](C)C[N@H+](C)CCC1CC1 308426439 573731533 /nfs/dbraw/zinc/73/15/33/573731533.db2.gz XBCWEMZKTWQKAF-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[NH2+][C@H](C)C[N@@H+](C)CCC1CC1 308426439 573731536 /nfs/dbraw/zinc/73/15/36/573731536.db2.gz XBCWEMZKTWQKAF-SNVBAGLBSA-N 2 1 184.327 1.716 10 0 ADAEMP C[C@H](CC[NH3+])C[C@H]1CCC[N@@H+](C)C1 259173717 573731801 /nfs/dbraw/zinc/73/18/01/573731801.db2.gz PWCTUFHXFFSSFD-GHMZBOCLSA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@@]1([C@H]2CC[N@@H+](C)C2)CCCC[NH2+]1 258111817 573732643 /nfs/dbraw/zinc/73/26/43/573732643.db2.gz HUSXQKGLLAXNSY-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CC[C@H](F)C1 689909609 573732199 /nfs/dbraw/zinc/73/21/99/573732199.db2.gz PTWKLMMHXWIGOP-IUCAKERBSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@H](CC[NH3+])[N@H+]1CC[C@H](F)C1 689909608 573732223 /nfs/dbraw/zinc/73/22/23/573732223.db2.gz PTWKLMMHXWIGOP-DTWKUNHWSA-N 2 1 174.263 1.158 10 0 ADAEMP CC[C@@H](CC[NH3+])[N@H+]1CC[C@@H](F)C1 689909607 573732262 /nfs/dbraw/zinc/73/22/62/573732262.db2.gz PTWKLMMHXWIGOP-BDAKNGLRSA-N 2 1 174.263 1.158 10 0 ADAEMP C1CC[C@@H](CC[NH+]2CCC2)[NH2+]C1 108287578 573732341 /nfs/dbraw/zinc/73/23/41/573732341.db2.gz YJAVCFDVUSSTRY-JTQLQIEISA-N 2 1 168.284 1.224 10 0 ADAEMP CCc1[nH]c(C[C@@H]2CCC[NH2+]2)c(C)[nH+]1 257851897 573732448 /nfs/dbraw/zinc/73/24/48/573732448.db2.gz PDQQYEIFEXFJSE-VIFPVBQESA-N 2 1 193.294 1.575 10 0 ADAEMP C[C@@H]1CCC[N@H+]1[C@@H]1CC[C@H](C[NH3+])C1 108295057 573739704 /nfs/dbraw/zinc/73/97/04/573739704.db2.gz KADCLCAZKVIMEK-OUAUKWLOSA-N 2 1 182.311 1.598 10 0 ADAEMP C[NH2+]C[C@@H](C)[NH2+]CCC1CCCC1 162109800 573739057 /nfs/dbraw/zinc/73/90/57/573739057.db2.gz CTZSBJQIBQOMHX-SNVBAGLBSA-N 2 1 184.327 1.764 10 0 ADAEMP C[NH2+]CC[NH2+][C@@]1(C)CCCC[C@@H]1C 308696379 573739074 /nfs/dbraw/zinc/73/90/74/573739074.db2.gz MTDRLKQSFFBNDK-QWRGUYRKSA-N 2 1 184.327 1.764 10 0 ADAEMP C[NH2+]CC1(C[N@@H+](C)C2CCC2)CCC1 258898722 573739254 /nfs/dbraw/zinc/73/92/54/573739254.db2.gz DQPMGBKZCHFYON-UHFFFAOYSA-N 2 1 196.338 1.860 10 0 ADAEMP NC[C@H]([NH3+])c1cccc(C2CC2)c1 87012081 573739570 /nfs/dbraw/zinc/73/95/70/573739570.db2.gz XQAJKRNDWNDSMH-NSHDSACASA-N 2 1 176.263 1.523 10 0 ADAEMP CCC[N@@H+](C/C=C\C[NH3+])[C@H]1CCOC1 308698818 573739652 /nfs/dbraw/zinc/73/96/52/573739652.db2.gz UKQRIPFCAOGHOW-BYCRGOAPSA-N 2 1 198.310 1.002 10 0 ADAEMP C[C@@H](CC[NH3+])[N@H+]1C[C@H](C)CC[C@@H]1C 84045072 573744935 /nfs/dbraw/zinc/74/49/35/573744935.db2.gz JGMWPQGWEFDLMI-VWYCJHECSA-N 2 1 184.327 1.844 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H](C)C(N)=[NH2+] 84048255 573745993 /nfs/dbraw/zinc/74/59/93/573745993.db2.gz KMOHDKKQOGLXOJ-VGMNWLOBSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1[C@@H](C)C(N)=[NH2+] 84048255 573745996 /nfs/dbraw/zinc/74/59/96/573745996.db2.gz KMOHDKKQOGLXOJ-VGMNWLOBSA-N 2 1 183.299 1.431 10 0 ADAEMP C[C@H]([NH3+])C(F)(F)[C@H]1CCC[N@@H+](C)C1 257863067 573746402 /nfs/dbraw/zinc/74/64/02/573746402.db2.gz RIMKUWMKKACZFG-YUMQZZPRSA-N 2 1 192.253 1.311 10 0 ADAEMP C[C@H]1CC[C@@H](C)C[N@@H+]1CCC(N)=[NH2+] 84048230 573746425 /nfs/dbraw/zinc/74/64/25/573746425.db2.gz BBDVZQQURANWBE-BDAKNGLRSA-N 2 1 183.299 1.433 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CN(C2CCCC2)C1 87039834 573747822 /nfs/dbraw/zinc/74/78/22/573747822.db2.gz DQSNNGSMWKEATA-VHSXEESVSA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CC[C@H](C)[N@@H+](CCC(N)=[NH2+])C1 84048236 573747874 /nfs/dbraw/zinc/74/78/74/573747874.db2.gz BBDVZQQURANWBE-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+]1C[C@H](C)CC[C@@H]1C 84048300 573748038 /nfs/dbraw/zinc/74/80/38/573748038.db2.gz IGNUYNAYYVHSOA-KXUCPTDWSA-N 2 1 197.326 1.821 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+]1C[C@H](C)CC[C@@H]1C 84048300 573748044 /nfs/dbraw/zinc/74/80/44/573748044.db2.gz IGNUYNAYYVHSOA-KXUCPTDWSA-N 2 1 197.326 1.821 10 0 ADAEMP C[NH2+]C1CCC([N@H+]2CC[C@@H](C)C2)CC1 108306745 573748059 /nfs/dbraw/zinc/74/80/59/573748059.db2.gz JEGAYPVDWYZDFH-VOMCLLRMSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H]1CC[N@H+]([C@@H]2CCCNC2)C1 108307358 573748098 /nfs/dbraw/zinc/74/80/98/573748098.db2.gz YXCGZZUWKXGKKG-NWDGAFQWSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]1CC[C@H](C)[N@H+](C2CC[NH2+]CC2)C1 84048181 573748194 /nfs/dbraw/zinc/74/81/94/573748194.db2.gz MAUGBTQKVRSKPM-QWRGUYRKSA-N 2 1 196.338 1.859 10 0 ADAEMP CC(C)[C@H](C)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87040060 573748210 /nfs/dbraw/zinc/74/82/10/573748210.db2.gz JIMRALQTINZGHZ-VWYCJHECSA-N 2 1 184.327 1.700 10 0 ADAEMP CC1(C)C[NH+](CC[C@@H]2CCCC[NH2+]2)C1 108307435 573750823 /nfs/dbraw/zinc/75/08/23/573750823.db2.gz BCJOIDINFLEKIR-NSHDSACASA-N 2 1 196.338 1.860 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CN(CC2CCC2)C1 87041969 573750846 /nfs/dbraw/zinc/75/08/46/573750846.db2.gz OIZCJOHHEXVTNI-GXSJLCMTSA-N 2 1 182.311 1.456 10 0 ADAEMP C[C@H]1C[C@@H]([NH3+])CN(CC2CCCC2)C1 87040133 573750890 /nfs/dbraw/zinc/75/08/90/573750890.db2.gz SFYARFIUEMXBQJ-CMPLNLGQSA-N 2 1 196.338 1.846 10 0 ADAEMP C[NH2+]CCCC[N@@H+](C)Cc1ccc[nH]1 258907909 573750943 /nfs/dbraw/zinc/75/09/43/573750943.db2.gz NCANABVOCUJFFB-UHFFFAOYSA-N 2 1 195.310 1.446 10 0 ADAEMP CCC(CC)[N@H+]1C[C@@H](C)C[C@H](N)C1 87039722 573750952 /nfs/dbraw/zinc/75/09/52/573750952.db2.gz GYBCWESIHVVSEG-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C1CC1)[N@@H+]1C[C@@H](N)C[C@@H](C)C1 87040020 573751138 /nfs/dbraw/zinc/75/11/38/573751138.db2.gz IHTGPZNMIRYNDM-ADEWGFFLSA-N 2 1 196.338 1.844 10 0 ADAEMP C[NH2+]C1(C[NH2+][C@@H]2CC2(C)C)CCCC1 308704809 573751141 /nfs/dbraw/zinc/75/11/41/573751141.db2.gz WIBRICBTOKEBIK-SNVBAGLBSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H](C1CC1)N1C[C@H](C)C[C@@H]([NH3+])C1 87039751 573751381 /nfs/dbraw/zinc/75/13/81/573751381.db2.gz YFKZFTPHSMHKDK-WCABBAIRSA-N 2 1 182.311 1.454 10 0 ADAEMP CC[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C(C)C 108331769 573754357 /nfs/dbraw/zinc/75/43/57/573754357.db2.gz ZPEBWNBLIBDJLX-RKDXNWHRSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[C@@H]1C[C@@H]([NH3+])C[N@H+]1C(C)C 108331769 573754360 /nfs/dbraw/zinc/75/43/60/573754360.db2.gz ZPEBWNBLIBDJLX-RKDXNWHRSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C 108331761 573754623 /nfs/dbraw/zinc/75/46/23/573754623.db2.gz VNQVWIZFWGHHCB-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C 108331761 573754628 /nfs/dbraw/zinc/75/46/28/573754628.db2.gz VNQVWIZFWGHHCB-RKDXNWHRSA-N 2 1 156.273 1.064 10 0 ADAEMP Cc1cc2c(CC[NH3+])[nH+]ccc2[nH]1 238499590 573754823 /nfs/dbraw/zinc/75/48/23/573754823.db2.gz OEVDHSRWJBPTHU-UHFFFAOYSA-N 2 1 175.235 1.373 10 0 ADAEMP C[NH2+]CC[C@@](C)(F)[C@@H]1CC[N@@H+](C)C1 257868157 573755899 /nfs/dbraw/zinc/75/58/99/573755899.db2.gz SMVKONUDLOEXOG-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP CC(C)C[N@@H+](CCC[NH3+])CC1CC1 43417433 573755902 /nfs/dbraw/zinc/75/59/02/573755902.db2.gz JNAHVASKEARPOX-UHFFFAOYSA-N 2 1 184.327 1.703 10 0 ADAEMP CC(C)C[C@H]1C[C@H]([NH3+])C[N@@H+]1C 108331759 573755393 /nfs/dbraw/zinc/75/53/93/573755393.db2.gz VNQVWIZFWGHHCB-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C[C@H]1C[C@H]([NH3+])C[N@H+]1C 108331759 573755397 /nfs/dbraw/zinc/75/53/97/573755397.db2.gz VNQVWIZFWGHHCB-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP Fc1ccn2c(C3C[NH2+]C3)[nH+]cc2c1 257868221 573756179 /nfs/dbraw/zinc/75/61/79/573756179.db2.gz SNUDJCKTPDAKPK-UHFFFAOYSA-N 2 1 191.209 1.160 10 0 ADAEMP CC(C)C[C@H]1C[C@@H]([NH3+])C[N@@H+]1C 108331763 573756187 /nfs/dbraw/zinc/75/61/87/573756187.db2.gz VNQVWIZFWGHHCB-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CC(C)C[C@H]1C[C@@H]([NH3+])C[N@H+]1C 108331763 573756192 /nfs/dbraw/zinc/75/61/92/573756192.db2.gz VNQVWIZFWGHHCB-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP C[NH2+]CC[C@](C)(F)[C@H]1CC[N@@H+](C)C1 257868158 573756790 /nfs/dbraw/zinc/75/67/90/573756790.db2.gz SMVKONUDLOEXOG-UWVGGRQHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[NH2+]CNCCC(C)(C)C 258911925 573756870 /nfs/dbraw/zinc/75/68/70/573756870.db2.gz PJVXLIDSDJXGCJ-UHFFFAOYSA-N 2 1 144.262 1.189 10 0 ADAEMP CNC[NH2+]CCc1ccccc1OC 258913369 573757250 /nfs/dbraw/zinc/75/72/50/573757250.db2.gz PMBILZJLACZYGG-UHFFFAOYSA-N 2 1 194.278 1.004 10 0 ADAEMP C[NH2+]CCC(F)(F)[C@@H]1CC[N@@H+](C)C1 257866472 573757506 /nfs/dbraw/zinc/75/75/06/573757506.db2.gz SBDUZLXTXMXGJI-MRVPVSSYSA-N 2 1 192.253 1.183 10 0 ADAEMP CC[N@H+]1CC[C@H](C[C@H]2[NH2+]CCCO2)C1 257870338 573768098 /nfs/dbraw/zinc/76/80/98/573768098.db2.gz ALKQNYGQBCLMNL-MNOVXSKESA-N 2 1 198.310 1.054 10 0 ADAEMP C[N@@H+]1CCC=C(C[NH2+]C2CCC2)C1 258124791 573768248 /nfs/dbraw/zinc/76/82/48/573768248.db2.gz PJOUTHTYCHFLKW-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP C[N@H+]1CCC=C(C[NH2+]C2CCC2)C1 258124791 573768253 /nfs/dbraw/zinc/76/82/53/573768253.db2.gz PJOUTHTYCHFLKW-UHFFFAOYSA-N 2 1 180.295 1.390 10 0 ADAEMP C[C@H](CC[NH3+])n1c[nH+]c2c1CCCC2 76093947 573768401 /nfs/dbraw/zinc/76/84/01/573768401.db2.gz PQIVHTHFLRIMLA-SECBINFHSA-N 2 1 193.294 1.672 10 0 ADAEMP C[C@H](C[NH3+])n1c[nH+]c2c1CCCC2 76093921 573768524 /nfs/dbraw/zinc/76/85/24/573768524.db2.gz OHAWNLUFSKDUAY-MRVPVSSYSA-N 2 1 179.267 1.282 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[C@H]2[NH2+]CCCO2)C1 257870340 573769628 /nfs/dbraw/zinc/76/96/28/573769628.db2.gz ALKQNYGQBCLMNL-QWRGUYRKSA-N 2 1 198.310 1.054 10 0 ADAEMP C[C@H]([NH3+])CCn1c[nH+]c2c1CCCC2 76093938 573769899 /nfs/dbraw/zinc/76/98/99/573769899.db2.gz KJYYSGAIUPDLOH-VIFPVBQESA-N 2 1 193.294 1.499 10 0 ADAEMP CC(C)(C[NH3+])[N@@H+]1CC[C@@H](C(F)F)C1 687971901 573774007 /nfs/dbraw/zinc/77/40/07/573774007.db2.gz DWTOQMOFKHTSCZ-SSDOTTSWSA-N 2 1 192.253 1.311 10 0 ADAEMP C[NH2+]C[C@]1([C@H]2CCC[N@@H+](C)C2)C[C@@H]1C 258931950 573773287 /nfs/dbraw/zinc/77/32/87/573773287.db2.gz AXLJMOLEJOVNKD-SDDRHHMPSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[N@H+]1CC[C@@H](C[NH2+]C)C(C)(C)C1 259180688 573773306 /nfs/dbraw/zinc/77/33/06/573773306.db2.gz HLFDHODZDFRCMT-JTQLQIEISA-N 2 1 184.327 1.574 10 0 ADAEMP CC[N@@H+](CCC[C@H](C)C[NH3+])C1CC1 131175047 573773395 /nfs/dbraw/zinc/77/33/95/573773395.db2.gz BPXKLZDMVRVCEJ-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[C@@H]1CCC[N@@H+]1CC(N)=[NH2+] 84126274 573773478 /nfs/dbraw/zinc/77/34/78/573773478.db2.gz XDMPJPQXZILFQC-QMMMGPOBSA-N 2 1 169.272 1.043 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1CC(N)=[NH2+] 84126274 573773484 /nfs/dbraw/zinc/77/34/84/573773484.db2.gz XDMPJPQXZILFQC-QMMMGPOBSA-N 2 1 169.272 1.043 10 0 ADAEMP CC(C)(C[NH3+])[N@H+]1CC[C@@H](C(F)F)C1 687971901 573774010 /nfs/dbraw/zinc/77/40/10/573774010.db2.gz DWTOQMOFKHTSCZ-SSDOTTSWSA-N 2 1 192.253 1.311 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 258934755 573773898 /nfs/dbraw/zinc/77/38/98/573773898.db2.gz JPWUZTVOFGFJRE-MNOVXSKESA-N 2 1 193.294 1.374 10 0 ADAEMP C[NH2+]C[C@]1([C@@H]2CCC[N@@H+](C)C2)C[C@H]1C 258931946 573773974 /nfs/dbraw/zinc/77/39/74/573773974.db2.gz AXLJMOLEJOVNKD-IJLUTSLNSA-N 2 1 196.338 1.574 10 0 ADAEMP Cc1[nH]c(C[C@@H]2CCCC[NH2+]2)c(C)[nH+]1 257874358 573774994 /nfs/dbraw/zinc/77/49/94/573774994.db2.gz UEZWQXMZVVIRSJ-JTQLQIEISA-N 2 1 193.294 1.711 10 0 ADAEMP C[C@H](C[NH3+])CCC[N@@H+](C)C1CC1 131175294 573775059 /nfs/dbraw/zinc/77/50/59/573775059.db2.gz NAAJAOQUPRKTBK-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP Cc1[nH]c(C[C@H]2CCCC[NH2+]2)c(C)[nH+]1 257874360 573775394 /nfs/dbraw/zinc/77/53/94/573775394.db2.gz UEZWQXMZVVIRSJ-SNVBAGLBSA-N 2 1 193.294 1.711 10 0 ADAEMP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 84126246 573775486 /nfs/dbraw/zinc/77/54/86/573775486.db2.gz MRFROEZQXIVORJ-IUCAKERBSA-N 2 1 183.299 1.431 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)C(N)=[NH2+] 84126246 573775493 /nfs/dbraw/zinc/77/54/93/573775493.db2.gz MRFROEZQXIVORJ-IUCAKERBSA-N 2 1 183.299 1.431 10 0 ADAEMP CC(C)[C@H]1CCC[N@@H+]1[C@@H](C)C(N)=[NH2+] 84126247 573775533 /nfs/dbraw/zinc/77/55/33/573775533.db2.gz MRFROEZQXIVORJ-DTWKUNHWSA-N 2 1 183.299 1.431 10 0 ADAEMP CC(C)[C@H]1CCC[N@H+]1[C@@H](C)C(N)=[NH2+] 84126247 573775539 /nfs/dbraw/zinc/77/55/39/573775539.db2.gz MRFROEZQXIVORJ-DTWKUNHWSA-N 2 1 183.299 1.431 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1[C@@H](C)[C@@H](C)N 84125660 573775576 /nfs/dbraw/zinc/77/55/76/573775576.db2.gz SYMOSWKCNJRCJE-VWYCJHECSA-N 2 1 184.327 1.843 10 0 ADAEMP C[NH2+][C@@H](C)C[NH2+][C@H]1C[C@@]1(C)C(C)C 397341393 573782001 /nfs/dbraw/zinc/78/20/01/573782001.db2.gz CSXPXVUCFMZZKJ-DCAQKATOSA-N 2 1 184.327 1.619 10 0 ADAEMP [NH3+]CC1([C@@H]([NH3+])c2cccs2)CC1 259186519 573782254 /nfs/dbraw/zinc/78/22/54/573782254.db2.gz CWGFTYVGTRIAEK-QMMMGPOBSA-N 2 1 182.292 1.487 10 0 ADAEMP C[C@H]1CCC[N@@H+]1CCC[C@@H](C)C[NH3+] 131194655 573784116 /nfs/dbraw/zinc/78/41/16/573784116.db2.gz MSCPUDFDGIFBNJ-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@@H+](CC1(CC[NH3+])CC1)C1CCC1 127196489 573784402 /nfs/dbraw/zinc/78/44/02/573784402.db2.gz VYZQCXOZLOSROH-UHFFFAOYSA-N 2 1 182.311 1.600 10 0 ADAEMP CCCC[N@@H+]1CCC(C)(C)[C@@H]([NH3+])C1 258947007 573784440 /nfs/dbraw/zinc/78/44/40/573784440.db2.gz YPIOVRYFKJDWFU-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP CCCC[N@H+]1CCC(C)(C)[C@@H]([NH3+])C1 258947007 573784444 /nfs/dbraw/zinc/78/44/44/573784444.db2.gz YPIOVRYFKJDWFU-JTQLQIEISA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@@H](C[NH3+])CCC[N@H+]1CCC[C@H]1C 131194408 573787144 /nfs/dbraw/zinc/78/71/44/573787144.db2.gz MSCPUDFDGIFBNJ-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP C[C@H](C[NH3+])CCC[N@@H+](C)CC1CC1 131195286 573787193 /nfs/dbraw/zinc/78/71/93/573787193.db2.gz ZIVQVMLWLFYRSG-JTQLQIEISA-N 2 1 184.327 1.703 10 0 ADAEMP CC[C@H]1[C@H](C[NH3+])CCC[N@H+]1C(C)C 107231273 573787493 /nfs/dbraw/zinc/78/74/93/573787493.db2.gz AUJPXYSSRHOLHS-QWRGUYRKSA-N 2 1 184.327 1.844 10 0 ADAEMP C[NH2+]C[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1C 259185638 573787610 /nfs/dbraw/zinc/78/76/10/573787610.db2.gz HTANQSQEJYNEGW-UWVGGRQHSA-N 2 1 184.327 1.715 10 0 ADAEMP C[N@H+]1CC[C@@H](C[NH3+])CC1(C)C 259187409 573787702 /nfs/dbraw/zinc/78/77/02/573787702.db2.gz BKBUJTBYBNAJGO-MRVPVSSYSA-N 2 1 156.273 1.066 10 0 ADAEMP Cc1[nH]cc(C[C@H]2CCC[NH2+]C2)[nH+]1 238517798 573787745 /nfs/dbraw/zinc/78/77/45/573787745.db2.gz BFSQGNFAHYHLIL-SECBINFHSA-N 2 1 179.267 1.260 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)C1CCC1)C(C)C 127295563 573794224 /nfs/dbraw/zinc/79/42/24/573794224.db2.gz UYEVJNVETVOWBK-NSHDSACASA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)C1CCC1)C(C)C 127295563 573794232 /nfs/dbraw/zinc/79/42/32/573794232.db2.gz UYEVJNVETVOWBK-NSHDSACASA-N 2 1 184.327 1.715 10 0 ADAEMP C1CC[N@@H+]2[C@H](C1)CC[NH2+]C[C@H]2C1CC1 238104300 573794258 /nfs/dbraw/zinc/79/42/58/573794258.db2.gz FUKCUZNARNCQOY-NEPJUHHUSA-N 2 1 194.322 1.613 10 0 ADAEMP C1CC[N@@H+]2[C@@H](C1)CC[NH2+]C[C@H]2C1CC1 238103973 573794518 /nfs/dbraw/zinc/79/45/18/573794518.db2.gz FUKCUZNARNCQOY-RYUDHWBXSA-N 2 1 194.322 1.613 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCC[C@@H]1[NH3+])C1CCC1 127302199 573794708 /nfs/dbraw/zinc/79/47/08/573794708.db2.gz SHCDEYMVHOFHJR-JQWIXIFHSA-N 2 1 196.338 1.988 10 0 ADAEMP CCC1CC([NH2+]C[C@H]2CC[N@@H+](C)C2)C1 308731308 573794733 /nfs/dbraw/zinc/79/47/33/573794733.db2.gz JOWIWQMXAKIASH-MOENNCHZSA-N 2 1 196.338 1.716 10 0 ADAEMP C[C@H]([NH3+])C[C@@H](C)[N@@H+](C)C1CCC1 127293071 573795252 /nfs/dbraw/zinc/79/52/52/573795252.db2.gz ROSNURLRTBZAKE-DTWKUNHWSA-N 2 1 170.300 1.597 10 0 ADAEMP CC[NH2+][C@H](C)CC[N@@H+](C)C1CCC1 127296013 573795288 /nfs/dbraw/zinc/79/52/88/573795288.db2.gz HAUMSEQEMVJFCT-SNVBAGLBSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@H](C(N)=[NH2+])C1 87157563 573804508 /nfs/dbraw/zinc/80/45/08/573804508.db2.gz SISCCWXMVNWYPO-VIFPVBQESA-N 2 1 197.326 1.823 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[NH2+]C2CC2)C1 259191935 573804536 /nfs/dbraw/zinc/80/45/36/573804536.db2.gz RGPYPOOJZSBSTQ-SECBINFHSA-N 2 1 168.284 1.080 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH2+]C2CC2)C1 259191938 573803841 /nfs/dbraw/zinc/80/38/41/573803841.db2.gz RGPYPOOJZSBSTQ-VIFPVBQESA-N 2 1 168.284 1.080 10 0 ADAEMP CC(C)(C)CC(C)(C)[NH2+]CC[NH3+] 43437362 573803876 /nfs/dbraw/zinc/80/38/76/573803876.db2.gz WIACTWKMYBDLHP-UHFFFAOYSA-N 2 1 172.316 1.750 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]1 258958822 573804302 /nfs/dbraw/zinc/80/43/02/573804302.db2.gz KUZUIFLJULJXNX-MNOVXSKESA-N 2 1 193.294 1.374 10 0 ADAEMP Cc1ccsc1C[NH2+]C(C)(C)C[NH3+] 258959597 573805336 /nfs/dbraw/zinc/80/53/36/573805336.db2.gz XUNRQEJFOGQFGK-UHFFFAOYSA-N 2 1 198.335 1.883 10 0 ADAEMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]1 258958820 573804548 /nfs/dbraw/zinc/80/45/48/573804548.db2.gz KUZUIFLJULJXNX-GHMZBOCLSA-N 2 1 193.294 1.374 10 0 ADAEMP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]1 258958823 573804567 /nfs/dbraw/zinc/80/45/67/573804567.db2.gz KUZUIFLJULJXNX-QWRGUYRKSA-N 2 1 193.294 1.374 10 0 ADAEMP Cc1c[nH+]c(N)c2ccc(C[NH3+])cc12 258135408 573805104 /nfs/dbraw/zinc/80/51/04/573805104.db2.gz KOVBCKYTRZIBHY-UHFFFAOYSA-N 2 1 187.246 1.584 10 0 ADAEMP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]1 258958824 573805130 /nfs/dbraw/zinc/80/51/30/573805130.db2.gz KUZUIFLJULJXNX-WDEREUQCSA-N 2 1 193.294 1.374 10 0 ADAEMP CC[C@@H]([NH3+])C[N@H+](CCOC)C(C)C 131268412 573807019 /nfs/dbraw/zinc/80/70/19/573807019.db2.gz VACBBXBUMBKHEP-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[C@@H]([NH3+])C[N@@H+](CCOC)C(C)C 131268412 573807023 /nfs/dbraw/zinc/80/70/23/573807023.db2.gz VACBBXBUMBKHEP-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2C)C1 252967234 573807132 /nfs/dbraw/zinc/80/71/32/573807132.db2.gz UEEIZMZIHWKYJS-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[NH2+][C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2C)C1 252967234 573807136 /nfs/dbraw/zinc/80/71/36/573807136.db2.gz UEEIZMZIHWKYJS-QJPTWQEYSA-N 2 1 196.338 1.716 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H](CC2([NH3+])CC2)C1 257879474 573807496 /nfs/dbraw/zinc/80/74/96/573807496.db2.gz BFYBOGAYUYTTKL-LLVKDONJSA-N 2 1 196.338 1.988 10 0 ADAEMP COCC[N@@H+](CC[C@@H](C)[NH3+])C(C)C 131264793 573807510 /nfs/dbraw/zinc/80/75/10/573807510.db2.gz NJGFYIICICIIFC-SNVBAGLBSA-N 2 1 188.315 1.081 10 0 ADAEMP Cc1[nH]c(C)c(C[C@@H]2CCC[NH2+]C2)[nH+]1 257879331 573807533 /nfs/dbraw/zinc/80/75/33/573807533.db2.gz VDHXNEBPCCTSKU-JTQLQIEISA-N 2 1 193.294 1.569 10 0 ADAEMP CC[N@H+]1CCCC[C@H]1/C=C\C[NH3+] 258136472 573808346 /nfs/dbraw/zinc/80/83/46/573808346.db2.gz JKLKTKMAZGWRNS-BXKUYDPTSA-N 2 1 168.284 1.376 10 0 ADAEMP CC[C@H]1CCC[N@H+]([C@@H](C)CC[NH3+])C1 41042628 573807919 /nfs/dbraw/zinc/80/79/19/573807919.db2.gz XNSYWHBXQRZDAW-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@@H]1CCC[N@H+]([C@@H](C)CC[NH3+])C1 41042627 573808123 /nfs/dbraw/zinc/80/81/23/573808123.db2.gz XNSYWHBXQRZDAW-WDEREUQCSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[C@H]1CCC[N@@H+]1[C@H](CC)CC(N)=[NH2+] 202403376 573808210 /nfs/dbraw/zinc/80/82/10/573808210.db2.gz YDFCVWXVKZYOPF-VHSXEESVSA-N 2 1 197.326 1.965 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@H](C)C(N)=[NH2+] 202404196 573810931 /nfs/dbraw/zinc/81/09/31/573810931.db2.gz LWKWVICCEXLOAD-IUCAKERBSA-N 2 1 183.299 1.433 10 0 ADAEMP C[N@H+]1CC[C@H](CC[NH3+])CC1(C)C 259196925 573810379 /nfs/dbraw/zinc/81/03/79/573810379.db2.gz BVQUICLUSZTTJP-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[NH3+])CC1(C)C 259196923 573810413 /nfs/dbraw/zinc/81/04/13/573810413.db2.gz BVQUICLUSZTTJP-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CN1CCCC[C@H]1c1cnc(CN)o1 107236540 573810417 /nfs/dbraw/zinc/81/04/17/573810417.db2.gz GZHGMIDEBPSIPT-QMMMGPOBSA-N 2 1 195.266 1.290 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CC1([NH3+])CCC1 258138026 573810609 /nfs/dbraw/zinc/81/06/09/573810609.db2.gz VEGZOFGBNIDZPS-SECBINFHSA-N 2 1 168.284 1.352 10 0 ADAEMP CC[N@H+]1CCC[C@H](/C=C\CC[NH2+]C)C1 258138665 573810683 /nfs/dbraw/zinc/81/06/83/573810683.db2.gz JNSFRWMVKQGOIR-KMSCOEIWSA-N 2 1 196.338 1.884 10 0 ADAEMP COCC[N@H+](CC(C)(C)[NH3+])C(C)C 131297014 573810883 /nfs/dbraw/zinc/81/08/83/573810883.db2.gz QJUGIGZIKVBHCM-UHFFFAOYSA-N 2 1 188.315 1.081 10 0 ADAEMP CCn1c(C[NH+]2CCCC2)c[nH+]c1N 258139443 573814447 /nfs/dbraw/zinc/81/44/47/573814447.db2.gz KTDXZIQJJYJOPV-UHFFFAOYSA-N 2 1 194.282 1.081 10 0 ADAEMP C[C@H]1CC[N@H+](CCC[C@@H](C)C[NH3+])C1 131208055 573823892 /nfs/dbraw/zinc/82/38/92/573823892.db2.gz FRHAZUJQTOVNKD-MNOVXSKESA-N 2 1 184.327 1.703 10 0 ADAEMP [NH3+][C@@H](CC[N@H+]1CCC2(CC2)C1)C1CC1 400042762 573823387 /nfs/dbraw/zinc/82/33/87/573823387.db2.gz OGGVWUUMSWWDEW-NSHDSACASA-N 2 1 194.322 1.600 10 0 ADAEMP CC[NH2+][C@@H](C[N@H+](C)C1CCC1)C1CC1 127334635 573823602 /nfs/dbraw/zinc/82/36/02/573823602.db2.gz OQGWUUSIYVDNGP-LBPRGKRZSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[NH2+][C@@H](C[N@@H+](C)C1CCC1)C1CC1 127334635 573823607 /nfs/dbraw/zinc/82/36/07/573823607.db2.gz OQGWUUSIYVDNGP-LBPRGKRZSA-N 2 1 196.338 1.859 10 0 ADAEMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC1CC1 43498681 573823613 /nfs/dbraw/zinc/82/36/13/573823613.db2.gz CPFKSSZAGBDTEK-LBPRGKRZSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)C[N@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 43515583 573826109 /nfs/dbraw/zinc/82/61/09/573826109.db2.gz KCMGRGHXQASXDM-VIFPVBQESA-N 2 1 185.315 1.677 10 0 ADAEMP CC(C)C[N@@H+](C(C)C)[C@@H](C)C(N)=[NH2+] 43515583 573826113 /nfs/dbraw/zinc/82/61/13/573826113.db2.gz KCMGRGHXQASXDM-VIFPVBQESA-N 2 1 185.315 1.677 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C1CCC(C(C)C)CC1 308444449 573826123 /nfs/dbraw/zinc/82/61/23/573826123.db2.gz AAXJINWRPYGTAO-HTAVTVPLSA-N 2 1 198.354 1.996 10 0 ADAEMP C[C@@H](CNc1ccc[nH+]c1N)[NH+](C)C 122779927 573826162 /nfs/dbraw/zinc/82/61/62/573826162.db2.gz HTZKROXUOAVKDV-QMMMGPOBSA-N 2 1 194.282 1.026 10 0 ADAEMP C[C@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] 41053889 573826257 /nfs/dbraw/zinc/82/62/57/573826257.db2.gz HTCCDPCGUJUZPT-YIZRAAEISA-N 2 1 156.273 1.206 10 0 ADAEMP CCCCC[N@H+](CC[NH3+])C1CC1 41057033 573826399 /nfs/dbraw/zinc/82/63/99/573826399.db2.gz MDTDXGHPQBKPRO-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCCCC[N@@H+](CC[NH3+])C1CC1 41057033 573826404 /nfs/dbraw/zinc/82/64/04/573826404.db2.gz MDTDXGHPQBKPRO-UHFFFAOYSA-N 2 1 170.300 1.600 10 0 ADAEMP CCC[C@H]1CC[N@H+]([C@@H](C)C2C[NH2+]C2)C1 686255647 573830327 /nfs/dbraw/zinc/83/03/27/573830327.db2.gz PAUYYKBULDEYBZ-QWRGUYRKSA-N 2 1 196.338 1.716 10 0 ADAEMP C/C=C/C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 122850628 573830436 /nfs/dbraw/zinc/83/04/36/573830436.db2.gz OOKPXCPODMRLHN-YYMQPOIQSA-N 2 1 182.311 1.622 10 0 ADAEMP CC[C@H](C)[N@H+](CC)[C@@H](C)C(N)=[NH2+] 43528513 573831617 /nfs/dbraw/zinc/83/16/17/573831617.db2.gz MRSSSYMFYNOBHV-YUMQZZPRSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)[C@@H](C)C(N)=[NH2+] 43528513 573831623 /nfs/dbraw/zinc/83/16/23/573831623.db2.gz MRSSSYMFYNOBHV-YUMQZZPRSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C[NH3+])n1cc[nH+]c1C(C)C 43541007 573831706 /nfs/dbraw/zinc/83/17/06/573831706.db2.gz RJIWJVXRCKKLGE-VIFPVBQESA-N 2 1 181.283 1.916 10 0 ADAEMP C[NH2+][C@H](C[NH3+])C1CCCCCC1 84328790 573831798 /nfs/dbraw/zinc/83/17/98/573831798.db2.gz STQZFJOWOMCQIK-SNVBAGLBSA-N 2 1 170.300 1.504 10 0 ADAEMP CCC[C@@H]1CC[N@H+]([C@@H](C)C2C[NH2+]C2)C1 686255649 573831858 /nfs/dbraw/zinc/83/18/58/573831858.db2.gz PAUYYKBULDEYBZ-WDEREUQCSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H](C)[N@H+](CC)[C@@H](C)C(N)=[NH2+] 43528512 573831901 /nfs/dbraw/zinc/83/19/01/573831901.db2.gz MRSSSYMFYNOBHV-SFYZADRCSA-N 2 1 171.288 1.431 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)[C@@H](C)C(N)=[NH2+] 43528512 573831906 /nfs/dbraw/zinc/83/19/06/573831906.db2.gz MRSSSYMFYNOBHV-SFYZADRCSA-N 2 1 171.288 1.431 10 0 ADAEMP CCC[C@H]1CC[N@H+]([C@H](C)C2C[NH2+]C2)C1 686255645 573832160 /nfs/dbraw/zinc/83/21/60/573832160.db2.gz PAUYYKBULDEYBZ-MNOVXSKESA-N 2 1 196.338 1.716 10 0 ADAEMP C[NH2+]CC(C)(C)[NH2+]CCc1cc[nH]c1 258962099 573832204 /nfs/dbraw/zinc/83/22/04/573832204.db2.gz XVEYKBAWDMWOAB-UHFFFAOYSA-N 2 1 195.310 1.145 10 0 ADAEMP Cc1[nH]c(N)[nH+]c1C1CC[NH+](C)CC1 259205935 573835477 /nfs/dbraw/zinc/83/54/77/573835477.db2.gz QOMBRSJZTGASEK-UHFFFAOYSA-N 2 1 194.282 1.110 10 0 ADAEMP CC(C)[C@@H]1CC[N@H+]([C@H](C)C2C[NH2+]C2)C1 686255475 573835516 /nfs/dbraw/zinc/83/55/16/573835516.db2.gz LBSKDTWJFIKWEH-GHMZBOCLSA-N 2 1 196.338 1.572 10 0 ADAEMP CC[C@H](C[NH3+])C[C@H]1CC[N@@H+](C)C1 259573483 573835651 /nfs/dbraw/zinc/83/56/51/573835651.db2.gz YSEQBJLJQBWHJV-VHSXEESVSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C[NH3+])C[C@@H]1CC[N@@H+](C)C1 259573480 573835820 /nfs/dbraw/zinc/83/58/20/573835820.db2.gz YSEQBJLJQBWHJV-UWVGGRQHSA-N 2 1 170.300 1.313 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@H+](C)[C@@H](C)C(C)C 43541024 573835828 /nfs/dbraw/zinc/83/58/28/573835828.db2.gz GBVLBNNEBIJWCT-DTWKUNHWSA-N 2 1 185.315 1.677 10 0 ADAEMP CC[C@H](C(N)=[NH2+])[N@@H+](C)[C@@H](C)C(C)C 43541024 573835835 /nfs/dbraw/zinc/83/58/35/573835835.db2.gz GBVLBNNEBIJWCT-DTWKUNHWSA-N 2 1 185.315 1.677 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]2C[C@@H]2C[NH2+]C2CC2)C1 308448946 573835875 /nfs/dbraw/zinc/83/58/75/573835875.db2.gz CBSXYPUVHZCQAO-HOSYDEDBSA-N 2 1 194.322 1.326 10 0 ADAEMP CC(C)CC[N@H+]1[C@H]2CC[C@@H]1C[C@H]([NH3+])C2 238155511 573837445 /nfs/dbraw/zinc/83/74/45/573837445.db2.gz FVLUXWAZKQGENK-ZSBIGDGJSA-N 2 1 196.338 1.987 10 0 ADAEMP CC[C@@H](C[NH3+])C[C@@H]1CC[N@@H+](C)C1 259573485 573837828 /nfs/dbraw/zinc/83/78/28/573837828.db2.gz YSEQBJLJQBWHJV-ZJUUUORDSA-N 2 1 170.300 1.313 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C(C)(C)C 258966708 573837833 /nfs/dbraw/zinc/83/78/33/573837833.db2.gz KZQRTJDJXILNAI-SNVBAGLBSA-N 2 1 186.343 1.948 10 0 ADAEMP C[NH2+][C@H](C[NH2+]C1CC1)C1CCCCC1 259575190 573837987 /nfs/dbraw/zinc/83/79/87/573837987.db2.gz WWTXRZBDLQZJBF-GFCCVEGCSA-N 2 1 196.338 1.907 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH3+])CC1(C)C 259207622 573837997 /nfs/dbraw/zinc/83/79/97/573837997.db2.gz CISFGVVDPMCQKW-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]2C[C@@H]2C[NH2+]C2CC2)C1 308448949 573838063 /nfs/dbraw/zinc/83/80/63/573838063.db2.gz CBSXYPUVHZCQAO-UMNHJUIQSA-N 2 1 194.322 1.326 10 0 ADAEMP CC(C)CC[N@H+]1C[C@H](C)[C@@](C)(C[NH3+])C1 308449583 573842481 /nfs/dbraw/zinc/84/24/81/573842481.db2.gz ATMNKVGQKWYFEU-RYUDHWBXSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[NH3+])CC1(C)C 259207620 573841865 /nfs/dbraw/zinc/84/18/65/573841865.db2.gz CISFGVVDPMCQKW-JTQLQIEISA-N 2 1 184.327 1.844 10 0 ADAEMP [NH3+][C@@H](c1cccs1)[C@@H]1CC[NH2+]C1 259575378 573842276 /nfs/dbraw/zinc/84/22/76/573842276.db2.gz YVTQVUHWIQSMMT-VXNVDRBHSA-N 2 1 182.292 1.357 10 0 ADAEMP CC1(C)CC[N@H+]([C@H]2CCC[C@@H]2C[NH3+])C1 87232798 573847200 /nfs/dbraw/zinc/84/72/00/573847200.db2.gz UNZMCFSMJWIORO-MNOVXSKESA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@@H](N)[C@@H](C)[N@H+]1CCC(C)(C)C1 87252191 573846463 /nfs/dbraw/zinc/84/64/63/573846463.db2.gz HIYCQPDTTPHOHQ-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@@H]([NH3+])[C@@H](C)N1CCC(C)(C)C1 87252191 573846471 /nfs/dbraw/zinc/84/64/71/573846471.db2.gz HIYCQPDTTPHOHQ-RKDXNWHRSA-N 2 1 170.300 1.454 10 0 ADAEMP CCC[N@H+]1CCC[NH2+]CC(C)(C)C1 259209828 573846510 /nfs/dbraw/zinc/84/65/10/573846510.db2.gz CMPZLPKAIOAEIF-UHFFFAOYSA-N 2 1 184.327 1.718 10 0 ADAEMP CCC(CC)[N@H+](C)[C@@H](CC)C(N)=[NH2+] 43545569 573846724 /nfs/dbraw/zinc/84/67/24/573846724.db2.gz CJYKQYUUMVMLQF-VIFPVBQESA-N 2 1 185.315 1.821 10 0 ADAEMP CCC(CC)[N@@H+](C)[C@@H](CC)C(N)=[NH2+] 43545569 573846730 /nfs/dbraw/zinc/84/67/30/573846730.db2.gz CJYKQYUUMVMLQF-VIFPVBQESA-N 2 1 185.315 1.821 10 0 ADAEMP C[C@H]1[C@H](C[NH3+])CC[N@H+]1Cc1ccco1 259209750 573846782 /nfs/dbraw/zinc/84/67/82/573846782.db2.gz CMKUOZNNRMHVDQ-UWVGGRQHSA-N 2 1 194.278 1.449 10 0 ADAEMP CC[C@H](N)[C@H](C)[N@H+]1CCC(C)(C)C1 87252111 573847429 /nfs/dbraw/zinc/84/74/29/573847429.db2.gz JPAAGIBHRYUTLQ-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H]([NH3+])[C@H](C)N1CCC(C)(C)C1 87252111 573847432 /nfs/dbraw/zinc/84/74/32/573847432.db2.gz JPAAGIBHRYUTLQ-UWVGGRQHSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@H+](CC)[C@@H](CC)C(N)=[NH2+] 43545547 573847500 /nfs/dbraw/zinc/84/75/00/573847500.db2.gz YNAGULZMBNOLRR-IUCAKERBSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@H](C)[N@@H+](CC)[C@@H](CC)C(N)=[NH2+] 43545547 573847503 /nfs/dbraw/zinc/84/75/03/573847503.db2.gz YNAGULZMBNOLRR-IUCAKERBSA-N 2 1 185.315 1.821 10 0 ADAEMP C[N@H+]1[C@H]2CC[C@@H]1CC(CC[NH3+])C2 43559341 573847589 /nfs/dbraw/zinc/84/75/89/573847589.db2.gz KRXFGUQNHMULCW-PBINXNQUSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)[C@]1([C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 258158813 573847642 /nfs/dbraw/zinc/84/76/42/573847642.db2.gz KWCIRWPNIBWARS-NEPJUHHUSA-N 2 1 196.338 1.716 10 0 ADAEMP CC[C@@H]1[C@H]([NH3+])CC[N@H+]1C(C)C 84329188 573859273 /nfs/dbraw/zinc/85/92/73/573859273.db2.gz LNUGLJSSOUEVSV-RKDXNWHRSA-N 2 1 156.273 1.206 10 0 ADAEMP CC[N@H+]1CC[C@@H]([NH3+])[C@@H]1C(C)C 84329196 573858618 /nfs/dbraw/zinc/85/86/18/573858618.db2.gz DVJWVCVXTRMFAU-BDAKNGLRSA-N 2 1 156.273 1.064 10 0 ADAEMP CCC[C@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 84329090 573858846 /nfs/dbraw/zinc/85/88/46/573858846.db2.gz WDLQDJHKYYYNNM-BDAKNGLRSA-N 2 1 156.273 1.066 10 0 ADAEMP C[N@H+]1CC[C@H]([C@@H]([NH3+])C(C)(C)C)C1 84331937 573858968 /nfs/dbraw/zinc/85/89/68/573858968.db2.gz GLVXZFRRRLCWLA-DTWKUNHWSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H]1[C@H]([NH3+])CC[N@H+]1C(C)C 84329190 573859030 /nfs/dbraw/zinc/85/90/30/573859030.db2.gz LNUGLJSSOUEVSV-BDAKNGLRSA-N 2 1 156.273 1.206 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@H+](C)C1 84329073 573859126 /nfs/dbraw/zinc/85/91/26/573859126.db2.gz LUCZWEMCFREZBY-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CC(C)C[C@]1([NH3+])CC[N@@H+](C)C1 84329073 573859129 /nfs/dbraw/zinc/85/91/29/573859129.db2.gz LUCZWEMCFREZBY-SECBINFHSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C 84329083 573859161 /nfs/dbraw/zinc/85/91/61/573859161.db2.gz OZOUPUPDKZFIQY-IUCAKERBSA-N 2 1 156.273 1.208 10 0 ADAEMP C[NH2+]CCC[NH2+]Cc1cnc(C)s1 43606515 573859181 /nfs/dbraw/zinc/85/91/81/573859181.db2.gz BMSFLAPYAHRTHA-UHFFFAOYSA-N 2 1 199.323 1.151 10 0 ADAEMP CC[NH+](CC)C[C@H]([NH2+]C)C(C)(C)C 43808851 573861617 /nfs/dbraw/zinc/86/16/17/573861617.db2.gz YTFCFHXOTXSADM-JTQLQIEISA-N 2 1 186.343 1.962 10 0 ADAEMP C[N@H+]1CC[C@H](C2C[C@@H]3C[NH2+]C[C@H]3C2)C1 258165503 573861627 /nfs/dbraw/zinc/86/16/27/573861627.db2.gz TZPGEQZGTDTRLH-MVWJERBFSA-N 2 1 194.322 1.184 10 0 ADAEMP CCC[N@@H+]1[C@H]2CC[C@@H]1CC[NH2+]C2 101276888 573861635 /nfs/dbraw/zinc/86/16/35/573861635.db2.gz YUDGBPSOMNPOHG-ZJUUUORDSA-N 2 1 168.284 1.223 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@@H+]1CCCC[C@@H]1C 43810090 573861641 /nfs/dbraw/zinc/86/16/41/573861641.db2.gz UUEODCVQVNKZDZ-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H](C)C[N@H+]1CCCC[C@@H]1C 43810090 573861646 /nfs/dbraw/zinc/86/16/46/573861646.db2.gz UUEODCVQVNKZDZ-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H](C)[C@H](C)[NH+]1CCCC1 43807861 573861691 /nfs/dbraw/zinc/86/16/91/573861691.db2.gz MQJUWKRHFZUZJN-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[N@H+](C)CCCF 716818089 573861818 /nfs/dbraw/zinc/86/18/18/573861818.db2.gz JZHJSFXDHHCOJY-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+](C)CCCF 716818089 573861825 /nfs/dbraw/zinc/86/18/25/573861825.db2.gz JZHJSFXDHHCOJY-NXEZZACHSA-N 2 1 188.290 1.276 10 0 ADAEMP CC[NH2+][C@@H](CC)[C@H](C)[N@H+](C)CC 43820392 573861873 /nfs/dbraw/zinc/86/18/73/573861873.db2.gz KSIYRBXZYNIGSB-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H](CC)[C@H](C)[N@@H+](C)CC 43820392 573861876 /nfs/dbraw/zinc/86/18/76/573861876.db2.gz KSIYRBXZYNIGSB-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@H+](CC)C1CC1 43821325 573861916 /nfs/dbraw/zinc/86/19/16/573861916.db2.gz KKDWWOCSZNGJNW-GXSJLCMTSA-N 2 1 184.327 1.857 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[N@@H+](CC)C1CC1 43821325 573861920 /nfs/dbraw/zinc/86/19/20/573861920.db2.gz KKDWWOCSZNGJNW-GXSJLCMTSA-N 2 1 184.327 1.857 10 0 ADAEMP C[N@H+]1CC[C@H](C2C[C@H]3C[NH2+]C[C@@H]3C2)C1 258165501 573862009 /nfs/dbraw/zinc/86/20/09/573862009.db2.gz TZPGEQZGTDTRLH-DLOVCJGASA-N 2 1 194.322 1.184 10 0 ADAEMP CC(C)[C@]1([NH3+])CCC[N@@H+](C)CC1 84331911 573862011 /nfs/dbraw/zinc/86/20/11/573862011.db2.gz RDQBVHVGRGHDSW-JTQLQIEISA-N 2 1 170.300 1.456 10 0 ADAEMP CC[C@H]([NH3+])[C@H]1CCCC[N@H+]1C 84329087 573862056 /nfs/dbraw/zinc/86/20/56/573862056.db2.gz OZOUPUPDKZFIQY-DTWKUNHWSA-N 2 1 156.273 1.208 10 0 ADAEMP C[N@H+]1CC[C@@H]([C@H]([NH3+])C(C)(C)C)C1 84331936 573862111 /nfs/dbraw/zinc/86/21/11/573862111.db2.gz GLVXZFRRRLCWLA-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[NH2+][C@H](CC)[C@@H](C)[N@H+](C)CC 43820390 573862156 /nfs/dbraw/zinc/86/21/56/573862156.db2.gz KSIYRBXZYNIGSB-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)[C@@H](C)[N@@H+](C)CC 43820390 573862160 /nfs/dbraw/zinc/86/21/60/573862160.db2.gz KSIYRBXZYNIGSB-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@@H](C)[C@@H](C)[NH+]1CCCC1 43807858 573862170 /nfs/dbraw/zinc/86/21/70/573862170.db2.gz MQJUWKRHFZUZJN-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[C@@H]([NH3+])[C@@H]1CC[N@@H+](C)C1 84329091 573862204 /nfs/dbraw/zinc/86/22/04/573862204.db2.gz WDLQDJHKYYYNNM-RKDXNWHRSA-N 2 1 156.273 1.066 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@H](C)[NH+](CC)CC 43808903 573862255 /nfs/dbraw/zinc/86/22/55/573862255.db2.gz UOPNOIMKLLTRGD-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC(C)[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C 84331927 573862260 /nfs/dbraw/zinc/86/22/60/573862260.db2.gz PRQHZGYYYCIHAS-UWVGGRQHSA-N 2 1 170.300 1.454 10 0 ADAEMP CC[NH2+][C@H](C)[C@@H](C)[NH+]1CCCC1 43807549 573862334 /nfs/dbraw/zinc/86/23/34/573862334.db2.gz WIHFCBGKUOINKC-NXEZZACHSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 43806684 573864941 /nfs/dbraw/zinc/86/49/41/573864941.db2.gz DFWUULUCCQPYJV-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+][C@H](C)CC[N@H+]1CCCC[C@@H]1C 43809959 573865099 /nfs/dbraw/zinc/86/50/99/573865099.db2.gz CYVZCUGERIATOS-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+]1CCCC[C@H]1c1cc(C[NH3+])[nH]n1 259215532 573865210 /nfs/dbraw/zinc/86/52/10/573865210.db2.gz LLMNCSKVWQIXTI-JTQLQIEISA-N 2 1 194.282 1.025 10 0 ADAEMP C[N@H+]1CCCC[C@H]1c1cc(C[NH3+])[nH]n1 259215532 573865216 /nfs/dbraw/zinc/86/52/16/573865216.db2.gz LLMNCSKVWQIXTI-JTQLQIEISA-N 2 1 194.282 1.025 10 0 ADAEMP C[C@@H]1C[NH2+][C@H](C[C@H]2CCCC[NH2+]2)OC1 258439196 573865259 /nfs/dbraw/zinc/86/52/59/573865259.db2.gz JQZLPWFVCYHJIS-MXWKQRLJSA-N 2 1 198.310 1.101 10 0 ADAEMP CC[NH2+][C@@H](C)[C@@H](C)[NH+](CC)CC 43809470 573865445 /nfs/dbraw/zinc/86/54/45/573865445.db2.gz JFEGVUVSARZSFI-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)[C@H](C)[N@H+](C)CC 43820395 573865497 /nfs/dbraw/zinc/86/54/97/573865497.db2.gz KSIYRBXZYNIGSB-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)[C@H](C)[N@@H+](C)CC 43820395 573865502 /nfs/dbraw/zinc/86/55/02/573865502.db2.gz KSIYRBXZYNIGSB-VHSXEESVSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[C@H](C)[C@]1([NH3+])CCC[N@@H+](C)CC1 84345422 573866534 /nfs/dbraw/zinc/86/65/34/573866534.db2.gz COCDNVBNCNLXOK-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP C[N@H+]1CCCC[C@H]1[C@@H]([NH3+])C(C)(C)C 84345461 573865787 /nfs/dbraw/zinc/86/57/87/573865787.db2.gz XDVJVKDKXRHCLB-VHSXEESVSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[NH2+][C@@H](C[NH3+])C1(C(C)C)CCC1 686133024 573865865 /nfs/dbraw/zinc/86/58/65/573865865.db2.gz NAOOKBXVPFHELF-JTQLQIEISA-N 2 1 184.327 1.750 10 0 ADAEMP CC[NH2+][C@@H](C)[C@H](C)[NH+](CC)CC 43809474 573865990 /nfs/dbraw/zinc/86/59/90/573865990.db2.gz JFEGVUVSARZSFI-UWVGGRQHSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@H](CC)[C@H](C)[NH+]1CCCC1 43807320 573866026 /nfs/dbraw/zinc/86/60/26/573866026.db2.gz XLSJGZZGFZDDAE-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@@H+]1C[C@H](C(C)(C)C)C[C@@H]1C[NH3+] 258440967 573866085 /nfs/dbraw/zinc/86/60/85/573866085.db2.gz FBICTGKAIZVMLG-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1C[C@H](C(C)(C)C)C[C@@H]1C[NH3+] 258440967 573866090 /nfs/dbraw/zinc/86/60/90/573866090.db2.gz FBICTGKAIZVMLG-RKDXNWHRSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[NH+](CC)CC 43808897 573866145 /nfs/dbraw/zinc/86/61/45/573866145.db2.gz UOPNOIMKLLTRGD-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)C[NH+](CC)CC 43809598 573866257 /nfs/dbraw/zinc/86/62/57/573866257.db2.gz SYHREVVHOVNVSL-SNVBAGLBSA-N 2 1 172.316 1.716 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@H+](C)CC 43819917 573866267 /nfs/dbraw/zinc/86/62/67/573866267.db2.gz JWKYNOOEYAYDGS-BDAKNGLRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)[N@@H+](C)CC 43819917 573866272 /nfs/dbraw/zinc/86/62/72/573866272.db2.gz JWKYNOOEYAYDGS-BDAKNGLRSA-N 2 1 158.289 1.325 10 0 ADAEMP CC[C@@H]([NH2+]C)[C@@H](C)[NH+](CC)CC 43808899 573866307 /nfs/dbraw/zinc/86/63/07/573866307.db2.gz UOPNOIMKLLTRGD-NXEZZACHSA-N 2 1 172.316 1.715 10 0 ADAEMP CCC[NH2+][C@H](C)[C@@H](C)[NH+]1CCCC1 43807859 573866328 /nfs/dbraw/zinc/86/63/28/573866328.db2.gz MQJUWKRHFZUZJN-GHMZBOCLSA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CC[C@H]([C@H]([NH3+])c2cccs2)C1 84360054 573866494 /nfs/dbraw/zinc/86/64/94/573866494.db2.gz LWAGOAIBMVURJC-WPRPVWTQSA-N 2 1 196.319 1.700 10 0 ADAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CC 43820822 573866557 /nfs/dbraw/zinc/86/65/57/573866557.db2.gz JUPWIDROVJZRIW-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CC 43820822 573866560 /nfs/dbraw/zinc/86/65/60/573866560.db2.gz JUPWIDROVJZRIW-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP CC[C@@H](C)[C@@]1([NH3+])CCC[N@@H+](C)CC1 84345427 573866754 /nfs/dbraw/zinc/86/67/54/573866754.db2.gz COCDNVBNCNLXOK-GHMZBOCLSA-N 2 1 184.327 1.846 10 0 ADAEMP CC[NH2+][C@@H](CC)[C@@H](C)[N@H+](C)CC 43820387 573866836 /nfs/dbraw/zinc/86/68/36/573866836.db2.gz KSIYRBXZYNIGSB-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](C)CC 43820387 573866842 /nfs/dbraw/zinc/86/68/42/573866842.db2.gz KSIYRBXZYNIGSB-ZJUUUORDSA-N 2 1 172.316 1.715 10 0 ADAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)CC 43820599 573866927 /nfs/dbraw/zinc/86/69/27/573866927.db2.gz WAAYNIDKMKQSDQ-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[C@@H]1C[NH2+][C@@H](C[C@@H]2CCCC[NH2+]2)OC1 258439198 573866931 /nfs/dbraw/zinc/86/69/31/573866931.db2.gz JQZLPWFVCYHJIS-OUAUKWLOSA-N 2 1 198.310 1.101 10 0 ADAEMP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)CC 43820599 573866936 /nfs/dbraw/zinc/86/69/36/573866936.db2.gz WAAYNIDKMKQSDQ-MNOVXSKESA-N 2 1 184.327 1.859 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1[C@H]([NH3+])C(C)(C)C 84345472 573866951 /nfs/dbraw/zinc/86/69/51/573866951.db2.gz XDVJVKDKXRHCLB-ZJUUUORDSA-N 2 1 184.327 1.844 10 0 ADAEMP C[N@@H+]1C[C@@H](C(C)(C)C)C[C@H]1C[NH3+] 258440957 573867061 /nfs/dbraw/zinc/86/70/61/573867061.db2.gz FBICTGKAIZVMLG-IUCAKERBSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1C[C@@H](C(C)(C)C)C[C@H]1C[NH3+] 258440957 573867064 /nfs/dbraw/zinc/86/70/64/573867064.db2.gz FBICTGKAIZVMLG-IUCAKERBSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@@H+]1C[C@H](C(C)(C)C)C[C@H]1C[NH3+] 258440938 573867338 /nfs/dbraw/zinc/86/73/38/573867338.db2.gz FBICTGKAIZVMLG-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1C[C@H](C(C)(C)C)C[C@H]1C[NH3+] 258440938 573867342 /nfs/dbraw/zinc/86/73/42/573867342.db2.gz FBICTGKAIZVMLG-BDAKNGLRSA-N 2 1 170.300 1.312 10 0 ADAEMP C[N@H+]1CCC[C@@H](CCC2([NH3+])CCC2)C1 258168854 573876385 /nfs/dbraw/zinc/87/63/85/573876385.db2.gz XGWHJJUTTXLGGL-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP C[C@H]([NH3+])c1cnc([C@H]2CCCC[NH2+]2)o1 258169852 573876428 /nfs/dbraw/zinc/87/64/28/573876428.db2.gz RIVMIWUUKYJHDN-JGVFFNPUSA-N 2 1 195.266 1.509 10 0 ADAEMP C[NH2+][C@@H](C[N@H+](C)CC1CC1)C(C)(C)C 43905111 573875747 /nfs/dbraw/zinc/87/57/47/573875747.db2.gz ZYEZRJKGRNGMQC-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP C[NH2+][C@@H](C[N@@H+](C)CC1CC1)C(C)(C)C 43905111 573875751 /nfs/dbraw/zinc/87/57/51/573875751.db2.gz ZYEZRJKGRNGMQC-NSHDSACASA-N 2 1 198.354 1.962 10 0 ADAEMP Cc1ccc([C@]2(N)CC[N@@H+](C)C2)cc1 84350513 573875885 /nfs/dbraw/zinc/87/58/85/573875885.db2.gz HDDATBKYEMZYMQ-LBPRGKRZSA-N 2 1 190.290 1.485 10 0 ADAEMP Cc1ccc([C@]2(N)CC[N@H+](C)C2)cc1 84350513 573875886 /nfs/dbraw/zinc/87/58/86/573875886.db2.gz HDDATBKYEMZYMQ-LBPRGKRZSA-N 2 1 190.290 1.485 10 0 ADAEMP C[C@@H]([NH3+])c1cnc([C@H]2CCCC[NH2+]2)o1 258169845 573876020 /nfs/dbraw/zinc/87/60/20/573876020.db2.gz RIVMIWUUKYJHDN-HTQZYQBOSA-N 2 1 195.266 1.509 10 0 ADAEMP CC[NH2+][C@H](CC[NH+](C)C)c1ccc[nH]1 308460581 573876221 /nfs/dbraw/zinc/87/62/21/573876221.db2.gz GARLZDZDPLSDAP-LLVKDONJSA-N 2 1 195.310 1.617 10 0 ADAEMP CC[C@H]([NH2+]C)[C@H](C)n1cc[nH+]c1C 43994412 573878023 /nfs/dbraw/zinc/87/80/23/573878023.db2.gz FGSJIGXZWUUXMS-WPRPVWTQSA-N 2 1 181.283 1.751 10 0 ADAEMP CCC[N@@H+](CC1CC1)C[C@H](C)NC 43967368 573878037 /nfs/dbraw/zinc/87/80/37/573878037.db2.gz AWESNXIQTTYXEY-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+](CC1CC1)C[C@H](C)NC 43967368 573878042 /nfs/dbraw/zinc/87/80/42/573878042.db2.gz AWESNXIQTTYXEY-JTQLQIEISA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@@H]1[N@H+]1C[C@@H](C)C[C@@H]1C 222765184 573878117 /nfs/dbraw/zinc/87/81/17/573878117.db2.gz CVEYMDJPOTUGKU-BJDJZHNGSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@@H+]1CCC[C@@H]1CC(F)(F)C[NH3+] 257895716 573878162 /nfs/dbraw/zinc/87/81/62/573878162.db2.gz OBYJGVVAWDYNEV-SSDOTTSWSA-N 2 1 178.226 1.065 10 0 ADAEMP C[N@H+]1CCC[C@@H]1CC(F)(F)C[NH3+] 257895716 573878166 /nfs/dbraw/zinc/87/81/66/573878166.db2.gz OBYJGVVAWDYNEV-SSDOTTSWSA-N 2 1 178.226 1.065 10 0 ADAEMP CN[C@@H](C)C[N@H+](CC1CC1)C(C)C 43974304 573878248 /nfs/dbraw/zinc/87/82/48/573878248.db2.gz BGOAULWKTCHIFJ-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP CN[C@@H](C)C[N@@H+](CC1CC1)C(C)C 43974304 573878256 /nfs/dbraw/zinc/87/82/56/573878256.db2.gz BGOAULWKTCHIFJ-JTQLQIEISA-N 2 1 184.327 1.715 10 0 ADAEMP C[NH2+]C[C@]1([C@H]2CC[N@@H+](C)C2)CC1(C)C 258982152 573878355 /nfs/dbraw/zinc/87/83/55/573878355.db2.gz JVOZCFAZKPZWMX-JQWIXIFHSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@H]([NH2+]C)[C@@H](C)n1cc[nH+]c1C 43994408 573878486 /nfs/dbraw/zinc/87/84/86/573878486.db2.gz FGSJIGXZWUUXMS-SCZZXKLOSA-N 2 1 181.283 1.751 10 0 ADAEMP CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1[NH2+]CC[NH3+] 80165770 573878530 /nfs/dbraw/zinc/87/85/30/573878530.db2.gz NCWMVDHTIDWYTN-HOSYDEDBSA-N 2 1 196.338 1.750 10 0 ADAEMP CC[NH2+][C@@H](C)Cn1cc[nH+]c1CC 44036232 573878637 /nfs/dbraw/zinc/87/86/37/573878637.db2.gz TWTPDEYRQBPZTO-VIFPVBQESA-N 2 1 181.283 1.444 10 0 ADAEMP FC(F)C[NH2+]CCC[C@@H]1CC[NH2+]C1 147873090 573884018 /nfs/dbraw/zinc/88/40/18/573884018.db2.gz IETIOJPHLUZORL-MRVPVSSYSA-N 2 1 192.253 1.231 10 0 ADAEMP CCc1[nH]cc(C[C@H]2CC[NH2+]C2)[nH+]1 257893487 573884233 /nfs/dbraw/zinc/88/42/33/573884233.db2.gz NSSYBGIXWPZFFQ-MRVPVSSYSA-N 2 1 179.267 1.124 10 0 ADAEMP C[C@H]1CCC[C@H](CC[NH2+]CC[NH3+])C1 393568267 573884302 /nfs/dbraw/zinc/88/43/02/573884302.db2.gz QTJFEKVVZYUZKX-WDEREUQCSA-N 2 1 184.327 1.751 10 0 ADAEMP C[C@H]1CCC[C@@H](CC[NH2+]CC[NH3+])C1 393568265 573886100 /nfs/dbraw/zinc/88/61/00/573886100.db2.gz QTJFEKVVZYUZKX-QWRGUYRKSA-N 2 1 184.327 1.751 10 0 ADAEMP Cc1ccc([C@H]2[NH2+]CCC[C@H]2C[NH3+])o1 238549472 573886213 /nfs/dbraw/zinc/88/62/13/573886213.db2.gz FZCFIBDSAMUCSH-ONGXEEELSA-N 2 1 194.278 1.587 10 0 ADAEMP Nc1cc([C@@H]2CCCC[C@@H]2[NH3+])cc[nH+]1 238560577 573886265 /nfs/dbraw/zinc/88/62/65/573886265.db2.gz YMWXEIYMDAEXLS-UWVGGRQHSA-N 2 1 191.278 1.649 10 0 ADAEMP [NH3+]CC[C@@H]1CC[N@H+]2CCCC[C@@H]2C1 238554196 573886547 /nfs/dbraw/zinc/88/65/47/573886547.db2.gz KFRXOQLWXHGMOV-GHMZBOCLSA-N 2 1 182.311 1.600 10 0 ADAEMP C[C@H]1[C@@H](C[NH3+])CC[N@H+]1C(C)(C)C 259219583 573886597 /nfs/dbraw/zinc/88/65/97/573886597.db2.gz CXBMZYKZKKIGAB-DTWKUNHWSA-N 2 1 170.300 1.454 10 0 ADAEMP C[N@@H+](CCC(C)(C)[NH3+])C1CCC1 127508072 573890175 /nfs/dbraw/zinc/89/01/75/573890175.db2.gz BQEPLWDGCSVONC-UHFFFAOYSA-N 2 1 170.300 1.598 10 0 ADAEMP CCC[C@@](C)([NH3+])C[N@@H+](C)C1CCC1 127522820 573890342 /nfs/dbraw/zinc/89/03/42/573890342.db2.gz NKDAWWLKHHPZHV-LLVKDONJSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H](CC[NH3+])C[N@@H+](C)C1CCC1 127517307 573890562 /nfs/dbraw/zinc/89/05/62/573890562.db2.gz VNZQLFKSDBNJAD-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP C[C@H]1C[C@@H](CC[NH3+])CC[N@H+]1C 76591973 573890698 /nfs/dbraw/zinc/89/06/98/573890698.db2.gz KUGOIOBAWIRKSB-IUCAKERBSA-N 2 1 156.273 1.066 10 0 ADAEMP C[NH2+]C(C)(C)C[N@H+](C)C1CCC1 127523049 573890743 /nfs/dbraw/zinc/89/07/43/573890743.db2.gz RHQCBXUTAKFOLC-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP C[NH2+]C(C)(C)C[N@@H+](C)C1CCC1 127523049 573890748 /nfs/dbraw/zinc/89/07/48/573890748.db2.gz RHQCBXUTAKFOLC-UHFFFAOYSA-N 2 1 170.300 1.469 10 0 ADAEMP C[N@@H+](C[C@@](C)([NH3+])C1CC1)C1CCC1 127506073 573890777 /nfs/dbraw/zinc/89/07/77/573890777.db2.gz HCZPIHZNHVYGEQ-LLVKDONJSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+]1CC[C@@H](CC2([NH3+])CCCC2)C1 258174091 573891543 /nfs/dbraw/zinc/89/15/43/573891543.db2.gz XRVWKYLZULOUEE-NSHDSACASA-N 2 1 196.338 1.990 10 0 ADAEMP Cc1nc(C[NH+]2CCCCC2)c[nH]1 144953495 573890850 /nfs/dbraw/zinc/89/08/50/573890850.db2.gz AXFHUDSZHOGISZ-UHFFFAOYSA-N 2 1 179.267 1.704 10 0 ADAEMP CC(C)C[C@H]1[C@@H]([NH3+])CC[N@H+]1C 76592053 573890875 /nfs/dbraw/zinc/89/08/75/573890875.db2.gz FHDVSJSOOGRRCQ-IUCAKERBSA-N 2 1 156.273 1.064 10 0 ADAEMP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2C=CCC2)C1 238560963 573891102 /nfs/dbraw/zinc/89/11/02/573891102.db2.gz GYZJTBNSHYFPMQ-VXGBXAGGSA-N 2 1 194.322 1.766 10 0 ADAEMP CC(C)Cc1c[nH]c(C[C@H](C)C[NH3+])[nH+]1 259221122 573891131 /nfs/dbraw/zinc/89/11/31/573891131.db2.gz ZJUVQPNZCXZYRI-VIFPVBQESA-N 2 1 195.310 1.746 10 0 ADAEMP CC(C)[N@H+]1CCC[C@H]([NH3+])CC1 76592037 573891296 /nfs/dbraw/zinc/89/12/96/573891296.db2.gz NPTFUEOXDCOHHR-VIFPVBQESA-N 2 1 156.273 1.208 10 0 ADAEMP C[N@@H+](CC[C@@H]([NH3+])C1CC1)C1CCC1 127519131 573891458 /nfs/dbraw/zinc/89/14/58/573891458.db2.gz LQOGYTUVARSUFX-LLVKDONJSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@H+]1CCC[C@@H](C[C@]2(C)CCC[NH2+]2)C1 258175170 573898646 /nfs/dbraw/zinc/89/86/46/573898646.db2.gz LTGODKBSCVTDML-RYUDHWBXSA-N 2 1 196.338 1.860 10 0 ADAEMP C[N@H+]1CC[C@@H](CC2(C[NH3+])CC2)C1 259224167 573898984 /nfs/dbraw/zinc/89/89/84/573898984.db2.gz UMVDKUJLZRRMSM-VIFPVBQESA-N 2 1 168.284 1.067 10 0 ADAEMP CC(C)[C@H]1[NH2+]CCC[C@H]1[NH+](C)C 238175646 573899091 /nfs/dbraw/zinc/89/90/91/573899091.db2.gz PWQKEVWVGJUTDV-NXEZZACHSA-N 2 1 170.300 1.325 10 0 ADAEMP CCC[N@@H+](C)CC1(C[NH2+]C)CC1 258991609 573899268 /nfs/dbraw/zinc/89/92/68/573899268.db2.gz VROLVGONMCIEQR-UHFFFAOYSA-N 2 1 170.300 1.328 10 0 ADAEMP C[N@H+]1CCC[C@H](C[C@]2(C)CCC[NH2+]2)C1 258175162 573899418 /nfs/dbraw/zinc/89/94/18/573899418.db2.gz LTGODKBSCVTDML-NEPJUHHUSA-N 2 1 196.338 1.860 10 0 ADAEMP CC(C)[C@H](C[NH3+])C[N@@H+](C)C1CCC1 127532180 573901162 /nfs/dbraw/zinc/90/11/62/573901162.db2.gz WHQVZYJQGWKEJY-SNVBAGLBSA-N 2 1 184.327 1.702 10 0 ADAEMP CCC[N@H+](C[C@H](C)[NH2+]C)C1CC1 44471908 573901243 /nfs/dbraw/zinc/90/12/43/573901243.db2.gz CWUAEMBVWSMNPC-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CCC[N@@H+](C[C@H](C)[NH2+]C)C1CC1 44471908 573901247 /nfs/dbraw/zinc/90/12/47/573901247.db2.gz CWUAEMBVWSMNPC-VIFPVBQESA-N 2 1 170.300 1.469 10 0 ADAEMP CC[N@@H+]1CCC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258176125 573901284 /nfs/dbraw/zinc/90/12/84/573901284.db2.gz SBEKTBFWYIBDBI-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@@H]([C@@H]2[NH2+]CCCO2)C1 258176125 573901287 /nfs/dbraw/zinc/90/12/87/573901287.db2.gz SBEKTBFWYIBDBI-GHMZBOCLSA-N 2 1 198.310 1.054 10 0 ADAEMP CCCC[N@H+](C)C[C@H](C)[NH2+]C 44471736 573901407 /nfs/dbraw/zinc/90/14/07/573901407.db2.gz CJKFRBXGPOLKRE-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C 44471736 573901410 /nfs/dbraw/zinc/90/14/10/573901410.db2.gz CJKFRBXGPOLKRE-VIFPVBQESA-N 2 1 158.289 1.326 10 0 ADAEMP CC[N@@H+]1CCC[C@H]([C@@H]2[NH2+]CCCO2)C1 258176151 573901683 /nfs/dbraw/zinc/90/16/83/573901683.db2.gz SBEKTBFWYIBDBI-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP CC[N@H+]1CCC[C@H]([C@@H]2[NH2+]CCCO2)C1 258176151 573901688 /nfs/dbraw/zinc/90/16/88/573901688.db2.gz SBEKTBFWYIBDBI-WDEREUQCSA-N 2 1 198.310 1.054 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1c1cc(C[NH3+])no1 259229597 573902760 /nfs/dbraw/zinc/90/27/60/573902760.db2.gz MJBRBGBQQSIMGJ-SECBINFHSA-N 2 1 195.266 1.290 10 0 ADAEMP C[N@H+]1CCCC[C@H]1c1cc(C[NH3+])no1 259229601 573902871 /nfs/dbraw/zinc/90/28/71/573902871.db2.gz MJBRBGBQQSIMGJ-VIFPVBQESA-N 2 1 195.266 1.290 10 0 ADAEMP C[NH+](C)[C@H](CC(C)(C)[NH3+])c1ccc[nH]1 259231087 573903005 /nfs/dbraw/zinc/90/30/05/573903005.db2.gz AURDUIVQGGFQSE-SNVBAGLBSA-N 2 1 195.310 1.745 10 0 ADAEMP CC(C)(CC[NH3+])Nc1ccc(N)c[nH+]1 259230881 573903091 /nfs/dbraw/zinc/90/30/91/573903091.db2.gz BJVYUAITBUOLQJ-UHFFFAOYSA-N 2 1 194.282 1.203 10 0 ADAEMP C[C@H](CC(N)=[NH2+])[N@@H+](C)C1CCC1 127473671 573903138 /nfs/dbraw/zinc/90/31/38/573903138.db2.gz QNUCUNICUKLQEI-SSDOTTSWSA-N 2 1 169.272 1.185 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@@H+]1C 238191733 573903216 /nfs/dbraw/zinc/90/32/16/573903216.db2.gz MAKPJTOIRLUZPV-GRYCIOLGSA-N 2 1 196.338 1.715 10 0 ADAEMP CC(C)[C@@H]1[C@H]2[NH2+]CCC[C@@H]2CC[N@H+]1C 238191733 573903221 /nfs/dbraw/zinc/90/32/21/573903221.db2.gz MAKPJTOIRLUZPV-GRYCIOLGSA-N 2 1 196.338 1.715 10 0 ADAEMP C[N@@H+](CCCC(N)=[NH2+])C1CCC1 127473174 573903258 /nfs/dbraw/zinc/90/32/58/573903258.db2.gz MALYVEMRYPLWGB-UHFFFAOYSA-N 2 1 169.272 1.187 10 0 ADAEMP CC[C@@H](CC(N)=[NH2+])[N@@H+](C)C1CCC1 127474458 573903396 /nfs/dbraw/zinc/90/33/96/573903396.db2.gz IFWMYSBLXAZFPO-QMMMGPOBSA-N 2 1 183.299 1.575 10 0 ADAEMP C[NH2+]CC1(C[C@@H]2CC[N@@H+](C)C2)CC1 259234155 573907279 /nfs/dbraw/zinc/90/72/79/573907279.db2.gz VEGRKNUAPLFKRP-JTQLQIEISA-N 2 1 182.311 1.328 10 0 ADAEMP CCC[NH2+]CC[N@@H+]1CCC[C@H]1CC 44380178 573907342 /nfs/dbraw/zinc/90/73/42/573907342.db2.gz PITHNZLKPJMPTD-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CCC[NH2+]CC[N@H+]1CCC[C@H]1CC 44380178 573907349 /nfs/dbraw/zinc/90/73/49/573907349.db2.gz PITHNZLKPJMPTD-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H](C[N@@H+](C)CC1CCCC1)C(N)=[NH2+] 44413535 573907399 /nfs/dbraw/zinc/90/73/99/573907399.db2.gz KZJFXQQZBHZCEL-VIFPVBQESA-N 2 1 197.326 1.680 10 0 ADAEMP C[C@H](C[N@@H+](C)CC1CCCC1)C(N)=[NH2+] 44413537 573907478 /nfs/dbraw/zinc/90/74/78/573907478.db2.gz KZJFXQQZBHZCEL-SECBINFHSA-N 2 1 197.326 1.680 10 0 ADAEMP CC(C)[NH2+]C[C@@H]1C[C@@H]1[C@H]1CC[N@@H+](C)C1 308462432 573907603 /nfs/dbraw/zinc/90/76/03/573907603.db2.gz SIWQTXHNGLDYRQ-SDDRHHMPSA-N 2 1 196.338 1.572 10 0 ADAEMP CCC[N@H+]1CC[C@@H](C[NH3+])CC1(C)C 259228782 573907664 /nfs/dbraw/zinc/90/76/64/573907664.db2.gz DGSTWAWQRZFATN-SNVBAGLBSA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 259002192 573914633 /nfs/dbraw/zinc/91/46/33/573914633.db2.gz WYRAEUFEBMQVDF-GFCCVEGCSA-N 2 1 198.354 1.964 10 0 ADAEMP CC(C)CCC[N@@H+](C)C[C@H]1CC[NH2+]C1 259004366 573914687 /nfs/dbraw/zinc/91/46/87/573914687.db2.gz WYRAEUFEBMQVDF-LBPRGKRZSA-N 2 1 198.354 1.964 10 0 ADAEMP C[C@@H](C[NH3+])CC[N@@H+](C)Cc1cc[nH]c1 259002189 573914891 /nfs/dbraw/zinc/91/48/91/573914891.db2.gz WYMVWQVWSDFUBR-SNVBAGLBSA-N 2 1 195.310 1.431 10 0 ADAEMP CC(C)[C@H]1[C@@H](C[NH3+])CCCC[N@H+]1C 238184354 573915008 /nfs/dbraw/zinc/91/50/08/573915008.db2.gz RLJBTGBBVDLWAJ-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@@](C)(C[NH3+])C[N@@H+](C)C1CCC1 127565498 573915110 /nfs/dbraw/zinc/91/51/10/573915110.db2.gz ATVDRVJLOZFUQE-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)[N@H+]1CCC=C(C[C@@H](C)[NH3+])C1 258180221 573915138 /nfs/dbraw/zinc/91/51/38/573915138.db2.gz SRFDCFWFCLQRHY-SNVBAGLBSA-N 2 1 182.311 1.764 10 0 ADAEMP Cc1[nH+]c[nH]c1CC1CC[NH2+]CC1 257897986 573915528 /nfs/dbraw/zinc/91/55/28/573915528.db2.gz OJMYDVSMBGYTMC-UHFFFAOYSA-N 2 1 179.267 1.260 10 0 ADAEMP Cc1[nH]c[nH+]c1CC1CC[NH2+]CC1 257897986 573915534 /nfs/dbraw/zinc/91/55/34/573915534.db2.gz OJMYDVSMBGYTMC-UHFFFAOYSA-N 2 1 179.267 1.260 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@H]1CCCCC[NH2+]1 81038668 573926677 /nfs/dbraw/zinc/92/66/77/573926677.db2.gz GSCFYZWCHQTNEU-GHMZBOCLSA-N 2 1 196.338 1.907 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]C[C@H]1CCCCC[NH2+]1 81038665 573926724 /nfs/dbraw/zinc/92/67/24/573926724.db2.gz GSCFYZWCHQTNEU-MNOVXSKESA-N 2 1 196.338 1.907 10 0 ADAEMP CC1(C)C[C@H]1[NH2+]C[C@@H]1CCCCC[NH2+]1 81038664 573926848 /nfs/dbraw/zinc/92/68/48/573926848.db2.gz GSCFYZWCHQTNEU-WDEREUQCSA-N 2 1 196.338 1.907 10 0 ADAEMP C1CC[NH2+][C@@H](C[NH2+]C2CC2)CC1 81038149 573926984 /nfs/dbraw/zinc/92/69/84/573926984.db2.gz LAEVKSQUFZPMPF-SNVBAGLBSA-N 2 1 168.284 1.271 10 0 ADAEMP C[NH2+][C@H](C[NH3+])CC1CCCCC1 87473532 573927096 /nfs/dbraw/zinc/92/70/96/573927096.db2.gz DLMKBCYGVNDQGD-JTQLQIEISA-N 2 1 170.300 1.504 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CC[C@@H](CC)C1 127734637 573934625 /nfs/dbraw/zinc/93/46/25/573934625.db2.gz XPYOHVXPMHAVQD-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC[C@H]1CC[C@@H](C)[N@H+]1CCCC(N)=[NH2+] 211599342 573933897 /nfs/dbraw/zinc/93/38/97/573933897.db2.gz ULMAEMSDEDZWGP-ZJUUUORDSA-N 2 1 197.326 1.965 10 0 ADAEMP CCCc1c[nH]c(C[C@@H]2CC[NH2+]C2)[nH+]1 259016983 573933903 /nfs/dbraw/zinc/93/39/03/573933903.db2.gz DTLYTMPCFMQIQJ-VIFPVBQESA-N 2 1 193.294 1.514 10 0 ADAEMP C[NH2+]CC[C@@H](C)[NH2+]Cc1ccco1 323239628 573933944 /nfs/dbraw/zinc/93/39/44/573933944.db2.gz QJKQPQAWQYJYHC-SECBINFHSA-N 2 1 182.267 1.367 10 0 ADAEMP C[NH2+]CCCC1=CCC[N@@H+](C)C1 257905087 573933984 /nfs/dbraw/zinc/93/39/84/573933984.db2.gz AWKKDANUBNANBB-UHFFFAOYSA-N 2 1 168.284 1.248 10 0 ADAEMP Cc1cn([C@@H](C)C[C@H](C)[NH3+])c(C)[nH+]1 715071988 573934029 /nfs/dbraw/zinc/93/40/29/573934029.db2.gz KPIXHNWSWAXHRB-CBAPKCEASA-N 2 1 181.283 1.798 10 0 ADAEMP CCC[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 127735680 573934169 /nfs/dbraw/zinc/93/41/69/573934169.db2.gz JEIBOGGURQQBFI-NXEZZACHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)[C@@H](C[NH3+])[NH2+]C(C)(C)C 258460445 573934220 /nfs/dbraw/zinc/93/42/20/573934220.db2.gz HBWGCRRVNYRKEO-MRVPVSSYSA-N 2 1 158.289 1.358 10 0 ADAEMP CCC[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 127735915 573934232 /nfs/dbraw/zinc/93/42/32/573934232.db2.gz JEIBOGGURQQBFI-ZJUUUORDSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@H+](CC)CC[NH2+]CC 42302530 573937492 /nfs/dbraw/zinc/93/74/92/573937492.db2.gz SFLQLKBPIWSSLC-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CCCC[N@@H+](CC)CC[NH2+]CC 42302530 573937496 /nfs/dbraw/zinc/93/74/96/573937496.db2.gz SFLQLKBPIWSSLC-UHFFFAOYSA-N 2 1 172.316 1.718 10 0 ADAEMP CCCC[N@@H+](C)CC[C@@H]([NH3+])CC 127763633 573937544 /nfs/dbraw/zinc/93/75/44/573937544.db2.gz XBCLNQOMRGANIC-JTQLQIEISA-N 2 1 172.316 1.846 10 0 ADAEMP C[C@@H]([NH3+])CCC(=O)[C@H]1CCC[N@@H+](C)C1 259245055 573937615 /nfs/dbraw/zinc/93/76/15/573937615.db2.gz RPQPVSCERWATOY-ZJUUUORDSA-N 2 1 198.310 1.025 10 0 ADAEMP CCC[N@H+](CC)CC[NH2+]CC 42302596 573937632 /nfs/dbraw/zinc/93/76/32/573937632.db2.gz MPNGFCVAHCRAND-UHFFFAOYSA-N 2 1 158.289 1.328 10 0 ADAEMP CCC[N@@H+](CC)CC[NH2+]CC 42302596 573937638 /nfs/dbraw/zinc/93/76/38/573937638.db2.gz MPNGFCVAHCRAND-UHFFFAOYSA-N 2 1 158.289 1.328 10 0 ADAEMP C[C@H]([NH3+])CCC(=O)[C@@H]1CCC[N@@H+](C)C1 259245051 573937768 /nfs/dbraw/zinc/93/77/68/573937768.db2.gz RPQPVSCERWATOY-VHSXEESVSA-N 2 1 198.310 1.025 10 0 ADAEMP Cc1[nH+]cn(C[C@H]([NH3+])C(C)C)c1C 87531826 573937801 /nfs/dbraw/zinc/93/78/01/573937801.db2.gz RSONVJUMONOJMA-JTQLQIEISA-N 2 1 181.283 1.483 10 0 ADAEMP CCCC[N@@H+](C)CC[C@H]([NH3+])CC 127763385 573937909 /nfs/dbraw/zinc/93/79/09/573937909.db2.gz XBCLNQOMRGANIC-SNVBAGLBSA-N 2 1 172.316 1.846 10 0 ADAEMP C[C@H]([NH3+])CCC(=O)[C@H]1CCC[N@@H+](C)C1 259245047 573937928 /nfs/dbraw/zinc/93/79/28/573937928.db2.gz RPQPVSCERWATOY-UWVGGRQHSA-N 2 1 198.310 1.025 10 0 ADAEMP CCC[NH2+]CCC[N@H+]1CC[C@@H](C)C1 42409720 573940492 /nfs/dbraw/zinc/94/04/92/573940492.db2.gz SFIZJKWUNDRBLT-LLVKDONJSA-N 2 1 184.327 1.718 10 0 ADAEMP CC(C)[NH2+]CCC[N@H+]1CC[C@H](C)C1 42372062 573940524 /nfs/dbraw/zinc/94/05/24/573940524.db2.gz NZNMEUFKKYMZLP-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H](C)C1CC1 42409599 573940542 /nfs/dbraw/zinc/94/05/42/573940542.db2.gz WVSDDPXUNZFTRT-SECBINFHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@@H+](CCC[NH2+]CC)C1CC1 42409514 573940585 /nfs/dbraw/zinc/94/05/85/573940585.db2.gz GKECPHOCBJKWEL-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](CC)C(C)C 127777088 573940663 /nfs/dbraw/zinc/94/06/63/573940663.db2.gz XMIIXYOYWQDHEG-SNVBAGLBSA-N 2 1 172.316 1.844 10 0 ADAEMP CC[NH2+]CCC[N@@H+](C)C[C@H](C)CC 42409529 573940679 /nfs/dbraw/zinc/94/06/79/573940679.db2.gz XKWQNAOLTBXVOO-LLVKDONJSA-N 2 1 186.343 1.964 10 0 ADAEMP CC[C@H](C)[N@H+](C)CC[C@H]([NH3+])CC 127780912 573940762 /nfs/dbraw/zinc/94/07/62/573940762.db2.gz VWVULTKQYGGGGH-VHSXEESVSA-N 2 1 172.316 1.844 10 0 ADAEMP CCC[NH2+]CCC[N@@H+](C)CC 42409479 573940882 /nfs/dbraw/zinc/94/08/82/573940882.db2.gz FWTSEXLRZKQRDK-UHFFFAOYSA-N 2 1 158.289 1.328 10 0 ADAEMP C[NH2+][C@H](C)Cn1cc(C)[nH+]c1C 715072243 573940954 /nfs/dbraw/zinc/94/09/54/573940954.db2.gz QEDIIUDQAAGQES-SSDOTTSWSA-N 2 1 167.256 1.108 10 0 ADAEMP CCCC[NH2+][C@H](C)C[NH+]1CCCC1 42371900 573940966 /nfs/dbraw/zinc/94/09/66/573940966.db2.gz JMDOWQOSNLHHFX-LLVKDONJSA-N 2 1 184.327 1.860 10 0 ADAEMP CC[NH2+]CC[N@H+](C)C[C@H](C)CC 42409523 573941030 /nfs/dbraw/zinc/94/10/30/573941030.db2.gz YRSZCSZVCFBXSQ-SNVBAGLBSA-N 2 1 172.316 1.574 10 0 ADAEMP CC[NH2+]CC[N@@H+](C)C[C@H](C)CC 42409523 573941033 /nfs/dbraw/zinc/94/10/33/573941033.db2.gz YRSZCSZVCFBXSQ-SNVBAGLBSA-N 2 1 172.316 1.574 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+](C)Cc1ccco1 127784533 573941038 /nfs/dbraw/zinc/94/10/38/573941038.db2.gz OPDJSTDNDQRLHI-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)Cc1ccco1 127784533 573941043 /nfs/dbraw/zinc/94/10/43/573941043.db2.gz OPDJSTDNDQRLHI-JTQLQIEISA-N 2 1 196.294 1.839 10 0 ADAEMP CC[N@@H+](CCC[NH2+]C)C1CCCC1 42409564 573941355 /nfs/dbraw/zinc/94/13/55/573941355.db2.gz XTBNZAGDDCDBQC-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP C[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 42372059 573941381 /nfs/dbraw/zinc/94/13/81/573941381.db2.gz PRDMFWRYCLDPQW-SNVBAGLBSA-N 2 1 182.311 1.470 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@@H]1CCSC1 42409536 573941458 /nfs/dbraw/zinc/94/14/58/573941458.db2.gz ZJBHEZBHKRUWDS-SECBINFHSA-N 2 1 188.340 1.033 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)CC(C)C 127780458 573941481 /nfs/dbraw/zinc/94/14/81/573941481.db2.gz GOOABZXSHAFBKD-SNVBAGLBSA-N 2 1 172.316 1.702 10 0 ADAEMP C[NH2+][C@H]1CCC[C@H]1n1cc(C)[nH+]c1C 715074584 573941565 /nfs/dbraw/zinc/94/15/65/573941565.db2.gz CGXBCOREGLZIJN-WDEREUQCSA-N 2 1 193.294 1.813 10 0 ADAEMP C[NH2+]CCC[N@@H+](C)[C@H]1CCSC1 42409537 573941579 /nfs/dbraw/zinc/94/15/79/573941579.db2.gz ZJBHEZBHKRUWDS-VIFPVBQESA-N 2 1 188.340 1.033 10 0 ADAEMP CC[NH2+]CCC[N@H+]1CCC[C@@H]1C 42409133 573941642 /nfs/dbraw/zinc/94/16/42/573941642.db2.gz COYMARWRAOSTJQ-JTQLQIEISA-N 2 1 170.300 1.470 10 0 ADAEMP CC(C)C[N@H+]1C[C@H](C[NH3+])CC1(C)C 259245916 573946186 /nfs/dbraw/zinc/94/61/86/573946186.db2.gz FAABOPQAJYKJGX-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC1([C@@H]([NH3+])Cc2cc[nH+]c(N)c2)CC1 87550845 573946253 /nfs/dbraw/zinc/94/62/53/573946253.db2.gz DAZNLFNXYSCLIL-VIFPVBQESA-N 2 1 191.278 1.334 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](CC)CC[NH3+] 42419613 573946263 /nfs/dbraw/zinc/94/62/63/573946263.db2.gz XBUHLNWYXHAKSC-VIFPVBQESA-N 2 1 181.283 1.745 10 0 ADAEMP CCc1[nH+]ccn1CCCC(N)=[NH2+] 42419897 573946273 /nfs/dbraw/zinc/94/62/73/573946273.db2.gz KULPCVQESGWGJA-UHFFFAOYSA-N 2 1 180.255 1.162 10 0 ADAEMP CCc1[nH+]ccn1CCC[NH2+]C(C)C 42420133 573946338 /nfs/dbraw/zinc/94/63/38/573946338.db2.gz QFPVSUSPICKJLR-UHFFFAOYSA-N 2 1 195.310 1.834 10 0 ADAEMP CCc1[nH+]ccn1CC[C@H](C)[NH3+] 42419698 573946346 /nfs/dbraw/zinc/94/63/46/573946346.db2.gz XZPRMAHZWQEGRZ-QMMMGPOBSA-N 2 1 167.256 1.183 10 0 ADAEMP C[N@@H+](CCC(N)=[NH2+])CC1CCCC1 42375046 573946387 /nfs/dbraw/zinc/94/63/87/573946387.db2.gz NAONRHPPYSTIOE-UHFFFAOYSA-N 2 1 183.299 1.434 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](C)[C@@H]([NH3+])CC 42419681 573946483 /nfs/dbraw/zinc/94/64/83/573946483.db2.gz KNCDWWNPCWCJQO-IUCAKERBSA-N 2 1 181.283 1.744 10 0 ADAEMP CCc1[nH+]ccn1CC[NH2+]C1CC1 42420140 573946492 /nfs/dbraw/zinc/94/64/92/573946492.db2.gz AOCWVHFNACPMFM-UHFFFAOYSA-N 2 1 179.267 1.198 10 0 ADAEMP CC[N@@H+](CCC1CC1)C[C@H]1C[C@@H]1C[NH3+] 715079624 573946517 /nfs/dbraw/zinc/94/65/17/573946517.db2.gz XPNNPUFOEPNODK-VXGBXAGGSA-N 2 1 196.338 1.703 10 0 ADAEMP CCc1[nH+]ccn1CC[NH2+]C(C)(C)C 42420141 573946578 /nfs/dbraw/zinc/94/65/78/573946578.db2.gz SLXZZASMEPAODI-UHFFFAOYSA-N 2 1 195.310 1.834 10 0 ADAEMP CCc1[nH+]ccn1C[C@H]([NH3+])C(C)(C)C 42419739 573946607 /nfs/dbraw/zinc/94/66/07/573946607.db2.gz ABFFGSCTWSQQAO-VIFPVBQESA-N 2 1 195.310 1.819 10 0 ADAEMP CCc1[nH+]ccn1[C@H](C)CC(N)=[NH2+] 42419904 573946630 /nfs/dbraw/zinc/94/66/30/573946630.db2.gz SZUSYNPXBQARHB-SSDOTTSWSA-N 2 1 180.255 1.333 10 0 ADAEMP CCc1[nH+]ccn1[C@@H](CC)CC(N)=[NH2+] 42419901 573946664 /nfs/dbraw/zinc/94/66/64/573946664.db2.gz XAPWVIWANKHGLF-QMMMGPOBSA-N 2 1 194.282 1.723 10 0 ADAEMP C[NH2+]CC[NH2+]C1(C)CCCCC1 45047266 573946667 /nfs/dbraw/zinc/94/66/67/573946667.db2.gz OKORECMXPKFBAU-UHFFFAOYSA-N 2 1 170.300 1.518 10 0 ADAEMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C[NH3+])C(C)(C)C1 715079082 573946704 /nfs/dbraw/zinc/94/67/04/573946704.db2.gz VBUJLQQSKNRUSP-AXFHLTTASA-N 2 1 196.338 1.702 10 0 ADAEMP C[N@H+]1CCC[C@H]([C@]2(C[NH3+])CC2(C)C)C1 259025473 573947671 /nfs/dbraw/zinc/94/76/71/573947671.db2.gz QNNNIUFAXNRKHK-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP CC1=C2CCC[N@@H+]3CCC[C@H](C[NH2+]1)[C@@H]23 238215357 573947915 /nfs/dbraw/zinc/94/79/15/573947915.db2.gz BERVEFHRGWGBMY-PWSUYJOCSA-N 2 1 192.306 1.738 10 0 ADAEMP CC1=C2CCC[N@H+]3CCC[C@H](C[NH2+]1)[C@@H]23 238215357 573947919 /nfs/dbraw/zinc/94/79/19/573947919.db2.gz BERVEFHRGWGBMY-PWSUYJOCSA-N 2 1 192.306 1.738 10 0 ADAEMP C[C@H]1C[N@H+]([C@@H]2CC2(C)C)CC[C@@H]1[NH3+] 45135317 573948079 /nfs/dbraw/zinc/94/80/79/573948079.db2.gz OFVDVNJKMNKISH-LPEHRKFASA-N 2 1 182.311 1.454 10 0 ADAEMP CC(C)[NH2+][C@@H](C[NH3+])C1CCC1 87584953 573951928 /nfs/dbraw/zinc/95/19/28/573951928.db2.gz RBFFDNZUCLCYEF-VIFPVBQESA-N 2 1 156.273 1.112 10 0 ADAEMP C[C@H]([NH3+])[C@@](C)(F)[C@H]1CC[N@@H+](C)C1 257915604 573952080 /nfs/dbraw/zinc/95/20/80/573952080.db2.gz QSNIJLBFEFOTDH-XHNCKOQMSA-N 2 1 174.263 1.014 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 85014501 573952105 /nfs/dbraw/zinc/95/21/05/573952105.db2.gz BVTITSAVJMTOEL-ZJUUUORDSA-N 2 1 182.311 1.598 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@@H](C)C[NH3+] 42443007 573952168 /nfs/dbraw/zinc/95/21/68/573952168.db2.gz GZVNAOOOXLTSEA-VIFPVBQESA-N 2 1 170.300 1.313 10 0 ADAEMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC1(C)C 45118960 573952172 /nfs/dbraw/zinc/95/21/72/573952172.db2.gz TYTGZJQCMSXRPY-JTQLQIEISA-N 2 1 193.294 1.580 10 0 ADAEMP C[NH2+]C[C@H]1CC[N@H+](C(C)C)CC1(C)C 259248319 573952369 /nfs/dbraw/zinc/95/23/69/573952369.db2.gz MEOVRFPPTOELQE-LLVKDONJSA-N 2 1 198.354 1.962 10 0 ADAEMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 85014294 573952428 /nfs/dbraw/zinc/95/24/28/573952428.db2.gz FNQKEVPKGIOMTM-UTUOFQBUSA-N 2 1 196.338 1.846 10 0 ADAEMP [NH3+]C[C@]1(F)CCC[N@@H+]2CCCC[C@H]21 257910256 573952470 /nfs/dbraw/zinc/95/24/70/573952470.db2.gz QFJGVCQDUSGUAB-VHSXEESVSA-N 2 1 186.274 1.302 10 0 ADAEMP [NH3+]C[C@]1(F)CCC[N@H+]2CCCC[C@H]21 257910256 573952474 /nfs/dbraw/zinc/95/24/74/573952474.db2.gz QFJGVCQDUSGUAB-VHSXEESVSA-N 2 1 186.274 1.302 10 0 ADAEMP CCc1c[nH]c(CCC(C)(C)[NH3+])[nH+]1 259026341 573952534 /nfs/dbraw/zinc/95/25/34/573952534.db2.gz FYNGATATTSSUNT-UHFFFAOYSA-N 2 1 181.283 1.642 10 0 ADAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85014259 573952536 /nfs/dbraw/zinc/95/25/36/573952536.db2.gz SRVGGJURLVTFKX-UTUOFQBUSA-N 2 1 196.338 1.988 10 0 ADAEMP CC1(C)C[C@@H]1[NH2+]CC[NH2+]C1CCCC1 45137673 573955389 /nfs/dbraw/zinc/95/53/89/573955389.db2.gz FBQSKFSTCSXLLT-NSHDSACASA-N 2 1 196.338 1.907 10 0 ADAEMP CC[N@H+](CC1CC1)C[C@H](C)C[NH3+] 42443009 573955485 /nfs/dbraw/zinc/95/54/85/573955485.db2.gz GZVNAOOOXLTSEA-SECBINFHSA-N 2 1 170.300 1.313 10 0 ADAEMP C[C@H](C[NH3+])C[N@H+](C)Cc1ccoc1 42447825 573955578 /nfs/dbraw/zinc/95/55/78/573955578.db2.gz PNWZXCVKSQDXNA-SECBINFHSA-N 2 1 182.267 1.306 10 0 ADAEMP C[C@H](C[NH3+])C[N@@H+](C)Cc1ccoc1 42447825 573955581 /nfs/dbraw/zinc/95/55/81/573955581.db2.gz PNWZXCVKSQDXNA-SECBINFHSA-N 2 1 182.267 1.306 10 0 ADAEMP C[N@@H+](CCCC[NH3+])Cc1ccoc1 42447817 573955684 /nfs/dbraw/zinc/95/56/84/573955684.db2.gz NRIGWLCPDSQENG-UHFFFAOYSA-N 2 1 182.267 1.450 10 0 ADAEMP C[NH2+][C@]1(C[NH3+])CCC[C@@H](C2CC2)C1 81641775 573955717 /nfs/dbraw/zinc/95/57/17/573955717.db2.gz LLEJDSCSRHYJPF-GHMZBOCLSA-N 2 1 182.311 1.504 10 0 ADAEMP C[NH2+][C@@]1(C[NH3+])CCC[C@H](C2CC2)C1 81641771 573955786 /nfs/dbraw/zinc/95/57/86/573955786.db2.gz LLEJDSCSRHYJPF-QWRGUYRKSA-N 2 1 182.311 1.504 10 0 ADAEMP CC[C@@H](C)[NH2+]CC[NH2+][C@@H]1CC1(C)C 45137963 573955891 /nfs/dbraw/zinc/95/58/91/573955891.db2.gz RTEWQVRNMMBHFZ-NXEZZACHSA-N 2 1 184.327 1.763 10 0 ADAEMP CC[C@@H](C)[N@@H+](CCC(N)=[NH2+])C(C)C 42529756 573963359 /nfs/dbraw/zinc/96/33/59/573963359.db2.gz MGOOGBBYTKNJDQ-SECBINFHSA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@H+]1CCCC1(C)C 127889613 573963416 /nfs/dbraw/zinc/96/34/16/573963416.db2.gz PUWHIMNQEHVFRD-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP CC[NH2+]C[C@H]1CC[C@H]1[N@@H+](C)C1CCC1 127897426 573963511 /nfs/dbraw/zinc/96/35/11/573963511.db2.gz MSJFZEPOVGMNKZ-ZYHUDNBSSA-N 2 1 196.338 1.859 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](CC)CC1CC1 127901716 573963622 /nfs/dbraw/zinc/96/36/22/573963622.db2.gz KBCHBLLYRHCENW-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP [NH3+]C/C=C/C[N@H+]1CCC[C@H]2CCC[C@H]21 85055210 573963656 /nfs/dbraw/zinc/96/36/56/573963656.db2.gz LYNOOKHKIHOOOS-NUYITTKVSA-N 2 1 194.322 1.766 10 0 ADAEMP C[C@H]1CC[C@H](C)[N@@H+](C/C=C/C[NH3+])C1 85055226 573963968 /nfs/dbraw/zinc/96/39/68/573963968.db2.gz LSHLOTOOANCRMY-SEUFLZDSSA-N 2 1 182.311 1.622 10 0 ADAEMP Cc1[nH+]cn(C/C=C/C[NH3+])c1C 85055316 573963988 /nfs/dbraw/zinc/96/39/88/573963988.db2.gz PGJNDLJQJZIRDU-ONEGZZNKSA-N 2 1 165.240 1.015 10 0 ADAEMP C[C@H]1CCC[N@@H+](C/C=C/C[NH3+])[C@@H]1C 85054991 573965597 /nfs/dbraw/zinc/96/55/97/573965597.db2.gz XGCBBLNVKFEMPC-MJKAUQOVSA-N 2 1 182.311 1.622 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@H+](C)[C@@H](C)COC 42518080 573965844 /nfs/dbraw/zinc/96/58/44/573965844.db2.gz ARGNSYGQYXHRPW-AEJSXWLSSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@H]([NH3+])[C@@H](C)[N@@H+](C)[C@@H](C)COC 42518080 573965848 /nfs/dbraw/zinc/96/58/48/573965848.db2.gz ARGNSYGQYXHRPW-AEJSXWLSSA-N 2 1 188.315 1.079 10 0 ADAEMP CC[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 127789568 573965874 /nfs/dbraw/zinc/96/58/74/573965874.db2.gz ASFNQNLCFHZVRD-ONGXEEELSA-N 2 1 184.327 1.844 10 0 ADAEMP CC[C@H](C)[N@@H+](CCC(N)=[NH2+])C(C)C 42529757 573965919 /nfs/dbraw/zinc/96/59/19/573965919.db2.gz MGOOGBBYTKNJDQ-VIFPVBQESA-N 2 1 185.315 1.821 10 0 ADAEMP CC[C@H]([NH3+])CC[N@H+]1CCC[C@@H]1C 127797801 573965942 /nfs/dbraw/zinc/96/59/42/573965942.db2.gz QMJRFGDCRGRRBT-UWVGGRQHSA-N 2 1 170.300 1.598 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1C/C=C/C[NH3+] 85055231 573966016 /nfs/dbraw/zinc/96/60/16/573966016.db2.gz KTUGEFRMCXQNGR-UFFNRZRYSA-N 2 1 182.311 1.622 10 0 ADAEMP CC[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C1CC1 127789836 573966271 /nfs/dbraw/zinc/96/62/71/573966271.db2.gz ASFNQNLCFHZVRD-GXSJLCMTSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)C[N@@H+](C[C@@H](C)C[NH3+])C1CC1 42554561 573977053 /nfs/dbraw/zinc/97/70/53/573977053.db2.gz UCZJFXKFPILCAQ-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@@H+](CCCC(N)=[NH2+])CC1CC1 42584220 573976747 /nfs/dbraw/zinc/97/67/47/573976747.db2.gz ROMUTBMKLPPQIF-UHFFFAOYSA-N 2 1 197.326 1.823 10 0 ADAEMP CC(C)([NH3+])C[C@@H]([NH3+])c1ccccn1 259257458 573984113 /nfs/dbraw/zinc/98/41/13/573984113.db2.gz IKYQAWIDEKQBOD-MRVPVSSYSA-N 2 1 179.267 1.209 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H]([NH3+])CC1(C)C 259257749 573984221 /nfs/dbraw/zinc/98/42/21/573984221.db2.gz FNBHUWDCLBSWQQ-SECBINFHSA-N 2 1 170.300 1.597 10 0 ADAEMP CC(C)[N@@H+](CC1CC1)[C@H](C)CC[NH3+] 42563304 573984239 /nfs/dbraw/zinc/98/42/39/573984239.db2.gz LNUOBRDFUUJEIX-SNVBAGLBSA-N 2 1 184.327 1.844 10 0 ADAEMP CC(C)[N@H+](CC1CC1)C[C@@H](C)C[NH3+] 42563227 573984405 /nfs/dbraw/zinc/98/44/05/573984405.db2.gz ZSHWPLPDXVDVDS-JTQLQIEISA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[NH2+]CCC[N@H+](C2(C)CC2)C1 123300420 573984693 /nfs/dbraw/zinc/98/46/93/573984693.db2.gz AELBTOQTAOOGPJ-JTQLQIEISA-N 2 1 182.311 1.470 10 0 ADAEMP CCCCC[C@@](C)(C[NH3+])[NH2+]C 87648333 573990992 /nfs/dbraw/zinc/99/09/92/573990992.db2.gz CXYMBHIKOUFERI-VIFPVBQESA-N 2 1 158.289 1.504 10 0 ADAEMP CC[N@H+]1CCC[C@@](C)(C(=[NH2+])NO)C1 238233143 573991033 /nfs/dbraw/zinc/99/10/33/573991033.db2.gz WEFYJQWIUUIEMT-SECBINFHSA-N 2 1 185.271 1.064 10 0 ADAEMP C[C@@H](CCC[NH3+])[N@@H+](C)C1CCC1 127908827 573995525 /nfs/dbraw/zinc/99/55/25/573995525.db2.gz FYUZAJJHDFJOMK-VIFPVBQESA-N 2 1 170.300 1.598 10 0 ADAEMP C[C@H]([NH2+]C1CC([NH3+])C1)c1ccco1 87651346 573995621 /nfs/dbraw/zinc/99/56/21/573995621.db2.gz FPENAWOTHXJYJC-UEJVZZJDSA-N 2 1 180.251 1.420 10 0 ADAEMP C[NH2+]C[C@@H]1CC[C@H]1[N@@H+](C)C1CCC1 127911241 573995686 /nfs/dbraw/zinc/99/56/86/573995686.db2.gz GGPKOAXTWLNYTF-GXSJLCMTSA-N 2 1 182.311 1.469 10 0 ADAEMP C[C@@H]([NH2+]C1CC([NH3+])C1)c1cccnc1 87651210 573995811 /nfs/dbraw/zinc/99/58/11/573995811.db2.gz WUXURBPMEPMPDU-MFAVDMRSSA-N 2 1 191.278 1.222 10 0 ADAEMP C[C@@H]1C[N@@H+](C2CC([NH3+])C2)C[C@@H]1C 87653636 574001106 /nfs/dbraw/zinc/00/11/06/574001106.db2.gz PEHPSCWXKYSTOO-BQKDNTBBSA-N 2 1 168.284 1.064 10 0 ADAEMP CC1(C)CCC[N@H+](C2CC([NH3+])C2)C1 87653576 574001125 /nfs/dbraw/zinc/00/11/25/574001125.db2.gz KJJIHJBFESVCCY-UHFFFAOYSA-N 2 1 182.311 1.598 10 0 ADAEMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1C[NH3+] 715112923 574001148 /nfs/dbraw/zinc/00/11/48/574001148.db2.gz BJOJAHAUHNQFIN-WOPDTQHZSA-N 2 1 196.338 1.702 10 0 ADAEMP C[C@H]1CCC[C@@H](C)[N@H+]1C1CC([NH3+])C1 87653153 574001164 /nfs/dbraw/zinc/00/11/64/574001164.db2.gz JTXCXNDVIIIZME-IXBNRNDTSA-N 2 1 182.311 1.739 10 0 ADAEMP CC[C@H]1CCCC[N@H+]1C1CC([NH3+])C1 87653190 574001305 /nfs/dbraw/zinc/00/13/05/574001305.db2.gz AVMDXVLHGTZBOX-YVNMAJEFSA-N 2 1 182.311 1.741 10 0 ADAEMP CC(C)[N@@H+]1CCC[C@@H]([C@H]2[NH2+]CCO2)C1 258198506 574001306 /nfs/dbraw/zinc/00/13/06/574001306.db2.gz VCVPYVJDLZMLQS-MNOVXSKESA-N 2 1 198.310 1.053 10 0 ADAEMP CC(C)[N@H+]1CCC[C@@H]([C@H]2[NH2+]CCO2)C1 258198506 574001312 /nfs/dbraw/zinc/00/13/12/574001312.db2.gz VCVPYVJDLZMLQS-MNOVXSKESA-N 2 1 198.310 1.053 10 0 ADAEMP CC[C@@H]1CCC[N@H+](C2CC([NH3+])C2)C1 87653254 574001389 /nfs/dbraw/zinc/00/13/89/574001389.db2.gz UFLNXTLCBPAAAC-KPPDAEKUSA-N 2 1 182.311 1.598 10 0 ADAEMP C[N@@H+](CC(C)(C)C)C1CC([NH3+])C1 87653447 574001468 /nfs/dbraw/zinc/00/14/68/574001468.db2.gz OOPUWWYNQUAGIH-UHFFFAOYSA-N 2 1 170.300 1.454 10 0 ADAEMP C[C@H]1CCC[N@@H+](C2CC([NH3+])C2)[C@@H]1C 87653471 574001542 /nfs/dbraw/zinc/00/15/42/574001542.db2.gz JIJIVXKFIGKKRC-IZUQBHJASA-N 2 1 182.311 1.597 10 0 ADAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC([NH3+])C1 87653413 574001602 /nfs/dbraw/zinc/00/16/02/574001602.db2.gz DABYKPLYLLTKMX-XKGSQUFQSA-N 2 1 196.338 1.987 10 0 ADAEMP C[N@H+](C1CCCCC1)C1CC([NH3+])C1 87653145 574001647 /nfs/dbraw/zinc/00/16/47/574001647.db2.gz XSXXOTABSVBXOH-UHFFFAOYSA-N 2 1 182.311 1.741 10 0 ADAEMP CCC1(CC)CC[N@H+](C2CC([NH3+])C2)C1 87653662 574001667 /nfs/dbraw/zinc/00/16/67/574001667.db2.gz ATLXRKSPYPPGOP-UHFFFAOYSA-N 2 1 196.338 1.988 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@H]1[NH3+] 85187242 574005696 /nfs/dbraw/zinc/00/56/96/574005696.db2.gz FDQAKJGSXWLRQR-HTQZYQBOSA-N 2 1 165.240 1.108 10 0 ADAEMP C[C@@H]([NH3+])Cc1c[nH+]cn1C1CC1 85189633 574005804 /nfs/dbraw/zinc/00/58/04/574005804.db2.gz HFMAFEVKBULHGB-SSDOTTSWSA-N 2 1 165.240 1.108 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@H]1C[C@H]1[NH3+] 85189116 574005876 /nfs/dbraw/zinc/00/58/76/574005876.db2.gz XBTCKTRJBWXQGG-JGVFFNPUSA-N 2 1 165.240 1.279 10 0 ADAEMP C[N@H+]1CCCC[C@@H]1C1([NH3+])CCCC1 258199517 574005926 /nfs/dbraw/zinc/00/59/26/574005926.db2.gz ZDKRFQIDKHJDHJ-SNVBAGLBSA-N 2 1 182.311 1.742 10 0 ADAEMP CCC[N@H+]1CCC[NH2+]CCC1(C)C 259272264 574007564 /nfs/dbraw/zinc/00/75/64/574007564.db2.gz GDIMPPDDKPIWFD-UHFFFAOYSA-N 2 1 184.327 1.860 10 0 ADAEMP CC(C)n1c[nH+]cc1[C@H]1C[C@@H]1C[NH3+] 85189256 574007687 /nfs/dbraw/zinc/00/76/87/574007687.db2.gz BXBLMVQLYVQZPO-BDAKNGLRSA-N 2 1 179.267 1.526 10 0 ADAEMP CCCn1c[nH+]cc1[C@H]1C[C@@H]1[NH3+] 85187240 574007899 /nfs/dbraw/zinc/00/78/99/574007899.db2.gz FDQAKJGSXWLRQR-YUMQZZPRSA-N 2 1 165.240 1.108 10 0 ADAEMP CC(C)n1c[nH+]cc1C[C@@H](C)[NH3+] 85187783 574007907 /nfs/dbraw/zinc/00/79/07/574007907.db2.gz SAEVCQUAGBFZNG-MRVPVSSYSA-N 2 1 167.256 1.354 10 0 ADAEMP CCn1c[nH+]cc1C[C@H]1CC[NH2+]C1 85185654 574007917 /nfs/dbraw/zinc/00/79/17/574007917.db2.gz UCLYTZFMPGPQAY-SECBINFHSA-N 2 1 179.267 1.055 10 0 ADAEMP C[N@H+]1CC[C@H](C[NH2+]CC2CCCC2)C1 48732709 574008211 /nfs/dbraw/zinc/00/82/11/574008211.db2.gz FDKRWMFFQVONMH-GFCCVEGCSA-N 2 1 196.338 1.718 10 0 ADAEMP CCn1c[nH+]cc1C[C@@H]1CC[NH2+]C1 85185651 574008222 /nfs/dbraw/zinc/00/82/22/574008222.db2.gz UCLYTZFMPGPQAY-VIFPVBQESA-N 2 1 179.267 1.055 10 0 ADAEMP CCn1c[nH+]cc1[C@@H]1C[C@H]1[C@@H](C)[NH3+] 85183323 574008254 /nfs/dbraw/zinc/00/82/54/574008254.db2.gz ZGRSFJAIZIIDCI-HRDYMLBCSA-N 2 1 179.267 1.354 10 0 ADAEMP CCn1c[nH+]cc1C1CC[NH2+]CC1 85185539 574008302 /nfs/dbraw/zinc/00/83/02/574008302.db2.gz RHPQWOVMKOIYIJ-UHFFFAOYSA-N 2 1 179.267 1.370 10 0 ADAEMP CCCn1c[nH+]cc1[C@H]1C[C@H]1[NH3+] 85187244 574008389 /nfs/dbraw/zinc/00/83/89/574008389.db2.gz FDQAKJGSXWLRQR-JGVFFNPUSA-N 2 1 165.240 1.108 10 0 ADAEMP CC(C)n1c[nH+]cc1C[C@H](C)[NH3+] 85187785 574008625 /nfs/dbraw/zinc/00/86/25/574008625.db2.gz SAEVCQUAGBFZNG-QMMMGPOBSA-N 2 1 167.256 1.354 10 0 ADAEMP CCCn1c[nH+]cc1[C@@H]1C[C@@H]1[NH3+] 85187238 574008638 /nfs/dbraw/zinc/00/86/38/574008638.db2.gz FDQAKJGSXWLRQR-SFYZADRCSA-N 2 1 165.240 1.108 10 0 ADAEMP NC[C@@H]([NH3+])c1csc(C(F)F)c1 104506795 574020459 /nfs/dbraw/zinc/02/04/59/574020459.db2.gz YOGAPNWLGBPISI-RXMQYKEDSA-N 2 1 192.234 1.644 10 0 ADAEMP C[N@H+]1CC[C@@H](CC[C@@H]2CC[NH2+]C2)C1 259277438 574023789 /nfs/dbraw/zinc/02/37/89/574023789.db2.gz YQLFRAFEMXVZEQ-GHMZBOCLSA-N 2 1 182.311 1.328 10 0 ADAEMP CC(C)C[N@@H+]1C2CC(C2)[C@@H]1C[NH3+] 258524293 574023842 /nfs/dbraw/zinc/02/38/42/574023842.db2.gz MRSYVNGZRXMJIW-RTBKNWGFSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)C[N@H+]1C2CC(C2)[C@@H]1C[NH3+] 258524293 574023846 /nfs/dbraw/zinc/02/38/46/574023846.db2.gz MRSYVNGZRXMJIW-RTBKNWGFSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)C[N@@H+]1C2CC(C2)[C@H]1C[NH3+] 258524295 574023953 /nfs/dbraw/zinc/02/39/53/574023953.db2.gz MRSYVNGZRXMJIW-UDNWOFFPSA-N 2 1 168.284 1.064 10 0 ADAEMP CC(C)C[N@H+]1C2CC(C2)[C@H]1C[NH3+] 258524295 574023956 /nfs/dbraw/zinc/02/39/56/574023956.db2.gz MRSYVNGZRXMJIW-UDNWOFFPSA-N 2 1 168.284 1.064 10 0 ADAEMP CC[C@H](C[NH2+]C)C[C@@H]1CC[N@@H+](C)C1 259279209 574024086 /nfs/dbraw/zinc/02/40/86/574024086.db2.gz JDSPSPHPHYWLGP-QWRGUYRKSA-N 2 1 184.327 1.574 10 0 ADAEMP CNc1cccc(NCC[NH+](C)C)[nH+]1 87807397 574039173 /nfs/dbraw/zinc/03/91/73/574039173.db2.gz LTRDXNSFMHVVIK-UHFFFAOYSA-N 2 1 194.282 1.097 10 0 ADAEMP C[NH2+][C@H]1CC[N@H+](C2CC2)C1(C)C 259444403 574039581 /nfs/dbraw/zinc/03/95/81/574039581.db2.gz OUZZRTLENMNSMP-VIFPVBQESA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+][C@H]1CC[N@@H+](C2CC2)C1(C)C 259444403 574039582 /nfs/dbraw/zinc/03/95/82/574039582.db2.gz OUZZRTLENMNSMP-VIFPVBQESA-N 2 1 168.284 1.221 10 0 ADAEMP C[NH2+]C[C@H]1C[N@H+](C2CC2)CCC1(C)C 259292862 574039730 /nfs/dbraw/zinc/03/97/30/574039730.db2.gz PDQSVWMBMBGYED-JTQLQIEISA-N 2 1 196.338 1.716 10 0 ADAEMP CCc1[nH+]ccn1CCCCC[NH3+] 49582097 574044553 /nfs/dbraw/zinc/04/45/53/574044553.db2.gz YQVHZRCPEUWIOC-UHFFFAOYSA-N 2 1 181.283 1.575 10 0 ADAEMP C[N@@H+](CCCCC[NH3+])Cc1ccoc1 49580776 574045125 /nfs/dbraw/zinc/04/51/25/574045125.db2.gz YELFJQXTQAHIJZ-UHFFFAOYSA-N 2 1 196.294 1.840 10 0 ADAEMP C[N@H+]1CC[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 112986283 574045004 /nfs/dbraw/zinc/04/50/04/574045004.db2.gz BGJRLHJTBVTVFA-BBBLOLIVSA-N 2 1 168.284 1.066 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]CC)[C@@H](C)C1 219778635 519862313 /nfs/dbraw/zinc/86/23/13/519862313.db2.gz JVXIYOBRSFYOSI-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[N@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 219778485 519862369 /nfs/dbraw/zinc/86/23/69/519862369.db2.gz NJVSPFQXNSLTQE-VHSXEESVSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 219778554 519863929 /nfs/dbraw/zinc/86/39/29/519863929.db2.gz NJVSPFQXNSLTQE-UWVGGRQHSA-N 2 1 170.300 1.326 10 0 ADAEMP CCC[N@H+]1CC[C@H]([NH2+]CC)[C@@H](C)C1 219778721 519864089 /nfs/dbraw/zinc/86/40/89/519864089.db2.gz JVXIYOBRSFYOSI-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCC[NH2+][C@@H]1CC[N@@H+](CC)[C@@H](C)C1 219776254 520022709 /nfs/dbraw/zinc/02/27/09/520022709.db2.gz BJAWYUUOTGPVGF-WDEREUQCSA-N 2 1 184.327 1.859 10 0 ADAEMP CCC[NH2+][C@H]1CC[N@@H+](CC)[C@@H](C)C1 219776324 520093742 /nfs/dbraw/zinc/09/37/42/520093742.db2.gz BJAWYUUOTGPVGF-QWRGUYRKSA-N 2 1 184.327 1.859 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 219746185 520118546 /nfs/dbraw/zinc/11/85/46/520118546.db2.gz GFIXYKWAEVBRHO-DTWKUNHWSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@@H]1CC[N@@H+](CC)[C@@H](C)C1 219776080 520118972 /nfs/dbraw/zinc/11/89/72/520118972.db2.gz UPDYRBLXXJCEPE-VHSXEESVSA-N 2 1 170.300 1.469 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 219746246 520216223 /nfs/dbraw/zinc/21/62/23/520216223.db2.gz GFIXYKWAEVBRHO-IUCAKERBSA-N 2 1 156.273 1.079 10 0 ADAEMP CC[NH2+][C@H]1CC[N@@H+](CC)[C@@H](C)C1 219776155 520216580 /nfs/dbraw/zinc/21/65/80/520216580.db2.gz UPDYRBLXXJCEPE-UWVGGRQHSA-N 2 1 170.300 1.469 10 0 ADAEMP CCCC[N@H+]1CC[C@H]([NH2+]C)[C@@H](C)C1 219749573 520597625 /nfs/dbraw/zinc/59/76/25/520597625.db2.gz NUISPPZIGDTQAU-QWRGUYRKSA-N 2 1 184.327 1.716 10 0 ADAEMP CCCC[N@H+]1CC[C@@H]([NH2+]C)[C@@H](C)C1 219749496 520595809 /nfs/dbraw/zinc/59/58/09/520595809.db2.gz NUISPPZIGDTQAU-WDEREUQCSA-N 2 1 184.327 1.716 10 0 ADAEMP CC1(C)C[N@H+](CCC2CCC2)C[C@H]1[NH3+] 306693756 629673586 /nfs/dbraw/zinc/67/35/86/629673586.db2.gz UBXLTJHJNALWLF-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[N@@H+](CCC2CCC2)C[C@H]1[NH3+] 306693756 629673588 /nfs/dbraw/zinc/67/35/88/629673588.db2.gz UBXLTJHJNALWLF-LLVKDONJSA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[N@H+](CCC2CCC2)C[C@@H]1[NH3+] 306693757 629675639 /nfs/dbraw/zinc/67/56/39/629675639.db2.gz UBXLTJHJNALWLF-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CC1(C)C[N@@H+](CCC2CCC2)C[C@@H]1[NH3+] 306693757 629675646 /nfs/dbraw/zinc/67/56/46/629675646.db2.gz UBXLTJHJNALWLF-NSHDSACASA-N 2 1 196.338 1.846 10 0 ADAEMP CCCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 306937376 629684950 /nfs/dbraw/zinc/68/49/50/629684950.db2.gz LANFSUAPZYWBIN-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 306937376 629684956 /nfs/dbraw/zinc/68/49/56/629684956.db2.gz LANFSUAPZYWBIN-VIFPVBQESA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 306937375 629685512 /nfs/dbraw/zinc/68/55/12/629685512.db2.gz LANFSUAPZYWBIN-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CCCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 306937375 629685519 /nfs/dbraw/zinc/68/55/19/629685519.db2.gz LANFSUAPZYWBIN-SECBINFHSA-N 2 1 170.300 1.456 10 0 ADAEMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1C[NH3+] 757160177 629716412 /nfs/dbraw/zinc/71/64/12/629716412.db2.gz QZHRAOHOZMIBBX-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]1C[NH3+] 757160177 629716424 /nfs/dbraw/zinc/71/64/24/629716424.db2.gz QZHRAOHOZMIBBX-WDEREUQCSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1C[NH3+] 757160170 629717283 /nfs/dbraw/zinc/71/72/83/629717283.db2.gz QZHRAOHOZMIBBX-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]1C[NH3+] 757160170 629717287 /nfs/dbraw/zinc/71/72/87/629717287.db2.gz QZHRAOHOZMIBBX-GHMZBOCLSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1C[NH3+] 757160171 629718762 /nfs/dbraw/zinc/71/87/62/629718762.db2.gz QZHRAOHOZMIBBX-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1C[NH3+] 757160171 629718783 /nfs/dbraw/zinc/71/87/83/629718783.db2.gz QZHRAOHOZMIBBX-MNOVXSKESA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1C[NH3+] 757160176 629720032 /nfs/dbraw/zinc/72/00/32/629720032.db2.gz QZHRAOHOZMIBBX-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]1C[NH3+] 757160176 629720053 /nfs/dbraw/zinc/72/00/53/629720053.db2.gz QZHRAOHOZMIBBX-QWRGUYRKSA-N 2 1 184.327 1.702 10 0 ADAEMP [NH3+]C[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 143831710 629728783 /nfs/dbraw/zinc/72/87/83/629728783.db2.gz JVUWQRBMHZAZRR-RYUDHWBXSA-N 2 1 190.290 1.481 10 0 ADAEMP CCc1[nH+]ccn1C[C@@H]1CC[C@H]([NH3+])C1 307054380 629738000 /nfs/dbraw/zinc/73/80/00/629738000.db2.gz WWCZYZDXSDQUIA-ZJUUUORDSA-N 2 1 193.294 1.573 10 0 ADAEMP CC1(C)C[N@@H+](CCC[NH3+])[C@@H]2CCC[C@@H]21 307139540 629744824 /nfs/dbraw/zinc/74/48/24/629744824.db2.gz AMVACVQIJMECEX-WDEREUQCSA-N 2 1 196.338 1.846 10 0 ADAEMP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 307221443 629754002 /nfs/dbraw/zinc/75/40/02/629754002.db2.gz IUBSDXCPPLQHQB-KXNHARMFSA-N 2 1 196.338 1.844 10 0 ADAEMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]1C 307221442 629754813 /nfs/dbraw/zinc/75/48/13/629754813.db2.gz IUBSDXCPPLQHQB-KKOKHZNYSA-N 2 1 196.338 1.844 10 0 ADAEMP CCCC[N@@H+](C)CCC[NH+](C)C 41168597 629773975 /nfs/dbraw/zinc/77/39/75/629773975.db2.gz SXKNKPONGFIHCB-UHFFFAOYSA-N 2 1 172.316 1.670 10 0 ADAEMP CC[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85014770 629782609 /nfs/dbraw/zinc/78/26/09/629782609.db2.gz RYMWMZZDRFHDAZ-WOPDTQHZSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1CCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85014765 629785518 /nfs/dbraw/zinc/78/55/18/629785518.db2.gz HRQWDDFOTCAHMA-AXFHLTTASA-N 2 1 182.311 1.598 10 0 ADAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]([NH3+])C1 85014264 629786327 /nfs/dbraw/zinc/78/63/27/629786327.db2.gz SRVGGJURLVTFKX-TUAOUCFPSA-N 2 1 196.338 1.988 10 0 ADAEMP C/C=C/C[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 307642712 629800534 /nfs/dbraw/zinc/80/05/34/629800534.db2.gz KKICZHYCEQKVHS-KEQABLDBSA-N 2 1 194.322 1.777 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307692844 629804188 /nfs/dbraw/zinc/80/41/88/629804188.db2.gz USVIBMICVAMMBQ-SVNGYHJRSA-N 2 1 194.322 1.515 10 0 ADAEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C[C@@H]2C[C@@H]2C1 307692843 629804497 /nfs/dbraw/zinc/80/44/97/629804497.db2.gz USVIBMICVAMMBQ-HHHUOAJASA-N 2 1 194.322 1.515 10 0 ADAEMP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CCC1 309129098 629889011 /nfs/dbraw/zinc/88/90/11/629889011.db2.gz QQYBXEBJYCLEIA-MNOVXSKESA-N 2 1 196.338 1.988 10 0 ADAEMP CC(C)[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)C1CC1 309095324 629915190 /nfs/dbraw/zinc/91/51/90/629915190.db2.gz CNHCRIXJOYFQMG-MNOVXSKESA-N 2 1 196.338 1.987 10 0 ADAEMP C[N@H+]1C[C@@H]2CC[C@H](C1)C2[NH2+]C1CC1 924533255 629922372 /nfs/dbraw/zinc/92/23/72/629922372.db2.gz XKJAHPFYFWZOJG-SLHIUPAKSA-N 2 1 180.295 1.079 10 0 ADAEMP CC(C)CC[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 122295634 629996697 /nfs/dbraw/zinc/99/66/97/629996697.db2.gz WACDQGWGKYNDGM-NWDGAFQWSA-N 2 1 198.354 1.949 10 0 ADAEMP CC(C)CC[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 122295417 629998823 /nfs/dbraw/zinc/99/88/23/629998823.db2.gz WACDQGWGKYNDGM-VXGBXAGGSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+][C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1C 219776900 522396454 /nfs/dbraw/zinc/39/64/54/522396454.db2.gz JZXRKTDYCWWMAX-WDEREUQCSA-N 2 1 184.327 1.572 10 0 ADAEMP CC1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CCC1 308564349 630016477 /nfs/dbraw/zinc/01/64/77/630016477.db2.gz HAVYXBANZWYKAE-LLVKDONJSA-N 2 1 196.338 1.847 10 0 ADAEMP 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232938648 630821587 /nfs/dbraw/zinc/82/15/87/630821587.db2.gz YYMUYBOMIAKJSM-QWRGUYRKSA-N 2 1 184.327 1.846 10 0 ADAEMP CCCCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232938135 630823031 /nfs/dbraw/zinc/82/30/31/630823031.db2.gz YYMUYBOMIAKJSM-MNOVXSKESA-N 2 1 184.327 1.846 10 0 ADAEMP CCC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233032104 630824411 /nfs/dbraw/zinc/82/44/11/630824411.db2.gz XRDUHXBOVFBBAV-ZJUUUORDSA-N 2 1 170.300 1.184 10 0 ADAEMP CCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C 233014467 630824496 /nfs/dbraw/zinc/82/44/96/630824496.db2.gz XSWXNDAYOPIEQU-MNOVXSKESA-N 2 1 184.327 1.574 10 0 ADAEMP CCCC[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C 232959962 630824903 /nfs/dbraw/zinc/82/49/03/630824903.db2.gz LJBGABTWWHORQZ-NEPJUHHUSA-N 2 1 198.354 1.964 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H]1C 233460058 630827048 /nfs/dbraw/zinc/82/70/48/630827048.db2.gz XULCMPDWWBOTOL-NEPJUHHUSA-N 2 1 198.354 1.820 10 0 ADAEMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233336179 630828246 /nfs/dbraw/zinc/82/82/46/630828246.db2.gz FXOCHWYPCPNZCY-WOPDTQHZSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C(C)C 233486807 630828366 /nfs/dbraw/zinc/82/83/66/630828366.db2.gz YCXVEPRABIZMKG-MNOVXSKESA-N 2 1 184.327 1.572 10 0 ADAEMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 233830248 630828767 /nfs/dbraw/zinc/82/87/67/630828767.db2.gz WJUWSSQMBHNWGT-UTUOFQBUSA-N 2 1 198.354 1.820 10 0 ADAEMP CC[N@@H+](CC1CC1)C[C@@H]1C[NH2+]C[C@H]1C 233456734 630829612 /nfs/dbraw/zinc/82/96/12/630829612.db2.gz VJSVZRBYIZJMRM-PWSUYJOCSA-N 2 1 196.338 1.574 10 0 ADAEMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C 233858246 630830870 /nfs/dbraw/zinc/83/08/70/630830870.db2.gz CEISZUHGDAMUEB-UTUOFQBUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 251776611 630834384 /nfs/dbraw/zinc/83/43/84/630834384.db2.gz ITMKRUAOTHZBEU-SDDRHHMPSA-N 2 1 198.354 1.949 10 0 ADAEMP C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 85015024 630858818 /nfs/dbraw/zinc/85/88/18/630858818.db2.gz FEGLCDYASZZKDP-AXFHLTTASA-N 2 1 182.311 1.456 10 0 ADAEMP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C(C)C 62911071 630885078 /nfs/dbraw/zinc/88/50/78/630885078.db2.gz ADFYDAQNRKZBCB-LLVKDONJSA-N 2 1 184.327 1.716 10 0 ADAEMP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)C(C)C 62911072 630885863 /nfs/dbraw/zinc/88/58/63/630885863.db2.gz ADFYDAQNRKZBCB-NSHDSACASA-N 2 1 184.327 1.716 10 0 ADAEMP CC1(C)C[C@@]1(C)C[NH2+][C@@H]1CC[NH2+]C1 701983427 630888273 /nfs/dbraw/zinc/88/82/73/630888273.db2.gz HYNFQDAMGQTUGB-KOLCDFICSA-N 2 1 182.311 1.374 10 0 ADAEMP CC1(C)C[C@]1(C)C[NH2+][C@@H]1CC[NH2+]C1 701983430 630888985 /nfs/dbraw/zinc/88/89/85/630888985.db2.gz HYNFQDAMGQTUGB-MWLCHTKSSA-N 2 1 182.311 1.374 10 0 ADAEMP CC1(C)C[C@@]1(C)C[NH2+][C@H]1CC[NH2+]C1 701983432 630889238 /nfs/dbraw/zinc/88/92/38/630889238.db2.gz HYNFQDAMGQTUGB-ONGXEEELSA-N 2 1 182.311 1.374 10 0 ADAEMP CC1(C)C[C@]1(C)C[NH2+][C@H]1CC[NH2+]C1 701983425 630889466 /nfs/dbraw/zinc/88/94/66/630889466.db2.gz HYNFQDAMGQTUGB-GXSJLCMTSA-N 2 1 182.311 1.374 10 0 ADAEMP CC12CC(C[N@H+]1CCC[NH2+]C1CC1)C2 923398995 630898358 /nfs/dbraw/zinc/89/83/58/630898358.db2.gz PHCAPIJSXQMMTI-UHFFFAOYSA-N 2 1 194.322 1.613 10 0 ADAEMP C[C@@H]1C[N@@H+](CCCF)CC[C@H]1C[NH3+] 923496676 630899001 /nfs/dbraw/zinc/89/90/01/630899001.db2.gz IKQTUIWCUDEMHG-ZJUUUORDSA-N 2 1 188.290 1.263 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1C[NH3+] 923497541 630901010 /nfs/dbraw/zinc/90/10/10/630901010.db2.gz MATFIRXFXGYBSQ-GXSJLCMTSA-N 2 1 182.311 1.313 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1C[NH3+] 923494383 630899386 /nfs/dbraw/zinc/89/93/86/630899386.db2.gz MKRQNKINWPUPAG-ZYHUDNBSSA-N 2 1 196.338 1.703 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 923509306 630899444 /nfs/dbraw/zinc/89/94/44/630899444.db2.gz PHBDUIWTFQZEJK-NXEZZACHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1C[NH3+] 923496668 630899459 /nfs/dbraw/zinc/89/94/59/630899459.db2.gz IKQTUIWCUDEMHG-NXEZZACHSA-N 2 1 188.290 1.263 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1C[NH3+] 923497542 630901674 /nfs/dbraw/zinc/90/16/74/630901674.db2.gz MATFIRXFXGYBSQ-KOLCDFICSA-N 2 1 182.311 1.313 10 0 ADAEMP CC(C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 923509308 630899909 /nfs/dbraw/zinc/89/99/09/630899909.db2.gz PHBDUIWTFQZEJK-VHSXEESVSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1C[NH3+] 923497544 630900023 /nfs/dbraw/zinc/90/00/23/630900023.db2.gz MATFIRXFXGYBSQ-ONGXEEELSA-N 2 1 182.311 1.313 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 923498538 630900105 /nfs/dbraw/zinc/90/01/05/630900105.db2.gz OOGCDHCACNFOLX-GARJFASQSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1C[NH3+] 923494380 630900127 /nfs/dbraw/zinc/90/01/27/630900127.db2.gz MKRQNKINWPUPAG-CMPLNLGQSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1C[NH3+] 923497543 630900413 /nfs/dbraw/zinc/90/04/13/630900413.db2.gz MATFIRXFXGYBSQ-MWLCHTKSSA-N 2 1 182.311 1.313 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 923498540 630900744 /nfs/dbraw/zinc/90/07/44/630900744.db2.gz OOGCDHCACNFOLX-VWYCJHECSA-N 2 1 184.327 1.702 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 923498537 630900782 /nfs/dbraw/zinc/90/07/82/630900782.db2.gz OOGCDHCACNFOLX-DCAQKATOSA-N 2 1 184.327 1.702 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 923509307 630900956 /nfs/dbraw/zinc/90/09/56/630900956.db2.gz PHBDUIWTFQZEJK-UWVGGRQHSA-N 2 1 170.300 1.312 10 0 ADAEMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1C[NH3+] 923494382 630901203 /nfs/dbraw/zinc/90/12/03/630901203.db2.gz MKRQNKINWPUPAG-PWSUYJOCSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[N@@H+](CCCF)CC[C@H]1C[NH3+] 923496673 630901578 /nfs/dbraw/zinc/90/15/78/630901578.db2.gz IKQTUIWCUDEMHG-UWVGGRQHSA-N 2 1 188.290 1.263 10 0 ADAEMP CC(C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 923509309 630901748 /nfs/dbraw/zinc/90/17/48/630901748.db2.gz PHBDUIWTFQZEJK-ZJUUUORDSA-N 2 1 170.300 1.312 10 0 ADAEMP CC[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 923498539 630901848 /nfs/dbraw/zinc/90/18/48/630901848.db2.gz OOGCDHCACNFOLX-OUAUKWLOSA-N 2 1 184.327 1.702 10 0 ADAEMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1C[NH3+] 923494381 630901862 /nfs/dbraw/zinc/90/18/62/630901862.db2.gz MKRQNKINWPUPAG-JQWIXIFHSA-N 2 1 196.338 1.703 10 0 ADAEMP C[C@H]1C[N@@H+](CCCF)CC[C@@H]1C[NH3+] 923496674 630901942 /nfs/dbraw/zinc/90/19/42/630901942.db2.gz IKQTUIWCUDEMHG-VHSXEESVSA-N 2 1 188.290 1.263 10 0 ADAEMP C1CC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CC1 925492473 630998849 /nfs/dbraw/zinc/99/88/49/630998849.db2.gz GVAVHTVCMLJMOZ-VIFPVBQESA-N 2 1 166.268 1.023 10 0 ADAEMP C1CC2(C1)[NH2+]CC[C@H]2[NH2+]C1CC1 925492466 630999253 /nfs/dbraw/zinc/99/92/53/630999253.db2.gz GVAVHTVCMLJMOZ-SECBINFHSA-N 2 1 166.268 1.023 10 0 ADAEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC1(F)CC1)C2 873229461 631007634 /nfs/dbraw/zinc/00/76/34/631007634.db2.gz ZRTBSWFHDNJISH-VHSXEESVSA-N 2 1 198.285 1.030 10 0 ADAEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC1(F)CC1)C2 873229461 631007636 /nfs/dbraw/zinc/00/76/36/631007636.db2.gz ZRTBSWFHDNJISH-VHSXEESVSA-N 2 1 198.285 1.030 10 0 ADAEMP C1=C[C@@H]([NH2+]CC23CC(C[NH2+]2)C3)CC1 873213608 631007907 /nfs/dbraw/zinc/00/79/07/631007907.db2.gz JCSXKJRNGIYUOL-HSOILSAZSA-N 2 1 178.279 1.047 10 0 ADAEMP C1=C[C@H]([NH2+]CC23CC(C[NH2+]2)C3)CC1 873213609 631009044 /nfs/dbraw/zinc/00/90/44/631009044.db2.gz JCSXKJRNGIYUOL-YVNMAJEFSA-N 2 1 178.279 1.047 10 0 ADAEMP CCCC[NH2+][C@H]1C[N@H+]2CCC[C@H]1C2 924531588 631036687 /nfs/dbraw/zinc/03/66/87/631036687.db2.gz MBLHOUJHXRBOIC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP CCCC[NH2+][C@H]1C[N@@H+]2CCC[C@H]1C2 924531588 631036692 /nfs/dbraw/zinc/03/66/92/631036692.db2.gz MBLHOUJHXRBOIC-QWRGUYRKSA-N 2 1 182.311 1.470 10 0 ADAEMP C[N@H+]1C[C@@H]2CC[C@H](C1)C2[NH2+]CC1CC1 924629187 631039228 /nfs/dbraw/zinc/03/92/28/631039228.db2.gz PFARENVNELOMIC-FOSCPWQOSA-N 2 1 194.322 1.326 10 0 ADAEMP C[N@H+]1C[C@@H]2CC[C@H](C1)C2[NH2+]C1CCC1 925375734 631042464 /nfs/dbraw/zinc/04/24/64/631042464.db2.gz GDIOJFICWYKCBG-DHHPTOIESA-N 2 1 194.322 1.469 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 925605048 631042900 /nfs/dbraw/zinc/04/29/00/631042900.db2.gz ODMISQOLBOGPGL-DDHJBXDOSA-N 2 1 196.338 1.905 10 0 ADAEMP C1CCC2(C1)[NH2+]CC[C@H]2[NH2+]C1CC1 925496404 631043774 /nfs/dbraw/zinc/04/37/74/631043774.db2.gz YSKBKCHUZKAJGS-SNVBAGLBSA-N 2 1 180.295 1.413 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C 925605052 631043852 /nfs/dbraw/zinc/04/38/52/631043852.db2.gz ODMISQOLBOGPGL-WHOHXGKFSA-N 2 1 196.338 1.905 10 0 ADAEMP C1CCC2(C1)[NH2+]CC[C@@H]2[NH2+]C1CC1 925496403 631044147 /nfs/dbraw/zinc/04/41/47/631044147.db2.gz YSKBKCHUZKAJGS-JTQLQIEISA-N 2 1 180.295 1.413 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C 925605050 631044808 /nfs/dbraw/zinc/04/48/08/631044808.db2.gz ODMISQOLBOGPGL-IRCOFANPSA-N 2 1 196.338 1.905 10 0 ADAEMP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C 925605054 631045321 /nfs/dbraw/zinc/04/53/21/631045321.db2.gz ODMISQOLBOGPGL-WISYIIOYSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC1(C)C 925687199 631046585 /nfs/dbraw/zinc/04/65/85/631046585.db2.gz ZVUVRVLAFYBUJB-UTLUCORTSA-N 2 1 182.311 1.515 10 0 ADAEMP CCC1([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 925681090 631047332 /nfs/dbraw/zinc/04/73/32/631047332.db2.gz WAUGBBPUXVKJDZ-JTQLQIEISA-N 2 1 194.322 1.803 10 0 ADAEMP CCC1([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 925681091 631048176 /nfs/dbraw/zinc/04/81/76/631048176.db2.gz WAUGBBPUXVKJDZ-SNVBAGLBSA-N 2 1 194.322 1.803 10 0 ADAEMP C[C@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC1(C)C 925687198 631048652 /nfs/dbraw/zinc/04/86/52/631048652.db2.gz ZVUVRVLAFYBUJB-BBBLOLIVSA-N 2 1 182.311 1.515 10 0 ADAEMP C1=C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 925709597 631049287 /nfs/dbraw/zinc/04/92/87/631049287.db2.gz HCDGNGGJDWLFKY-GHMZBOCLSA-N 2 1 192.306 1.579 10 0 ADAEMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CC12CC2 925702393 631049447 /nfs/dbraw/zinc/04/94/47/631049447.db2.gz CHSQIMBCYXJDKX-RKDXNWHRSA-N 2 1 180.295 1.269 10 0 ADAEMP C/C=C\C[NH2+][C@H]1CC[NH2+]C12CCCC2 925716267 631049971 /nfs/dbraw/zinc/04/99/71/631049971.db2.gz BVOHXUXBSHFKID-QUCGXOGASA-N 2 1 194.322 1.827 10 0 ADAEMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CC12CC2 925702390 631050008 /nfs/dbraw/zinc/05/00/08/631050008.db2.gz CHSQIMBCYXJDKX-BDAKNGLRSA-N 2 1 180.295 1.269 10 0 ADAEMP C1=C[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 925709599 631050037 /nfs/dbraw/zinc/05/00/37/631050037.db2.gz HCDGNGGJDWLFKY-QWRGUYRKSA-N 2 1 192.306 1.579 10 0 ADAEMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CC12CC2 925702392 631050384 /nfs/dbraw/zinc/05/03/84/631050384.db2.gz CHSQIMBCYXJDKX-IUCAKERBSA-N 2 1 180.295 1.269 10 0 ADAEMP C1=C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 925709601 631050440 /nfs/dbraw/zinc/05/04/40/631050440.db2.gz HCDGNGGJDWLFKY-WDEREUQCSA-N 2 1 192.306 1.579 10 0 ADAEMP C/C=C/C[NH2+][C@H]1CC[NH2+]C12CCCC2 925716268 631050541 /nfs/dbraw/zinc/05/05/41/631050541.db2.gz BVOHXUXBSHFKID-VUDBWIFFSA-N 2 1 194.322 1.827 10 0 ADAEMP C/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 925716266 631051004 /nfs/dbraw/zinc/05/10/04/631051004.db2.gz BVOHXUXBSHFKID-OTDNITJGSA-N 2 1 194.322 1.827 10 0 ADAEMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CC12CC2 925702391 631051035 /nfs/dbraw/zinc/05/10/35/631051035.db2.gz CHSQIMBCYXJDKX-DTWKUNHWSA-N 2 1 180.295 1.269 10 0 ADAEMP C/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCCC2 925716165 631051062 /nfs/dbraw/zinc/05/10/62/631051062.db2.gz BVOHXUXBSHFKID-KXMPLOMGSA-N 2 1 194.322 1.827 10 0 ADAEMP C1=C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 925709598 631051103 /nfs/dbraw/zinc/05/11/03/631051103.db2.gz HCDGNGGJDWLFKY-MNOVXSKESA-N 2 1 192.306 1.579 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC12CCC2 925782291 631052054 /nfs/dbraw/zinc/05/20/54/631052054.db2.gz FDFLYGHHSFHOCC-MXWKQRLJSA-N 2 1 194.322 1.517 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC1(C)C 925786265 631052633 /nfs/dbraw/zinc/05/26/33/631052633.db2.gz UAKNIPRQYXPUAQ-OPRDCNLKSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC1(C)C 925786264 631053841 /nfs/dbraw/zinc/05/38/41/631053841.db2.gz UAKNIPRQYXPUAQ-BBBLOLIVSA-N 2 1 182.311 1.373 10 0 ADAEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC12CCC2 925782290 631054119 /nfs/dbraw/zinc/05/41/19/631054119.db2.gz FDFLYGHHSFHOCC-GMTAPVOTSA-N 2 1 194.322 1.517 10 0 ADAEMP C1C[C@H]([NH2+]CC2(CC3CC3)CC2)C[NH2+]1 925734589 631055158 /nfs/dbraw/zinc/05/51/58/631055158.db2.gz SRWVFWJKUXUWRA-NSHDSACASA-N 2 1 194.322 1.518 10 0 ADAEMP CC(C)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931430613 631123869 /nfs/dbraw/zinc/12/38/69/631123869.db2.gz CXZXILDWWCQNHC-NWDGAFQWSA-N 2 1 196.338 1.526 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931280447 631121746 /nfs/dbraw/zinc/12/17/46/631121746.db2.gz GDZNOVPKGZPKGQ-OHBODLIOSA-N 2 1 194.322 1.277 10 0 ADAEMP C[C@@H](C1CC1)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280447 631121749 /nfs/dbraw/zinc/12/17/49/631121749.db2.gz GDZNOVPKGZPKGQ-OHBODLIOSA-N 2 1 194.322 1.277 10 0 ADAEMP C[C@@H](C1CC1)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280447 631121752 /nfs/dbraw/zinc/12/17/52/631121752.db2.gz GDZNOVPKGZPKGQ-OHBODLIOSA-N 2 1 194.322 1.277 10 0 ADAEMP CCC[N@H+]1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 931307495 631121960 /nfs/dbraw/zinc/12/19/60/631121960.db2.gz NXHMBLIYFVAURQ-TXEJJXNPSA-N 2 1 196.338 1.670 10 0 ADAEMP CCC[N@@H+]1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 931307495 631121964 /nfs/dbraw/zinc/12/19/64/631121964.db2.gz NXHMBLIYFVAURQ-TXEJJXNPSA-N 2 1 196.338 1.670 10 0 ADAEMP CCC[NH+]1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 931307495 631121967 /nfs/dbraw/zinc/12/19/67/631121967.db2.gz NXHMBLIYFVAURQ-TXEJJXNPSA-N 2 1 196.338 1.670 10 0 ADAEMP CCC[NH+]1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 931307495 631121970 /nfs/dbraw/zinc/12/19/70/631121970.db2.gz NXHMBLIYFVAURQ-TXEJJXNPSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 931305633 631122034 /nfs/dbraw/zinc/12/20/34/631122034.db2.gz FVQFXPFLYRITCJ-QWRGUYRKSA-N 2 1 182.311 1.280 10 0 ADAEMP CC(C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 931309930 631122090 /nfs/dbraw/zinc/12/20/90/631122090.db2.gz VFCFDVXWXUOCME-RYUDHWBXSA-N 2 1 196.338 1.668 10 0 ADAEMP C[C@H](C1CC1)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931280449 631122197 /nfs/dbraw/zinc/12/21/97/631122197.db2.gz GDZNOVPKGZPKGQ-YJQGPUDQSA-N 2 1 194.322 1.277 10 0 ADAEMP C[C@H](C1CC1)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280449 631122200 /nfs/dbraw/zinc/12/22/00/631122200.db2.gz GDZNOVPKGZPKGQ-YJQGPUDQSA-N 2 1 194.322 1.277 10 0 ADAEMP C[C@H](C1CC1)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280449 631122201 /nfs/dbraw/zinc/12/22/01/631122201.db2.gz GDZNOVPKGZPKGQ-YJQGPUDQSA-N 2 1 194.322 1.277 10 0 ADAEMP CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 931307496 631122312 /nfs/dbraw/zinc/12/23/12/631122312.db2.gz NXHMBLIYFVAURQ-VXGBXAGGSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1CCC(C)([NH+](C)C)CC1 931349959 631122413 /nfs/dbraw/zinc/12/24/13/631122413.db2.gz CDPOJHPIETVBSQ-UHFFFAOYSA-N 2 1 170.300 1.422 10 0 ADAEMP CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 931307494 631122422 /nfs/dbraw/zinc/12/24/22/631122422.db2.gz NXHMBLIYFVAURQ-RYUDHWBXSA-N 2 1 196.338 1.670 10 0 ADAEMP CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 931305631 631122749 /nfs/dbraw/zinc/12/27/49/631122749.db2.gz FVQFXPFLYRITCJ-GHMZBOCLSA-N 2 1 182.311 1.280 10 0 ADAEMP CC(C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 931309932 631122838 /nfs/dbraw/zinc/12/28/38/631122838.db2.gz VFCFDVXWXUOCME-VXGBXAGGSA-N 2 1 196.338 1.668 10 0 ADAEMP CC[N@H+]1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 931305632 631123153 /nfs/dbraw/zinc/12/31/53/631123153.db2.gz FVQFXPFLYRITCJ-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CC[N@@H+]1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 931305632 631123156 /nfs/dbraw/zinc/12/31/56/631123156.db2.gz FVQFXPFLYRITCJ-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CC[NH+]1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 931305632 631123159 /nfs/dbraw/zinc/12/31/59/631123159.db2.gz FVQFXPFLYRITCJ-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CC[NH+]1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 931305632 631123162 /nfs/dbraw/zinc/12/31/62/631123162.db2.gz FVQFXPFLYRITCJ-PHIMTYICSA-N 2 1 182.311 1.280 10 0 ADAEMP CC(C)[N@H+]1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 931309931 631123229 /nfs/dbraw/zinc/12/32/29/631123229.db2.gz VFCFDVXWXUOCME-TXEJJXNPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC(C)[N@@H+]1C[C@]2(C)C[NH+](C)C[C@]2(C)C1 931309931 631123230 /nfs/dbraw/zinc/12/32/30/631123230.db2.gz VFCFDVXWXUOCME-TXEJJXNPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC(C)[NH+]1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 931309931 631123231 /nfs/dbraw/zinc/12/32/31/631123231.db2.gz VFCFDVXWXUOCME-TXEJJXNPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC(C)[NH+]1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 931309931 631123232 /nfs/dbraw/zinc/12/32/32/631123232.db2.gz VFCFDVXWXUOCME-TXEJJXNPSA-N 2 1 196.338 1.668 10 0 ADAEMP CC(C)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 931430613 631123871 /nfs/dbraw/zinc/12/38/71/631123871.db2.gz CXZXILDWWCQNHC-NWDGAFQWSA-N 2 1 196.338 1.526 10 0 ADAEMP CC(C)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 931430613 631123876 /nfs/dbraw/zinc/12/38/76/631123876.db2.gz CXZXILDWWCQNHC-NWDGAFQWSA-N 2 1 196.338 1.526 10 0 ADAEMP CCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931432695 631124550 /nfs/dbraw/zinc/12/45/50/631124550.db2.gz AIBYHKATOKOVNP-WDEREUQCSA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 931432695 631124551 /nfs/dbraw/zinc/12/45/51/631124551.db2.gz AIBYHKATOKOVNP-WDEREUQCSA-N 2 1 182.311 1.280 10 0 ADAEMP CCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 931432695 631124554 /nfs/dbraw/zinc/12/45/54/631124554.db2.gz AIBYHKATOKOVNP-WDEREUQCSA-N 2 1 182.311 1.280 10 0 ADAEMP CC(C)CC[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 251896291 631165661 /nfs/dbraw/zinc/16/56/61/631165661.db2.gz WACDQGWGKYNDGM-NEPJUHHUSA-N 2 1 198.354 1.949 10 0 ADAEMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 251776614 631164636 /nfs/dbraw/zinc/16/46/36/631164636.db2.gz ITMKRUAOTHZBEU-TUAOUCFPSA-N 2 1 198.354 1.949 10 0 ADAEMP C[NH2+]CC[N@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 252797807 631166363 /nfs/dbraw/zinc/16/63/63/631166363.db2.gz LKPRMGWXYAIDPL-JGPRNRPPSA-N 2 1 182.311 1.184 10 0 ADAEMP C[NH2+]CC[N@@H+](C)C[C@H]1C[C@@H]2C[C@@H]2C1 252797807 631166365 /nfs/dbraw/zinc/16/63/65/631166365.db2.gz LKPRMGWXYAIDPL-JGPRNRPPSA-N 2 1 182.311 1.184 10 0 ADAEMP CC[N@@H+](CCCC[NH3+])CC1CC1 68946356 1224175130 /nfs/dbraw/zinc/17/51/30/1224175130.db2.gz SFFVHWTYUHJSBJ-UHFFFAOYSA-N 2 1 170.300 1.457 10 0 ADAEMP C[N@H+]1CCC[C@H](n2cccc2C[NH3+])C1 82637125 1224177567 /nfs/dbraw/zinc/17/75/67/1224177567.db2.gz JKXATTWAGGTXPU-NSHDSACASA-N 2 1 193.294 1.214 10 0 ADAEMP C[N@H+]1CCC[C@@H](n2cccc2C[NH3+])C1 82637126 1224177927 /nfs/dbraw/zinc/17/79/27/1224177927.db2.gz JKXATTWAGGTXPU-LLVKDONJSA-N 2 1 193.294 1.214 10 0 ADAEMP C1C[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]2C1 126244893 1224183273 /nfs/dbraw/zinc/18/32/73/1224183273.db2.gz BVYXNKFGALWOLK-GRYCIOLGSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1 126249808 1224183481 /nfs/dbraw/zinc/18/34/81/1224183481.db2.gz LSOPCLMBFYYKBA-PHIMTYICSA-N 2 1 194.322 1.470 10 0 ADAEMP C1C[NH2+]C[C@H]([N@@H+]2CC3CCC2CC3)C1 306185092 1224245782 /nfs/dbraw/zinc/24/57/82/1224245782.db2.gz MDKSLADPJOFTEL-HTAVTVPLSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+]C[C@H]([N@H+]2CC3CCC2CC3)C1 306185092 1224245792 /nfs/dbraw/zinc/24/57/92/1224245792.db2.gz MDKSLADPJOFTEL-HTAVTVPLSA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@@H+]2CC3CCC2CC3)C1 306185093 1224246198 /nfs/dbraw/zinc/24/61/98/1224246198.db2.gz MDKSLADPJOFTEL-MCIGGMRASA-N 2 1 194.322 1.613 10 0 ADAEMP C1C[NH2+]C[C@@H]([N@H+]2CC3CCC2CC3)C1 306185093 1224246209 /nfs/dbraw/zinc/24/62/09/1224246209.db2.gz MDKSLADPJOFTEL-MCIGGMRASA-N 2 1 194.322 1.613 10 0 ADAEMP CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H]1C 306281110 1224250483 /nfs/dbraw/zinc/25/04/83/1224250483.db2.gz HFFVGCXQCUVUGK-IVZWLZJFSA-N 2 1 170.300 1.597 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]CC2CCCC2)C[NH2+]1 306614810 1224268436 /nfs/dbraw/zinc/26/84/36/1224268436.db2.gz OXESOJFBAXMUHN-JQWIXIFHSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C[NH2+]1 306614809 1224268458 /nfs/dbraw/zinc/26/84/58/1224268458.db2.gz OXESOJFBAXMUHN-CMPLNLGQSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]CC2CCCC2)C[NH2+]1 306614812 1224268493 /nfs/dbraw/zinc/26/84/93/1224268493.db2.gz OXESOJFBAXMUHN-ZYHUDNBSSA-N 2 1 196.338 1.907 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]CC2CCCC2)C[NH2+]1 306614811 1224268573 /nfs/dbraw/zinc/26/85/73/1224268573.db2.gz OXESOJFBAXMUHN-PWSUYJOCSA-N 2 1 196.338 1.907 10 0 ADAEMP Nc1[nH+]cccc1Nc1cc[nH+]cc1 306628583 1224269719 /nfs/dbraw/zinc/26/97/19/1224269719.db2.gz BUZMWKPTHSULMF-UHFFFAOYSA-N 2 1 186.218 1.802 10 0 ADAEMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC1CC1 306656232 1224271910 /nfs/dbraw/zinc/27/19/10/1224271910.db2.gz JCNMVFYSJXSDSR-PSASIEDQSA-N 2 1 168.284 1.208 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@H]([NH3+])CC1 307150762 1224278860 /nfs/dbraw/zinc/27/88/60/1224278860.db2.gz UMWGWKGJDVMZOX-NSHDSACASA-N 2 1 184.327 1.846 10 0 ADAEMP CC(C)CC[N@H+]1CCC[C@@H]([NH3+])CC1 307150761 1224278983 /nfs/dbraw/zinc/27/89/83/1224278983.db2.gz UMWGWKGJDVMZOX-LLVKDONJSA-N 2 1 184.327 1.846 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@H]([NH3+])CC1 307346778 1224283183 /nfs/dbraw/zinc/28/31/83/1224283183.db2.gz MGXUOVCUASUPTB-JTQLQIEISA-N 2 1 184.327 1.988 10 0 ADAEMP CCC(CC)[N@H+]1CCC[C@@H]([NH3+])CC1 307346779 1224283372 /nfs/dbraw/zinc/28/33/72/1224283372.db2.gz MGXUOVCUASUPTB-SNVBAGLBSA-N 2 1 184.327 1.988 10 0 ADAEMP C[C@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C[NH2+]1 307518876 1224286607 /nfs/dbraw/zinc/28/66/07/1224286607.db2.gz ZKXYHRRWUQJPIP-UWVGGRQHSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C[NH2+]1 307518875 1224286699 /nfs/dbraw/zinc/28/66/99/1224286699.db2.gz ZKXYHRRWUQJPIP-NXEZZACHSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)C2)C[NH2+]1 307518878 1224286804 /nfs/dbraw/zinc/28/68/04/1224286804.db2.gz ZKXYHRRWUQJPIP-ZJUUUORDSA-N 2 1 196.338 1.905 10 0 ADAEMP C[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C[NH2+]1 307518877 1224286933 /nfs/dbraw/zinc/28/69/33/1224286933.db2.gz ZKXYHRRWUQJPIP-VHSXEESVSA-N 2 1 196.338 1.905 10 0 ADAEMP [NH3+]CCCC[N@H+]1CCC2(CCC2)C1 380232728 1224318553 /nfs/dbraw/zinc/31/85/53/1224318553.db2.gz ASUCZAOQEOLFGR-UHFFFAOYSA-N 2 1 182.311 1.601 10 0 ADAEMP CCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 393211783 1224333355 /nfs/dbraw/zinc/33/33/55/1224333355.db2.gz JEGCNLLHZSREGR-LLVKDONJSA-N 2 1 184.327 1.990 10 0 ADAEMP CCCCC[N@H+]1CCC[C@H]([NH3+])CC1 393211784 1224333666 /nfs/dbraw/zinc/33/36/66/1224333666.db2.gz JEGCNLLHZSREGR-NSHDSACASA-N 2 1 184.327 1.990 10 0 ADAEMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H]1C[C@H]1C 389293272 538440686 /nfs/dbraw/zinc/44/06/86/538440686.db2.gz IWCZARDGJAQTGB-UTUOFQBUSA-N 2 1 198.354 1.962 10 0 ADAEMP CC[N@@H+](CC(C)C)C[C@H]1C[C@H]([NH3+])C1 675054365 538448607 /nfs/dbraw/zinc/44/86/07/538448607.db2.gz VARAQJVNXDVICC-XYPYZODXSA-N 2 1 184.327 1.702 10 0 ADAEMP C[N@@H+](C[C@H]1C[C@H]([NH3+])C1)C1CCCCC1 675054784 538448765 /nfs/dbraw/zinc/44/87/65/538448765.db2.gz ZBGDSXVEMUQELW-XYPYZODXSA-N 2 1 196.338 1.988 10 0 ADAEMP C[C@H]1C[C@@H](C)C[N@@H+](C[C@H]2C[C@H]([NH3+])C2)C1 675054513 538448923 /nfs/dbraw/zinc/44/89/23/538448923.db2.gz VYPKRYNENLRGEV-CDECOKDKSA-N 2 1 196.338 1.702 10 0 ADAEMP